From 36ee031e906270e93e832bdd8bf194a01338bdb2 Mon Sep 17 00:00:00 2001 From: mertcan <149396759+Mertcan-Puncist@users.noreply.github.com> Date: Fri, 18 Oct 2024 15:37:18 +0200 Subject: [PATCH 1/4] Improve coverage secondarystructure/AntibetaRMSD (#1125) * secondarystructure/AntibetaRMSD line 119 coverage test improved * Pulled tests to cover ParabetaRMSD from other branch --------- Co-authored-by: = --- .../rt-coverage-antibetarmsd/Makefile | 1 + .../rt-coverage-antibetarmsd/amyloid.pdb | 2522 +++ .../rt-coverage-antibetarmsd/amyloid.xyz | 15132 ++++++++++++++++ .../rt-coverage-antibetarmsd/colvar.reference | 7 + .../rt-coverage-antibetarmsd/config | 2 + .../rt-coverage-antibetarmsd/forces.reference | 7 + .../rt-coverage-antibetarmsd/plumed.dat | 15 + 7 files changed, 17686 insertions(+) create mode 100644 regtest/secondarystructure/rt-coverage-antibetarmsd/Makefile create mode 100644 regtest/secondarystructure/rt-coverage-antibetarmsd/amyloid.pdb create mode 100644 regtest/secondarystructure/rt-coverage-antibetarmsd/amyloid.xyz create mode 100644 regtest/secondarystructure/rt-coverage-antibetarmsd/colvar.reference create mode 100644 regtest/secondarystructure/rt-coverage-antibetarmsd/config create mode 100644 regtest/secondarystructure/rt-coverage-antibetarmsd/forces.reference create mode 100644 regtest/secondarystructure/rt-coverage-antibetarmsd/plumed.dat diff --git a/regtest/secondarystructure/rt-coverage-antibetarmsd/Makefile b/regtest/secondarystructure/rt-coverage-antibetarmsd/Makefile new file mode 100644 index 0000000000..3703b27cea --- /dev/null +++ b/regtest/secondarystructure/rt-coverage-antibetarmsd/Makefile @@ -0,0 +1 @@ +include ../../scripts/test.make diff --git a/regtest/secondarystructure/rt-coverage-antibetarmsd/amyloid.pdb b/regtest/secondarystructure/rt-coverage-antibetarmsd/amyloid.pdb new file mode 100644 index 0000000000..4b578c60d9 --- /dev/null +++ b/regtest/secondarystructure/rt-coverage-antibetarmsd/amyloid.pdb @@ -0,0 +1,2522 @@ +CRYST1 61.994 62.567 62.535 90.00 90.00 90.00 P 1 1 +ATOM 1 1HH3 ACE A 1 16.003 25.983 23.337 1.00 0.00 +ATOM 2 CH3 ACE A 1 16.553 26.393 24.177 1.00 0.00 +ATOM 3 2HH3 ACE A 1 17.623 26.493 23.977 1.00 0.00 +ATOM 4 3HH3 ACE A 1 16.523 25.743 25.058 1.00 0.00 +ATOM 5 C ACE A 1 15.903 27.713 24.527 1.00 0.00 +ATOM 6 O ACE A 1 15.973 28.703 23.808 1.00 0.00 +ATOM 7 N VAL A 2 15.243 27.713 25.698 1.00 0.00 +ATOM 8 H VAL A 2 15.443 26.903 26.267 1.00 0.00 +ATOM 9 CA VAL A 2 14.643 28.863 26.337 1.00 0.00 +ATOM 10 HA VAL A 2 13.793 29.203 25.747 1.00 0.00 +ATOM 11 CB VAL A 2 14.173 28.513 27.747 1.00 0.00 +ATOM 12 HB VAL A 2 13.653 29.433 28.008 1.00 0.00 +ATOM 13 CG1 VAL A 2 13.093 27.433 27.657 1.00 0.00 +ATOM 14 1HG1 VAL A 2 12.613 27.453 28.637 1.00 0.00 +ATOM 15 2HG1 VAL A 2 12.513 27.523 26.747 1.00 0.00 +ATOM 16 3HG1 VAL A 2 13.643 26.483 27.648 1.00 0.00 +ATOM 17 CG2 VAL A 2 15.233 28.033 28.727 1.00 0.00 +ATOM 18 1HG2 VAL A 2 14.863 28.083 29.758 1.00 0.00 +ATOM 19 2HG2 VAL A 2 15.443 26.983 28.517 1.00 0.00 +ATOM 20 3HG2 VAL A 2 16.073 28.713 28.637 1.00 0.00 +ATOM 21 C VAL A 2 15.543 30.093 26.387 1.00 0.00 +ATOM 22 O VAL A 2 15.003 31.183 26.567 1.00 0.00 +ATOM 23 N VAL A 3 16.873 30.113 26.227 1.00 0.00 +ATOM 24 H VAL A 3 17.313 29.213 26.087 1.00 0.00 +ATOM 25 CA VAL A 3 17.713 31.253 25.918 1.00 0.00 +ATOM 26 HA VAL A 3 17.363 31.933 26.698 1.00 0.00 +ATOM 27 CB VAL A 3 19.163 30.973 26.277 1.00 0.00 +ATOM 28 HB VAL A 3 19.843 31.813 26.177 1.00 0.00 +ATOM 29 CG1 VAL A 3 19.323 30.663 27.767 1.00 0.00 +ATOM 30 1HG1 VAL A 3 18.663 31.333 28.317 1.00 0.00 +ATOM 31 2HG1 VAL A 3 19.173 29.613 27.988 1.00 0.00 +ATOM 32 3HG1 VAL A 3 20.303 30.943 28.148 1.00 0.00 +ATOM 33 CG2 VAL A 3 19.713 29.923 25.317 1.00 0.00 +ATOM 34 1HG2 VAL A 3 20.803 29.873 25.358 1.00 0.00 +ATOM 35 2HG2 VAL A 3 19.293 28.963 25.608 1.00 0.00 +ATOM 36 3HG2 VAL A 3 19.273 30.053 24.337 1.00 0.00 +ATOM 37 C VAL A 3 17.633 31.823 24.508 1.00 0.00 +ATOM 38 O VAL A 3 18.233 32.813 24.117 1.00 0.00 +ATOM 39 N VAL A 4 16.883 31.243 23.567 1.00 0.00 +ATOM 40 H VAL A 4 16.443 30.353 23.777 1.00 0.00 +ATOM 41 CA VAL A 4 16.663 31.733 22.218 1.00 0.00 +ATOM 42 HA VAL A 4 16.773 32.813 22.267 1.00 0.00 +ATOM 43 CB VAL A 4 17.753 31.173 21.297 1.00 0.00 +ATOM 44 HB VAL A 4 18.633 31.593 21.777 1.00 0.00 +ATOM 45 CG1 VAL A 4 17.733 29.653 21.337 1.00 0.00 +ATOM 46 1HG1 VAL A 4 16.873 29.303 20.767 1.00 0.00 +ATOM 47 2HG1 VAL A 4 18.523 29.203 20.738 1.00 0.00 +ATOM 48 3HG1 VAL A 4 17.763 29.133 22.297 1.00 0.00 +ATOM 49 CG2 VAL A 4 17.703 31.733 19.878 1.00 0.00 +ATOM 50 1HG2 VAL A 4 18.313 31.133 19.198 1.00 0.00 +ATOM 51 2HG2 VAL A 4 16.653 31.723 19.587 1.00 0.00 +ATOM 52 3HG2 VAL A 4 17.943 32.793 19.817 1.00 0.00 +ATOM 53 C VAL A 4 15.233 31.463 21.767 1.00 0.00 +ATOM 54 O VAL A 4 14.613 32.453 21.378 1.00 0.00 +ATOM 55 N VAL A 5 14.663 30.283 21.997 1.00 0.00 +ATOM 56 H VAL A 5 15.133 29.523 22.468 1.00 0.00 +ATOM 57 CA VAL A 5 13.333 29.883 21.558 1.00 0.00 +ATOM 58 HA VAL A 5 12.753 30.763 21.267 1.00 0.00 +ATOM 59 CB VAL A 5 13.363 29.123 20.238 1.00 0.00 +ATOM 60 HB VAL A 5 12.373 29.063 19.777 1.00 0.00 +ATOM 61 CG1 VAL A 5 14.233 29.883 19.247 1.00 0.00 +ATOM 62 1HG1 VAL A 5 13.853 30.903 19.187 1.00 0.00 +ATOM 63 2HG1 VAL A 5 15.263 29.933 19.587 1.00 0.00 +ATOM 64 3HG1 VAL A 5 14.153 29.463 18.238 1.00 0.00 +ATOM 65 CG2 VAL A 5 13.963 27.723 20.218 1.00 0.00 +ATOM 66 1HG2 VAL A 5 13.883 27.363 19.187 1.00 0.00 +ATOM 67 2HG2 VAL A 5 15.013 27.693 20.497 1.00 0.00 +ATOM 68 3HG2 VAL A 5 13.333 27.083 20.837 1.00 0.00 +ATOM 69 C VAL A 5 12.493 29.073 22.527 1.00 0.00 +ATOM 70 O VAL A 5 12.983 28.613 23.558 1.00 0.00 +ATOM 71 N VAL A 6 11.193 28.933 22.238 1.00 0.00 +ATOM 72 H VAL A 6 10.793 29.363 21.418 1.00 0.00 +ATOM 73 CA VAL A 6 10.363 28.253 23.218 1.00 0.00 +ATOM 74 HA VAL A 6 10.963 27.483 23.707 1.00 0.00 +ATOM 75 CB VAL A 6 9.673 29.033 24.328 1.00 0.00 +ATOM 76 HB VAL A 6 9.223 28.323 25.027 1.00 0.00 +ATOM 77 CG1 VAL A 6 10.723 29.743 25.177 1.00 0.00 +ATOM 78 1HG1 VAL A 6 10.193 30.333 25.927 1.00 0.00 +ATOM 79 2HG1 VAL A 6 11.513 29.093 25.547 1.00 0.00 +ATOM 80 3HG1 VAL A 6 11.243 30.523 24.628 1.00 0.00 +ATOM 81 CG2 VAL A 6 8.523 29.943 23.898 1.00 0.00 +ATOM 82 1HG2 VAL A 6 7.853 30.063 24.758 1.00 0.00 +ATOM 83 2HG2 VAL A 6 8.863 30.953 23.687 1.00 0.00 +ATOM 84 3HG2 VAL A 6 7.923 29.493 23.108 1.00 0.00 +ATOM 85 C VAL A 6 9.313 27.453 22.448 1.00 0.00 +ATOM 86 O VAL A 6 8.573 26.683 23.058 1.00 0.00 +ATOM 87 N VAL A 7 9.123 27.473 21.128 1.00 0.00 +ATOM 88 H VAL A 7 9.683 28.093 20.558 1.00 0.00 +ATOM 89 CA VAL A 7 8.053 26.783 20.427 1.00 0.00 +ATOM 90 HA VAL A 7 7.943 25.753 20.767 1.00 0.00 +ATOM 91 CB VAL A 7 6.713 27.473 20.637 1.00 0.00 +ATOM 92 HB VAL A 7 6.423 27.493 21.698 1.00 0.00 +ATOM 93 CG1 VAL A 7 6.523 28.943 20.258 1.00 0.00 +ATOM 94 1HG1 VAL A 7 6.723 29.103 19.198 1.00 0.00 +ATOM 95 2HG1 VAL A 7 5.503 29.193 20.538 1.00 0.00 +ATOM 96 3HG1 VAL A 7 7.033 29.583 20.977 1.00 0.00 +ATOM 97 CG2 VAL A 7 5.523 26.673 20.117 1.00 0.00 +ATOM 98 1HG2 VAL A 7 5.393 26.763 19.047 1.00 0.00 +ATOM 99 2HG2 VAL A 7 5.663 25.643 20.437 1.00 0.00 +ATOM 100 3HG2 VAL A 7 4.583 27.063 20.517 1.00 0.00 +ATOM 101 C VAL A 7 8.463 26.773 18.968 1.00 0.00 +ATOM 102 O VAL A 7 9.073 27.743 18.517 1.00 0.00 +ATOM 103 N VAL A 8 8.173 25.713 18.218 1.00 0.00 +ATOM 104 H VAL A 8 7.873 24.893 18.747 1.00 0.00 +ATOM 105 CA VAL A 8 8.273 25.493 16.788 1.00 0.00 +ATOM 106 HA VAL A 8 8.243 26.493 16.358 1.00 0.00 +ATOM 107 CB VAL A 8 9.613 24.833 16.437 1.00 0.00 +ATOM 108 HB VAL A 8 10.483 25.383 16.788 1.00 0.00 +ATOM 109 CG1 VAL A 8 9.693 23.493 17.168 1.00 0.00 +ATOM 110 1HG1 VAL A 8 9.713 22.723 16.387 1.00 0.00 +ATOM 111 2HG1 VAL A 8 10.603 23.453 17.767 1.00 0.00 +ATOM 112 3HG1 VAL A 8 8.853 23.203 17.797 1.00 0.00 +ATOM 113 CG2 VAL A 8 9.913 24.783 14.948 1.00 0.00 +ATOM 114 1HG2 VAL A 8 10.943 24.423 14.927 1.00 0.00 +ATOM 115 2HG2 VAL A 8 9.283 24.103 14.378 1.00 0.00 +ATOM 116 3HG2 VAL A 8 9.853 25.803 14.567 1.00 0.00 +ATOM 117 C VAL A 8 7.173 24.773 16.027 1.00 0.00 +ATOM 118 O VAL A 8 6.813 25.133 14.907 1.00 0.00 +ATOM 119 N VAL A 9 6.393 23.963 16.758 1.00 0.00 +ATOM 120 H VAL A 9 6.723 23.843 17.707 1.00 0.00 +ATOM 121 CA VAL A 9 5.183 23.333 16.277 1.00 0.00 +ATOM 122 HA VAL A 9 4.843 23.793 15.347 1.00 0.00 +ATOM 123 CB VAL A 9 5.453 21.933 15.718 1.00 0.00 +ATOM 124 HB VAL A 9 4.523 21.503 15.337 1.00 0.00 +ATOM 125 CG1 VAL A 9 6.283 21.983 14.437 1.00 0.00 +ATOM 126 1HG1 VAL A 9 5.933 22.753 13.758 1.00 0.00 +ATOM 127 2HG1 VAL A 9 7.303 22.303 14.637 1.00 0.00 +ATOM 128 3HG1 VAL A 9 6.373 21.033 13.907 1.00 0.00 +ATOM 129 CG2 VAL A 9 6.143 20.863 16.558 1.00 0.00 +ATOM 130 1HG2 VAL A 9 5.623 20.593 17.477 1.00 0.00 +ATOM 131 2HG2 VAL A 9 6.183 19.953 15.968 1.00 0.00 +ATOM 132 3HG2 VAL A 9 7.173 21.173 16.738 1.00 0.00 +ATOM 133 C VAL A 9 4.133 23.343 17.378 1.00 0.00 +ATOM 134 O VAL A 9 3.043 22.813 17.177 1.00 0.00 +ATOM 135 N NME A 10 4.313 24.053 18.497 1.00 0.00 +ATOM 136 H NME A 10 5.293 24.293 18.578 1.00 0.00 +ATOM 137 CH3 NME A 10 3.413 24.093 19.628 1.00 0.00 +ATOM 138 1HH3 NME A 10 3.483 25.033 20.177 1.00 0.00 +ATOM 139 2HH3 NME A 10 2.393 24.123 19.258 1.00 0.00 +ATOM 140 3HH3 NME A 10 3.563 23.193 20.227 1.00 0.00 +ATOM 141 1HH3 ACE B 11 11.613 19.083 -5.593 1.00 0.00 +ATOM 142 CH3 ACE B 11 11.373 19.573 -4.653 1.00 0.00 +ATOM 143 2HH3 ACE B 11 10.463 19.283 -4.123 1.00 0.00 +ATOM 144 3HH3 ACE B 11 11.413 20.643 -4.852 1.00 0.00 +ATOM 145 C ACE B 11 12.603 19.333 -3.782 1.00 0.00 +ATOM 146 O ACE B 11 13.553 18.683 -4.222 1.00 0.00 +ATOM 147 N VAL B 12 12.593 20.003 -2.622 1.00 0.00 +ATOM 148 H VAL B 12 11.853 20.663 -2.452 1.00 0.00 +ATOM 149 CA VAL B 12 13.793 20.273 -1.863 1.00 0.00 +ATOM 150 HA VAL B 12 14.423 19.403 -2.052 1.00 0.00 +ATOM 151 CB VAL B 12 14.513 21.523 -2.353 1.00 0.00 +ATOM 152 HB VAL B 12 15.243 21.863 -1.613 1.00 0.00 +ATOM 153 CG1 VAL B 12 15.343 21.433 -3.632 1.00 0.00 +ATOM 154 1HG1 VAL B 12 14.593 21.153 -4.373 1.00 0.00 +ATOM 155 2HG1 VAL B 12 15.753 22.373 -4.023 1.00 0.00 +ATOM 156 3HG1 VAL B 12 16.103 20.653 -3.613 1.00 0.00 +ATOM 157 CG2 VAL B 12 13.563 22.713 -2.282 1.00 0.00 +ATOM 158 1HG2 VAL B 12 13.023 22.763 -3.222 1.00 0.00 +ATOM 159 2HG2 VAL B 12 12.783 22.633 -1.523 1.00 0.00 +ATOM 160 3HG2 VAL B 12 14.073 23.673 -2.212 1.00 0.00 +ATOM 161 C VAL B 12 13.663 20.243 -0.343 1.00 0.00 +ATOM 162 O VAL B 12 14.653 19.863 0.278 1.00 0.00 +ATOM 163 N VAL B 13 12.473 20.263 0.257 1.00 0.00 +ATOM 164 H VAL B 13 11.723 20.583 -0.343 1.00 0.00 +ATOM 165 CA VAL B 13 12.083 20.023 1.628 1.00 0.00 +ATOM 166 HA VAL B 13 12.853 20.463 2.267 1.00 0.00 +ATOM 167 CB VAL B 13 10.893 20.893 2.028 1.00 0.00 +ATOM 168 HB VAL B 13 10.653 20.893 3.097 1.00 0.00 +ATOM 169 CG1 VAL B 13 11.223 22.353 1.727 1.00 0.00 +ATOM 170 1HG1 VAL B 13 11.283 22.573 0.667 1.00 0.00 +ATOM 171 2HG1 VAL B 13 10.443 22.933 2.218 1.00 0.00 +ATOM 172 3HG1 VAL B 13 12.173 22.643 2.167 1.00 0.00 +ATOM 173 CG2 VAL B 13 9.763 20.453 1.097 1.00 0.00 +ATOM 174 1HG2 VAL B 13 10.103 20.363 0.057 1.00 0.00 +ATOM 175 2HG2 VAL B 13 9.393 19.493 1.458 1.00 0.00 +ATOM 176 3HG2 VAL B 13 8.963 21.183 1.118 1.00 0.00 +ATOM 177 C VAL B 13 11.943 18.543 1.938 1.00 0.00 +ATOM 178 O VAL B 13 11.753 18.143 3.087 1.00 0.00 +ATOM 179 N VAL B 14 12.093 17.703 0.917 1.00 0.00 +ATOM 180 H VAL B 14 12.453 18.063 0.048 1.00 0.00 +ATOM 181 CA VAL B 14 12.003 16.253 0.968 1.00 0.00 +ATOM 182 HA VAL B 14 11.043 15.923 1.358 1.00 0.00 +ATOM 183 CB VAL B 14 12.013 15.773 -0.483 1.00 0.00 +ATOM 184 HB VAL B 14 11.833 14.703 -0.433 1.00 0.00 +ATOM 185 CG1 VAL B 14 10.933 16.353 -1.403 1.00 0.00 +ATOM 186 1HG1 VAL B 14 11.003 15.983 -2.423 1.00 0.00 +ATOM 187 2HG1 VAL B 14 9.953 16.053 -1.042 1.00 0.00 +ATOM 188 3HG1 VAL B 14 10.853 17.433 -1.343 1.00 0.00 +ATOM 189 CG2 VAL B 14 13.343 15.833 -1.233 1.00 0.00 +ATOM 190 1HG2 VAL B 14 13.573 16.893 -1.312 1.00 0.00 +ATOM 191 2HG2 VAL B 14 14.103 15.373 -0.603 1.00 0.00 +ATOM 192 3HG2 VAL B 14 13.203 15.303 -2.173 1.00 0.00 +ATOM 193 C VAL B 14 13.093 15.493 1.727 1.00 0.00 +ATOM 194 O VAL B 14 12.913 14.313 1.987 1.00 0.00 +ATOM 195 N VAL B 15 14.193 16.223 1.897 1.00 0.00 +ATOM 196 H VAL B 15 14.123 17.203 1.677 1.00 0.00 +ATOM 197 CA VAL B 15 15.423 15.623 2.387 1.00 0.00 +ATOM 198 HA VAL B 15 15.893 14.953 1.677 1.00 0.00 +ATOM 199 CB VAL B 15 16.513 16.643 2.708 1.00 0.00 +ATOM 200 HB VAL B 15 17.153 16.273 3.517 1.00 0.00 +ATOM 201 CG1 VAL B 15 17.503 16.833 1.557 1.00 0.00 +ATOM 202 1HG1 VAL B 15 17.143 17.543 0.817 1.00 0.00 +ATOM 203 2HG1 VAL B 15 18.373 17.383 1.917 1.00 0.00 +ATOM 204 3HG1 VAL B 15 17.763 15.873 1.128 1.00 0.00 +ATOM 205 CG2 VAL B 15 16.123 18.023 3.227 1.00 0.00 +ATOM 206 1HG2 VAL B 15 15.723 18.103 4.237 1.00 0.00 +ATOM 207 2HG2 VAL B 15 17.053 18.593 3.237 1.00 0.00 +ATOM 208 3HG2 VAL B 15 15.443 18.483 2.507 1.00 0.00 +ATOM 209 C VAL B 15 15.183 14.893 3.698 1.00 0.00 +ATOM 210 O VAL B 15 15.823 13.863 3.847 1.00 0.00 +ATOM 211 N VAL B 16 14.373 15.463 4.597 1.00 0.00 +ATOM 212 H VAL B 16 13.893 16.303 4.288 1.00 0.00 +ATOM 213 CA VAL B 16 13.913 14.983 5.887 1.00 0.00 +ATOM 214 HA VAL B 16 14.853 14.963 6.438 1.00 0.00 +ATOM 215 CB VAL B 16 12.993 15.963 6.597 1.00 0.00 +ATOM 216 HB VAL B 16 12.953 15.673 7.647 1.00 0.00 +ATOM 217 CG1 VAL B 16 13.493 17.403 6.688 1.00 0.00 +ATOM 218 1HG1 VAL B 16 14.553 17.413 6.927 1.00 0.00 +ATOM 219 2HG1 VAL B 16 13.313 18.023 5.807 1.00 0.00 +ATOM 220 3HG1 VAL B 16 13.013 17.793 7.587 1.00 0.00 +ATOM 221 CG2 VAL B 16 11.533 15.783 6.198 1.00 0.00 +ATOM 222 1HG2 VAL B 16 11.013 15.073 6.837 1.00 0.00 +ATOM 223 2HG2 VAL B 16 10.933 16.673 6.378 1.00 0.00 +ATOM 224 3HG2 VAL B 16 11.353 15.533 5.147 1.00 0.00 +ATOM 225 C VAL B 16 13.323 13.583 5.968 1.00 0.00 +ATOM 226 O VAL B 16 13.393 12.963 7.028 1.00 0.00 +ATOM 227 N VAL B 17 12.803 12.983 4.887 1.00 0.00 +ATOM 228 H VAL B 17 12.663 13.643 4.137 1.00 0.00 +ATOM 229 CA VAL B 17 12.413 11.593 4.757 1.00 0.00 +ATOM 230 HA VAL B 17 12.683 11.033 5.647 1.00 0.00 +ATOM 231 CB VAL B 17 10.903 11.473 4.528 1.00 0.00 +ATOM 232 HB VAL B 17 10.643 10.453 4.267 1.00 0.00 +ATOM 233 CG1 VAL B 17 10.043 11.983 5.677 1.00 0.00 +ATOM 234 1HG1 VAL B 17 10.423 11.593 6.618 1.00 0.00 +ATOM 235 2HG1 VAL B 17 10.023 13.073 5.737 1.00 0.00 +ATOM 236 3HG1 VAL B 17 9.013 11.663 5.548 1.00 0.00 +ATOM 237 CG2 VAL B 17 10.433 12.233 3.288 1.00 0.00 +ATOM 238 1HG2 VAL B 17 10.633 13.283 3.497 1.00 0.00 +ATOM 239 2HG2 VAL B 17 11.033 11.983 2.417 1.00 0.00 +ATOM 240 3HG2 VAL B 17 9.393 12.013 3.067 1.00 0.00 +ATOM 241 C VAL B 17 13.183 10.793 3.718 1.00 0.00 +ATOM 242 O VAL B 17 12.693 9.713 3.368 1.00 0.00 +ATOM 243 N VAL B 18 14.333 11.263 3.237 1.00 0.00 +ATOM 244 H VAL B 18 14.653 12.133 3.637 1.00 0.00 +ATOM 245 CA VAL B 18 15.283 10.423 2.538 1.00 0.00 +ATOM 246 HA VAL B 18 14.903 9.393 2.548 1.00 0.00 +ATOM 247 CB VAL B 18 15.253 10.743 1.048 1.00 0.00 +ATOM 248 HB VAL B 18 15.923 10.033 0.567 1.00 0.00 +ATOM 249 CG1 VAL B 18 13.903 10.513 0.368 1.00 0.00 +ATOM 250 1HG1 VAL B 18 13.113 11.123 0.807 1.00 0.00 +ATOM 251 2HG1 VAL B 18 13.963 10.563 -0.722 1.00 0.00 +ATOM 252 3HG1 VAL B 18 13.603 9.473 0.448 1.00 0.00 +ATOM 253 CG2 VAL B 18 15.643 12.173 0.667 1.00 0.00 +ATOM 254 1HG2 VAL B 18 15.733 12.283 -0.413 1.00 0.00 +ATOM 255 2HG2 VAL B 18 15.013 12.883 1.218 1.00 0.00 +ATOM 256 3HG2 VAL B 18 16.663 12.333 1.028 1.00 0.00 +ATOM 257 C VAL B 18 16.683 10.393 3.128 1.00 0.00 +ATOM 258 O VAL B 18 17.283 9.313 3.147 1.00 0.00 +ATOM 259 N VAL B 19 17.213 11.513 3.618 1.00 0.00 +ATOM 260 H VAL B 19 16.673 12.373 3.557 1.00 0.00 +ATOM 261 CA VAL B 19 18.563 11.603 4.118 1.00 0.00 +ATOM 262 HA VAL B 19 18.913 10.583 4.267 1.00 0.00 +ATOM 263 CB VAL B 19 19.613 12.233 3.198 1.00 0.00 +ATOM 264 HB VAL B 19 20.613 12.023 3.577 1.00 0.00 +ATOM 265 CG1 VAL B 19 19.613 11.453 1.887 1.00 0.00 +ATOM 266 1HG1 VAL B 19 18.673 11.393 1.337 1.00 0.00 +ATOM 267 2HG1 VAL B 19 20.353 11.823 1.177 1.00 0.00 +ATOM 268 3HG1 VAL B 19 19.913 10.413 2.028 1.00 0.00 +ATOM 269 CG2 VAL B 19 19.383 13.693 2.847 1.00 0.00 +ATOM 270 1HG2 VAL B 19 19.163 14.203 3.778 1.00 0.00 +ATOM 271 2HG2 VAL B 19 20.253 14.053 2.298 1.00 0.00 +ATOM 272 3HG2 VAL B 19 18.513 13.893 2.227 1.00 0.00 +ATOM 273 C VAL B 19 18.573 12.183 5.528 1.00 0.00 +ATOM 274 O VAL B 19 19.483 11.983 6.327 1.00 0.00 +ATOM 275 N NME B 20 17.593 13.023 5.858 1.00 0.00 +ATOM 276 H NME B 20 16.843 13.223 5.208 1.00 0.00 +ATOM 277 CH3 NME B 20 17.433 13.583 7.177 1.00 0.00 +ATOM 278 1HH3 NME B 20 16.443 13.983 7.387 1.00 0.00 +ATOM 279 2HH3 NME B 20 17.583 12.823 7.948 1.00 0.00 +ATOM 280 3HH3 NME B 20 18.133 14.393 7.387 1.00 0.00 +ATOM 281 1HH3 ACE C 21 -10.971 -29.974 -24.288 1.00 0.00 +ATOM 282 CH3 ACE C 21 -10.721 -29.534 -23.317 1.00 0.00 +ATOM 283 2HH3 ACE C 21 -11.011 -30.164 -22.477 1.00 0.00 +ATOM 284 3HH3 ACE C 21 -11.201 -28.564 -23.317 1.00 0.00 +ATOM 285 C ACE C 21 -9.231 -29.334 -23.047 1.00 0.00 +ATOM 286 O ACE C 21 -8.611 -28.564 -23.777 1.00 0.00 +ATOM 287 N VAL C 22 -8.701 -30.044 -22.047 1.00 0.00 +ATOM 288 H VAL C 22 -9.231 -30.664 -21.448 1.00 0.00 +ATOM 289 CA VAL C 22 -7.471 -29.614 -21.418 1.00 0.00 +ATOM 290 HA VAL C 22 -7.611 -28.534 -21.297 1.00 0.00 +ATOM 291 CB VAL C 22 -7.281 -30.354 -20.098 1.00 0.00 +ATOM 292 HB VAL C 22 -6.281 -30.134 -19.727 1.00 0.00 +ATOM 293 CG1 VAL C 22 -8.241 -29.904 -18.997 1.00 0.00 +ATOM 294 1HG1 VAL C 22 -8.271 -30.584 -18.148 1.00 0.00 +ATOM 295 2HG1 VAL C 22 -7.831 -28.984 -18.597 1.00 0.00 +ATOM 296 3HG1 VAL C 22 -9.161 -29.684 -19.527 1.00 0.00 +ATOM 297 CG2 VAL C 22 -7.541 -31.854 -20.267 1.00 0.00 +ATOM 298 1HG2 VAL C 22 -7.321 -32.154 -21.288 1.00 0.00 +ATOM 299 2HG2 VAL C 22 -6.781 -32.404 -19.718 1.00 0.00 +ATOM 300 3HG2 VAL C 22 -8.591 -32.134 -20.177 1.00 0.00 +ATOM 301 C VAL C 22 -6.311 -29.904 -22.358 1.00 0.00 +ATOM 302 O VAL C 22 -5.171 -29.684 -21.948 1.00 0.00 +ATOM 303 N VAL C 23 -6.571 -30.514 -23.517 1.00 0.00 +ATOM 304 H VAL C 23 -7.541 -30.704 -23.727 1.00 0.00 +ATOM 305 CA VAL C 23 -5.561 -30.944 -24.457 1.00 0.00 +ATOM 306 HA VAL C 23 -4.551 -30.814 -24.047 1.00 0.00 +ATOM 307 CB VAL C 23 -5.571 -32.444 -24.747 1.00 0.00 +ATOM 308 HB VAL C 23 -4.671 -32.784 -25.267 1.00 0.00 +ATOM 309 CG1 VAL C 23 -5.491 -33.224 -23.448 1.00 0.00 +ATOM 310 1HG1 VAL C 23 -5.311 -34.274 -23.688 1.00 0.00 +ATOM 311 2HG1 VAL C 23 -4.641 -32.844 -22.878 1.00 0.00 +ATOM 312 3HG1 VAL C 23 -6.401 -33.164 -22.848 1.00 0.00 +ATOM 313 CG2 VAL C 23 -6.801 -32.974 -25.477 1.00 0.00 +ATOM 314 1HG2 VAL C 23 -6.851 -34.064 -25.477 1.00 0.00 +ATOM 315 2HG2 VAL C 23 -7.711 -32.734 -24.918 1.00 0.00 +ATOM 316 3HG2 VAL C 23 -6.911 -32.504 -26.457 1.00 0.00 +ATOM 317 C VAL C 23 -5.491 -30.114 -25.738 1.00 0.00 +ATOM 318 O VAL C 23 -4.581 -30.264 -26.547 1.00 0.00 +ATOM 319 N VAL C 24 -6.441 -29.194 -25.887 1.00 0.00 +ATOM 320 H VAL C 24 -7.031 -29.134 -25.067 1.00 0.00 +ATOM 321 CA VAL C 24 -6.761 -28.344 -27.017 1.00 0.00 +ATOM 322 HA VAL C 24 -5.861 -28.264 -27.617 1.00 0.00 +ATOM 323 CB VAL C 24 -7.891 -28.964 -27.837 1.00 0.00 +ATOM 324 HB VAL C 24 -8.221 -28.274 -28.617 1.00 0.00 +ATOM 325 CG1 VAL C 24 -7.451 -30.134 -28.718 1.00 0.00 +ATOM 326 1HG1 VAL C 24 -6.601 -29.944 -29.378 1.00 0.00 +ATOM 327 2HG1 VAL C 24 -7.211 -31.054 -28.188 1.00 0.00 +ATOM 328 3HG1 VAL C 24 -8.311 -30.494 -29.277 1.00 0.00 +ATOM 329 CG2 VAL C 24 -9.071 -29.304 -26.948 1.00 0.00 +ATOM 330 1HG2 VAL C 24 -8.861 -30.024 -26.157 1.00 0.00 +ATOM 331 2HG2 VAL C 24 -9.421 -28.374 -26.488 1.00 0.00 +ATOM 332 3HG2 VAL C 24 -9.851 -29.614 -27.637 1.00 0.00 +ATOM 333 C VAL C 24 -7.001 -26.864 -26.758 1.00 0.00 +ATOM 334 O VAL C 24 -6.841 -26.034 -27.648 1.00 0.00 +ATOM 335 N VAL C 25 -7.281 -26.564 -25.488 1.00 0.00 +ATOM 336 H VAL C 25 -7.411 -27.284 -24.797 1.00 0.00 +ATOM 337 CA VAL C 25 -7.441 -25.274 -24.848 1.00 0.00 +ATOM 338 HA VAL C 25 -6.851 -24.554 -25.418 1.00 0.00 +ATOM 339 CB VAL C 25 -8.851 -24.704 -24.848 1.00 0.00 +ATOM 340 HB VAL C 25 -8.811 -23.854 -24.168 1.00 0.00 +ATOM 341 CG1 VAL C 25 -9.181 -24.144 -26.227 1.00 0.00 +ATOM 342 1HG1 VAL C 25 -8.561 -23.304 -26.538 1.00 0.00 +ATOM 343 2HG1 VAL C 25 -8.991 -24.914 -26.977 1.00 0.00 +ATOM 344 3HG1 VAL C 25 -10.221 -23.794 -26.198 1.00 0.00 +ATOM 345 CG2 VAL C 25 -9.911 -25.714 -24.427 1.00 0.00 +ATOM 346 1HG2 VAL C 25 -9.651 -26.134 -23.457 1.00 0.00 +ATOM 347 2HG2 VAL C 25 -10.891 -25.274 -24.238 1.00 0.00 +ATOM 348 3HG2 VAL C 25 -9.991 -26.544 -25.128 1.00 0.00 +ATOM 349 C VAL C 25 -6.811 -25.424 -23.468 1.00 0.00 +ATOM 350 O VAL C 25 -6.731 -26.464 -22.817 1.00 0.00 +ATOM 351 N VAL C 26 -6.481 -24.264 -22.887 1.00 0.00 +ATOM 352 H VAL C 26 -6.791 -23.454 -23.418 1.00 0.00 +ATOM 353 CA VAL C 26 -6.021 -24.044 -21.538 1.00 0.00 +ATOM 354 HA VAL C 26 -5.961 -25.034 -21.087 1.00 0.00 +ATOM 355 CB VAL C 26 -4.621 -23.454 -21.387 1.00 0.00 +ATOM 356 HB VAL C 26 -4.321 -23.484 -20.348 1.00 0.00 +ATOM 357 CG1 VAL C 26 -3.591 -24.264 -22.177 1.00 0.00 +ATOM 358 1HG1 VAL C 26 -3.711 -24.314 -23.258 1.00 0.00 +ATOM 359 2HG1 VAL C 26 -2.631 -23.784 -21.988 1.00 0.00 +ATOM 360 3HG1 VAL C 26 -3.661 -25.294 -21.837 1.00 0.00 +ATOM 361 CG2 VAL C 26 -4.521 -21.984 -21.808 1.00 0.00 +ATOM 362 1HG2 VAL C 26 -5.211 -21.384 -21.227 1.00 0.00 +ATOM 363 2HG2 VAL C 26 -3.511 -21.664 -21.538 1.00 0.00 +ATOM 364 3HG2 VAL C 26 -4.651 -21.864 -22.878 1.00 0.00 +ATOM 365 C VAL C 26 -6.961 -23.234 -20.648 1.00 0.00 +ATOM 366 O VAL C 26 -6.731 -23.284 -19.438 1.00 0.00 +ATOM 367 N VAL C 27 -7.901 -22.484 -21.238 1.00 0.00 +ATOM 368 H VAL C 27 -7.741 -22.384 -22.227 1.00 0.00 +ATOM 369 CA VAL C 27 -8.801 -21.614 -20.508 1.00 0.00 +ATOM 370 HA VAL C 27 -8.211 -20.944 -19.887 1.00 0.00 +ATOM 371 CB VAL C 27 -9.671 -20.724 -21.387 1.00 0.00 +ATOM 372 HB VAL C 27 -8.951 -20.204 -22.027 1.00 0.00 +ATOM 373 CG1 VAL C 27 -10.691 -21.464 -22.247 1.00 0.00 +ATOM 374 1HG1 VAL C 27 -11.051 -20.794 -23.038 1.00 0.00 +ATOM 375 2HG1 VAL C 27 -10.211 -22.314 -22.747 1.00 0.00 +ATOM 376 3HG1 VAL C 27 -11.571 -21.744 -21.677 1.00 0.00 +ATOM 377 CG2 VAL C 27 -10.521 -19.624 -20.767 1.00 0.00 +ATOM 378 1HG2 VAL C 27 -11.231 -19.924 -19.997 1.00 0.00 +ATOM 379 2HG2 VAL C 27 -9.831 -18.924 -20.288 1.00 0.00 +ATOM 380 3HG2 VAL C 27 -10.941 -19.034 -21.587 1.00 0.00 +ATOM 381 C VAL C 27 -9.611 -22.344 -19.448 1.00 0.00 +ATOM 382 O VAL C 27 -9.941 -21.724 -18.438 1.00 0.00 +ATOM 383 N VAL C 28 -9.981 -23.604 -19.718 1.00 0.00 +ATOM 384 H VAL C 28 -9.671 -23.874 -20.637 1.00 0.00 +ATOM 385 CA VAL C 28 -10.651 -24.614 -18.918 1.00 0.00 +ATOM 386 HA VAL C 28 -11.581 -24.114 -18.657 1.00 0.00 +ATOM 387 CB VAL C 28 -10.891 -25.814 -19.817 1.00 0.00 +ATOM 388 HB VAL C 28 -11.531 -26.544 -19.317 1.00 0.00 +ATOM 389 CG1 VAL C 28 -11.761 -25.404 -21.008 1.00 0.00 +ATOM 390 1HG1 VAL C 28 -12.651 -24.804 -20.817 1.00 0.00 +ATOM 391 2HG1 VAL C 28 -11.141 -25.054 -21.828 1.00 0.00 +ATOM 392 3HG1 VAL C 28 -12.201 -26.364 -21.308 1.00 0.00 +ATOM 393 CG2 VAL C 28 -9.601 -26.514 -20.247 1.00 0.00 +ATOM 394 1HG2 VAL C 28 -9.731 -27.114 -21.148 1.00 0.00 +ATOM 395 2HG2 VAL C 28 -8.831 -25.814 -20.587 1.00 0.00 +ATOM 396 3HG2 VAL C 28 -9.221 -27.084 -19.398 1.00 0.00 +ATOM 397 C VAL C 28 -10.011 -24.924 -17.567 1.00 0.00 +ATOM 398 O VAL C 28 -10.571 -25.614 -16.718 1.00 0.00 +ATOM 399 N VAL C 29 -8.701 -24.744 -17.387 1.00 0.00 +ATOM 400 H VAL C 29 -8.171 -24.464 -18.207 1.00 0.00 +ATOM 401 CA VAL C 29 -7.971 -24.844 -16.148 1.00 0.00 +ATOM 402 HA VAL C 29 -8.631 -24.984 -15.298 1.00 0.00 +ATOM 403 CB VAL C 29 -6.971 -26.004 -16.207 1.00 0.00 +ATOM 404 HB VAL C 29 -6.261 -25.934 -15.398 1.00 0.00 +ATOM 405 CG1 VAL C 29 -7.801 -27.274 -16.038 1.00 0.00 +ATOM 406 1HG1 VAL C 29 -8.411 -27.204 -15.137 1.00 0.00 +ATOM 407 2HG1 VAL C 29 -8.431 -27.424 -16.917 1.00 0.00 +ATOM 408 3HG1 VAL C 29 -7.131 -28.104 -15.828 1.00 0.00 +ATOM 409 CG2 VAL C 29 -6.191 -26.124 -17.518 1.00 0.00 +ATOM 410 1HG2 VAL C 29 -5.631 -25.194 -17.658 1.00 0.00 +ATOM 411 2HG2 VAL C 29 -5.441 -26.914 -17.478 1.00 0.00 +ATOM 412 3HG2 VAL C 29 -6.861 -26.404 -18.328 1.00 0.00 +ATOM 413 C VAL C 29 -7.241 -23.544 -15.858 1.00 0.00 +ATOM 414 O VAL C 29 -6.591 -23.364 -14.828 1.00 0.00 +ATOM 415 N NME C 30 -7.411 -22.484 -16.648 1.00 0.00 +ATOM 416 H NME C 30 -7.951 -22.674 -17.478 1.00 0.00 +ATOM 417 CH3 NME C 30 -6.751 -21.214 -16.447 1.00 0.00 +ATOM 418 1HH3 NME C 30 -6.981 -20.444 -17.188 1.00 0.00 +ATOM 419 2HH3 NME C 30 -7.111 -20.784 -15.508 1.00 0.00 +ATOM 420 3HH3 NME C 30 -5.681 -21.424 -16.398 1.00 0.00 +ATOM 421 1HH3 ACE D 31 37.083 28.793 -7.123 1.00 0.00 +ATOM 422 CH3 ACE D 31 36.493 27.893 -6.953 1.00 0.00 +ATOM 423 2HH3 ACE D 31 36.423 27.563 -5.923 1.00 0.00 +ATOM 424 3HH3 ACE D 31 36.823 27.093 -7.613 1.00 0.00 +ATOM 425 C ACE D 31 35.083 28.223 -7.403 1.00 0.00 +ATOM 426 O ACE D 31 34.793 29.343 -7.823 1.00 0.00 +ATOM 427 N VAL D 32 34.143 27.273 -7.293 1.00 0.00 +ATOM 428 H VAL D 32 34.423 26.383 -6.903 1.00 0.00 +ATOM 429 CA VAL D 32 32.773 27.423 -7.722 1.00 0.00 +ATOM 430 HA VAL D 32 32.493 28.473 -7.802 1.00 0.00 +ATOM 431 CB VAL D 32 32.503 26.673 -9.023 1.00 0.00 +ATOM 432 HB VAL D 32 31.463 26.913 -9.243 1.00 0.00 +ATOM 433 CG1 VAL D 32 33.313 27.123 -10.233 1.00 0.00 +ATOM 434 1HG1 VAL D 32 32.823 28.043 -10.573 1.00 0.00 +ATOM 435 2HG1 VAL D 32 34.383 27.253 -10.102 1.00 0.00 +ATOM 436 3HG1 VAL D 32 33.223 26.503 -11.123 1.00 0.00 +ATOM 437 CG2 VAL D 32 32.733 25.183 -8.753 1.00 0.00 +ATOM 438 1HG2 VAL D 32 32.073 24.883 -7.943 1.00 0.00 +ATOM 439 2HG2 VAL D 32 32.463 24.643 -9.653 1.00 0.00 +ATOM 440 3HG2 VAL D 32 33.803 25.063 -8.583 1.00 0.00 +ATOM 441 C VAL D 32 31.733 27.013 -6.682 1.00 0.00 +ATOM 442 O VAL D 32 30.553 27.283 -6.923 1.00 0.00 +ATOM 443 N VAL D 33 32.073 26.523 -5.493 1.00 0.00 +ATOM 444 H VAL D 33 33.033 26.263 -5.302 1.00 0.00 +ATOM 445 CA VAL D 33 31.123 26.133 -4.463 1.00 0.00 +ATOM 446 HA VAL D 33 30.373 25.653 -5.083 1.00 0.00 +ATOM 447 CB VAL D 33 31.813 25.263 -3.413 1.00 0.00 +ATOM 448 HB VAL D 33 31.143 25.313 -2.552 1.00 0.00 +ATOM 449 CG1 VAL D 33 32.193 23.863 -3.863 1.00 0.00 +ATOM 450 1HG1 VAL D 33 31.323 23.233 -4.083 1.00 0.00 +ATOM 451 2HG1 VAL D 33 32.833 23.963 -4.733 1.00 0.00 +ATOM 452 3HG1 VAL D 33 32.763 23.303 -3.122 1.00 0.00 +ATOM 453 CG2 VAL D 33 33.043 25.963 -2.853 1.00 0.00 +ATOM 454 1HG2 VAL D 33 34.003 25.573 -3.212 1.00 0.00 +ATOM 455 2HG2 VAL D 33 33.103 27.043 -2.983 1.00 0.00 +ATOM 456 3HG2 VAL D 33 33.063 25.733 -1.782 1.00 0.00 +ATOM 457 C VAL D 33 30.433 27.343 -3.863 1.00 0.00 +ATOM 458 O VAL D 33 29.253 27.273 -3.523 1.00 0.00 +ATOM 459 N VAL D 34 31.083 28.503 -3.683 1.00 0.00 +ATOM 460 H VAL D 34 32.053 28.443 -3.943 1.00 0.00 +ATOM 461 CA VAL D 34 30.623 29.613 -2.882 1.00 0.00 +ATOM 462 HA VAL D 34 29.563 29.533 -2.663 1.00 0.00 +ATOM 463 CB VAL D 34 31.373 29.783 -1.562 1.00 0.00 +ATOM 464 HB VAL D 34 30.903 30.573 -0.972 1.00 0.00 +ATOM 465 CG1 VAL D 34 31.323 28.523 -0.702 1.00 0.00 +ATOM 466 1HG1 VAL D 34 31.893 27.673 -1.093 1.00 0.00 +ATOM 467 2HG1 VAL D 34 31.623 28.773 0.317 1.00 0.00 +ATOM 468 3HG1 VAL D 34 30.283 28.213 -0.603 1.00 0.00 +ATOM 469 CG2 VAL D 34 32.853 30.123 -1.753 1.00 0.00 +ATOM 470 1HG2 VAL D 34 33.363 29.333 -2.292 1.00 0.00 +ATOM 471 2HG2 VAL D 34 32.983 31.153 -2.093 1.00 0.00 +ATOM 472 3HG2 VAL D 34 33.393 30.243 -0.812 1.00 0.00 +ATOM 473 C VAL D 34 30.743 30.983 -3.532 1.00 0.00 +ATOM 474 O VAL D 34 30.103 31.923 -3.052 1.00 0.00 +ATOM 475 N VAL D 35 31.423 31.153 -4.663 1.00 0.00 +ATOM 476 H VAL D 35 32.013 30.393 -4.963 1.00 0.00 +ATOM 477 CA VAL D 35 31.463 32.403 -5.413 1.00 0.00 +ATOM 478 HA VAL D 35 30.583 32.863 -4.963 1.00 0.00 +ATOM 479 CB VAL D 35 32.613 33.353 -5.123 1.00 0.00 +ATOM 480 HB VAL D 35 32.373 34.313 -5.583 1.00 0.00 +ATOM 481 CG1 VAL D 35 32.763 33.733 -3.653 1.00 0.00 +ATOM 482 1HG1 VAL D 35 33.023 32.873 -3.023 1.00 0.00 +ATOM 483 2HG1 VAL D 35 33.533 34.503 -3.583 1.00 0.00 +ATOM 484 3HG1 VAL D 35 31.793 34.083 -3.302 1.00 0.00 +ATOM 485 CG2 VAL D 35 33.973 32.883 -5.623 1.00 0.00 +ATOM 486 1HG2 VAL D 35 33.903 33.043 -6.703 1.00 0.00 +ATOM 487 2HG2 VAL D 35 34.753 33.573 -5.293 1.00 0.00 +ATOM 488 3HG2 VAL D 35 34.343 31.933 -5.243 1.00 0.00 +ATOM 489 C VAL D 35 31.063 32.333 -6.873 1.00 0.00 +ATOM 490 O VAL D 35 31.313 33.293 -7.602 1.00 0.00 +ATOM 491 N VAL D 36 30.443 31.263 -7.383 1.00 0.00 +ATOM 492 H VAL D 36 30.043 30.613 -6.722 1.00 0.00 +ATOM 493 CA VAL D 36 30.143 30.913 -8.753 1.00 0.00 +ATOM 494 HA VAL D 36 31.153 30.813 -9.163 1.00 0.00 +ATOM 495 CB VAL D 36 29.533 29.523 -8.873 1.00 0.00 +ATOM 496 HB VAL D 36 30.333 28.873 -8.503 1.00 0.00 +ATOM 497 CG1 VAL D 36 28.253 29.293 -8.073 1.00 0.00 +ATOM 498 1HG1 VAL D 36 27.983 28.253 -8.213 1.00 0.00 +ATOM 499 2HG1 VAL D 36 28.543 29.303 -7.023 1.00 0.00 +ATOM 500 3HG1 VAL D 36 27.453 29.983 -8.352 1.00 0.00 +ATOM 501 CG2 VAL D 36 29.303 29.063 -10.312 1.00 0.00 +ATOM 502 1HG2 VAL D 36 28.283 29.363 -10.523 1.00 0.00 +ATOM 503 2HG2 VAL D 36 30.003 29.583 -10.963 1.00 0.00 +ATOM 504 3HG2 VAL D 36 29.253 27.983 -10.472 1.00 0.00 +ATOM 505 C VAL D 36 29.463 32.073 -9.472 1.00 0.00 +ATOM 506 O VAL D 36 29.653 32.113 -10.693 1.00 0.00 +ATOM 507 N VAL D 37 28.623 32.813 -8.753 1.00 0.00 +ATOM 508 H VAL D 37 28.483 32.603 -7.773 1.00 0.00 +ATOM 509 CA VAL D 37 27.743 33.753 -9.413 1.00 0.00 +ATOM 510 HA VAL D 37 27.133 33.243 -10.163 1.00 0.00 +ATOM 511 CB VAL D 37 26.783 34.373 -8.413 1.00 0.00 +ATOM 512 HB VAL D 37 26.143 33.543 -8.093 1.00 0.00 +ATOM 513 CG1 VAL D 37 27.513 34.993 -7.222 1.00 0.00 +ATOM 514 1HG1 VAL D 37 28.193 34.303 -6.733 1.00 0.00 +ATOM 515 2HG1 VAL D 37 28.203 35.773 -7.562 1.00 0.00 +ATOM 516 3HG1 VAL D 37 26.793 35.573 -6.642 1.00 0.00 +ATOM 517 CG2 VAL D 37 25.753 35.383 -8.923 1.00 0.00 +ATOM 518 1HG2 VAL D 37 25.063 35.663 -8.123 1.00 0.00 +ATOM 519 2HG2 VAL D 37 26.263 36.243 -9.352 1.00 0.00 +ATOM 520 3HG2 VAL D 37 25.203 34.853 -9.693 1.00 0.00 +ATOM 521 C VAL D 37 28.543 34.843 -10.113 1.00 0.00 +ATOM 522 O VAL D 37 27.983 35.493 -10.983 1.00 0.00 +ATOM 523 N VAL D 38 29.783 35.053 -9.663 1.00 0.00 +ATOM 524 H VAL D 38 30.193 34.633 -8.833 1.00 0.00 +ATOM 525 CA VAL D 38 30.583 36.033 -10.363 1.00 0.00 +ATOM 526 HA VAL D 38 29.963 36.493 -11.133 1.00 0.00 +ATOM 527 CB VAL D 38 30.863 37.253 -9.483 1.00 0.00 +ATOM 528 HB VAL D 38 31.543 37.903 -10.023 1.00 0.00 +ATOM 529 CG1 VAL D 38 29.563 38.003 -9.203 1.00 0.00 +ATOM 530 1HG1 VAL D 38 28.903 37.943 -10.062 1.00 0.00 +ATOM 531 2HG1 VAL D 38 29.023 37.793 -8.273 1.00 0.00 +ATOM 532 3HG1 VAL D 38 29.943 38.993 -8.932 1.00 0.00 +ATOM 533 CG2 VAL D 38 31.563 36.893 -8.173 1.00 0.00 +ATOM 534 1HG2 VAL D 38 31.593 37.743 -7.493 1.00 0.00 +ATOM 535 2HG2 VAL D 38 31.023 36.153 -7.583 1.00 0.00 +ATOM 536 3HG2 VAL D 38 32.583 36.593 -8.383 1.00 0.00 +ATOM 537 C VAL D 38 31.903 35.523 -10.913 1.00 0.00 +ATOM 538 O VAL D 38 32.763 36.303 -11.333 1.00 0.00 +ATOM 539 N VAL D 39 32.073 34.223 -11.113 1.00 0.00 +ATOM 540 H VAL D 39 31.353 33.553 -10.892 1.00 0.00 +ATOM 541 CA VAL D 39 33.213 33.683 -11.833 1.00 0.00 +ATOM 542 HA VAL D 39 33.723 34.493 -12.343 1.00 0.00 +ATOM 543 CB VAL D 39 34.243 33.133 -10.852 1.00 0.00 +ATOM 544 HB VAL D 39 35.063 32.673 -11.403 1.00 0.00 +ATOM 545 CG1 VAL D 39 34.733 34.213 -9.892 1.00 0.00 +ATOM 546 1HG1 VAL D 39 35.443 33.753 -9.213 1.00 0.00 +ATOM 547 2HG1 VAL D 39 35.153 35.023 -10.503 1.00 0.00 +ATOM 548 3HG1 VAL D 39 33.933 34.583 -9.253 1.00 0.00 +ATOM 549 CG2 VAL D 39 33.713 31.973 -10.003 1.00 0.00 +ATOM 550 1HG2 VAL D 39 34.513 31.413 -9.533 1.00 0.00 +ATOM 551 2HG2 VAL D 39 32.943 32.243 -9.283 1.00 0.00 +ATOM 552 3HG2 VAL D 39 33.333 31.253 -10.722 1.00 0.00 +ATOM 553 C VAL D 39 32.863 32.573 -12.823 1.00 0.00 +ATOM 554 O VAL D 39 33.573 32.433 -13.812 1.00 0.00 +ATOM 555 N NME D 40 31.713 31.903 -12.733 1.00 0.00 +ATOM 556 H NME D 40 31.133 32.033 -11.913 1.00 0.00 +ATOM 557 CH3 NME D 40 31.093 31.133 -13.783 1.00 0.00 +ATOM 558 1HH3 NME D 40 31.703 31.063 -14.693 1.00 0.00 +ATOM 559 2HH3 NME D 40 30.823 30.143 -13.423 1.00 0.00 +ATOM 560 3HH3 NME D 40 30.323 31.803 -14.163 1.00 0.00 +ATOM 561 1HH3 ACE E 41 -12.921 25.623 -22.407 1.00 0.00 +ATOM 562 CH3 ACE E 41 -12.661 24.883 -23.168 1.00 0.00 +ATOM 563 2HH3 ACE E 41 -12.731 23.863 -22.788 1.00 0.00 +ATOM 564 3HH3 ACE E 41 -11.681 25.053 -23.608 1.00 0.00 +ATOM 565 C ACE E 41 -13.551 25.113 -24.378 1.00 0.00 +ATOM 566 O ACE E 41 -14.101 24.133 -24.878 1.00 0.00 +ATOM 567 N VAL E 42 -13.471 26.313 -24.957 1.00 0.00 +ATOM 568 H VAL E 42 -12.941 27.023 -24.477 1.00 0.00 +ATOM 569 CA VAL E 42 -14.031 26.573 -26.267 1.00 0.00 +ATOM 570 HA VAL E 42 -14.331 25.633 -26.738 1.00 0.00 +ATOM 571 CB VAL E 42 -15.301 27.403 -26.087 1.00 0.00 +ATOM 572 HB VAL E 42 -15.561 27.813 -27.067 1.00 0.00 +ATOM 573 CG1 VAL E 42 -16.441 26.593 -25.497 1.00 0.00 +ATOM 574 1HG1 VAL E 42 -16.571 25.713 -26.137 1.00 0.00 +ATOM 575 2HG1 VAL E 42 -16.171 26.273 -24.488 1.00 0.00 +ATOM 576 3HG1 VAL E 42 -17.341 27.213 -25.477 1.00 0.00 +ATOM 577 CG2 VAL E 42 -15.231 28.603 -25.157 1.00 0.00 +ATOM 578 1HG2 VAL E 42 -14.321 29.193 -25.317 1.00 0.00 +ATOM 579 2HG2 VAL E 42 -16.041 29.293 -25.387 1.00 0.00 +ATOM 580 3HG2 VAL E 42 -15.291 28.403 -24.087 1.00 0.00 +ATOM 581 C VAL E 42 -13.091 27.203 -27.277 1.00 0.00 +ATOM 582 O VAL E 42 -13.371 27.203 -28.468 1.00 0.00 +ATOM 583 N VAL E 43 -11.901 27.633 -26.837 1.00 0.00 +ATOM 584 H VAL E 43 -11.841 27.813 -25.837 1.00 0.00 +ATOM 585 CA VAL E 43 -10.851 28.263 -27.608 1.00 0.00 +ATOM 586 HA VAL E 43 -11.091 28.023 -28.648 1.00 0.00 +ATOM 587 CB VAL E 43 -10.871 29.773 -27.438 1.00 0.00 +ATOM 588 HB VAL E 43 -10.041 30.173 -28.017 1.00 0.00 +ATOM 589 CG1 VAL E 43 -12.191 30.393 -27.927 1.00 0.00 +ATOM 590 1HG1 VAL E 43 -13.041 30.103 -27.308 1.00 0.00 +ATOM 591 2HG1 VAL E 43 -12.031 31.463 -27.808 1.00 0.00 +ATOM 592 3HG1 VAL E 43 -12.411 30.103 -28.957 1.00 0.00 +ATOM 593 CG2 VAL E 43 -10.571 30.163 -25.997 1.00 0.00 +ATOM 594 1HG2 VAL E 43 -11.351 29.753 -25.358 1.00 0.00 +ATOM 595 2HG2 VAL E 43 -9.651 29.673 -25.668 1.00 0.00 +ATOM 596 3HG2 VAL E 43 -10.631 31.233 -25.837 1.00 0.00 +ATOM 597 C VAL E 43 -9.431 27.763 -27.438 1.00 0.00 +ATOM 598 O VAL E 43 -8.561 28.053 -28.258 1.00 0.00 +ATOM 599 N VAL E 44 -9.191 26.723 -26.637 1.00 0.00 +ATOM 600 H VAL E 44 -9.881 26.533 -25.927 1.00 0.00 +ATOM 601 CA VAL E 44 -8.061 25.823 -26.547 1.00 0.00 +ATOM 602 HA VAL E 44 -7.231 26.383 -26.108 1.00 0.00 +ATOM 603 CB VAL E 44 -8.311 24.583 -25.698 1.00 0.00 +ATOM 604 HB VAL E 44 -7.341 24.153 -25.448 1.00 0.00 +ATOM 605 CG1 VAL E 44 -8.951 24.983 -24.367 1.00 0.00 +ATOM 606 1HG1 VAL E 44 -8.281 25.523 -23.698 1.00 0.00 +ATOM 607 2HG1 VAL E 44 -9.781 25.673 -24.497 1.00 0.00 +ATOM 608 3HG1 VAL E 44 -9.341 24.063 -23.918 1.00 0.00 +ATOM 609 CG2 VAL E 44 -9.301 23.613 -26.348 1.00 0.00 +ATOM 610 1HG2 VAL E 44 -8.861 23.343 -27.308 1.00 0.00 +ATOM 611 2HG2 VAL E 44 -9.421 22.653 -25.848 1.00 0.00 +ATOM 612 3HG2 VAL E 44 -10.221 24.163 -26.558 1.00 0.00 +ATOM 613 C VAL E 44 -7.321 25.443 -27.817 1.00 0.00 +ATOM 614 O VAL E 44 -6.111 25.243 -27.738 1.00 0.00 +ATOM 615 N VAL E 45 -8.071 25.203 -28.898 1.00 0.00 +ATOM 616 H VAL E 45 -9.031 25.513 -28.828 1.00 0.00 +ATOM 617 CA VAL E 45 -7.611 24.853 -30.227 1.00 0.00 +ATOM 618 HA VAL E 45 -7.191 23.863 -30.117 1.00 0.00 +ATOM 619 CB VAL E 45 -8.711 24.683 -31.267 1.00 0.00 +ATOM 620 HB VAL E 45 -8.311 24.223 -32.177 1.00 0.00 +ATOM 621 CG1 VAL E 45 -9.701 23.683 -30.668 1.00 0.00 +ATOM 622 1HG1 VAL E 45 -10.161 23.863 -29.688 1.00 0.00 +ATOM 623 2HG1 VAL E 45 -10.531 23.573 -31.358 1.00 0.00 +ATOM 624 3HG1 VAL E 45 -9.201 22.723 -30.547 1.00 0.00 +ATOM 625 CG2 VAL E 45 -9.421 25.983 -31.617 1.00 0.00 +ATOM 626 1HG2 VAL E 45 -10.021 26.203 -30.738 1.00 0.00 +ATOM 627 2HG2 VAL E 45 -8.721 26.803 -31.797 1.00 0.00 +ATOM 628 3HG2 VAL E 45 -10.001 25.873 -32.538 1.00 0.00 +ATOM 629 C VAL E 45 -6.471 25.673 -30.817 1.00 0.00 +ATOM 630 O VAL E 45 -5.791 25.233 -31.738 1.00 0.00 +ATOM 631 N VAL E 46 -6.131 26.863 -30.317 1.00 0.00 +ATOM 632 H VAL E 46 -6.821 27.363 -29.758 1.00 0.00 +ATOM 633 CA VAL E 46 -4.941 27.633 -30.637 1.00 0.00 +ATOM 634 HA VAL E 46 -4.821 27.413 -31.707 1.00 0.00 +ATOM 635 CB VAL E 46 -5.121 29.143 -30.567 1.00 0.00 +ATOM 636 HB VAL E 46 -4.311 29.533 -31.177 1.00 0.00 +ATOM 637 CG1 VAL E 46 -6.401 29.613 -31.267 1.00 0.00 +ATOM 638 1HG1 VAL E 46 -6.491 30.693 -31.267 1.00 0.00 +ATOM 639 2HG1 VAL E 46 -6.321 29.263 -32.297 1.00 0.00 +ATOM 640 3HG1 VAL E 46 -7.221 29.113 -30.747 1.00 0.00 +ATOM 641 CG2 VAL E 46 -4.951 29.723 -29.168 1.00 0.00 +ATOM 642 1HG2 VAL E 46 -5.631 29.163 -28.527 1.00 0.00 +ATOM 643 2HG2 VAL E 46 -3.921 29.613 -28.828 1.00 0.00 +ATOM 644 3HG2 VAL E 46 -5.311 30.753 -29.137 1.00 0.00 +ATOM 645 C VAL E 46 -3.671 27.153 -29.957 1.00 0.00 +ATOM 646 O VAL E 46 -2.601 27.633 -30.317 1.00 0.00 +ATOM 647 N VAL E 47 -3.821 26.353 -28.898 1.00 0.00 +ATOM 648 H VAL E 47 -4.741 26.163 -28.538 1.00 0.00 +ATOM 649 CA VAL E 47 -2.661 25.933 -28.137 1.00 0.00 +ATOM 650 HA VAL E 47 -1.711 25.993 -28.668 1.00 0.00 +ATOM 651 CB VAL E 47 -2.431 26.813 -26.918 1.00 0.00 +ATOM 652 HB VAL E 47 -1.821 26.253 -26.198 1.00 0.00 +ATOM 653 CG1 VAL E 47 -1.521 27.993 -27.227 1.00 0.00 +ATOM 654 1HG1 VAL E 47 -1.321 28.573 -26.328 1.00 0.00 +ATOM 655 2HG1 VAL E 47 -0.591 27.623 -27.668 1.00 0.00 +ATOM 656 3HG1 VAL E 47 -2.001 28.663 -27.948 1.00 0.00 +ATOM 657 CG2 VAL E 47 -3.711 27.263 -26.227 1.00 0.00 +ATOM 658 1HG2 VAL E 47 -3.471 27.643 -25.238 1.00 0.00 +ATOM 659 2HG2 VAL E 47 -4.271 28.003 -26.788 1.00 0.00 +ATOM 660 3HG2 VAL E 47 -4.481 26.493 -26.087 1.00 0.00 +ATOM 661 C VAL E 47 -2.551 24.493 -27.648 1.00 0.00 +ATOM 662 O VAL E 47 -1.421 24.033 -27.448 1.00 0.00 +ATOM 663 N VAL E 48 -3.701 23.853 -27.468 1.00 0.00 +ATOM 664 H VAL E 48 -4.571 24.313 -27.718 1.00 0.00 +ATOM 665 CA VAL E 48 -3.881 22.473 -27.078 1.00 0.00 +ATOM 666 HA VAL E 48 -2.901 22.003 -27.148 1.00 0.00 +ATOM 667 CB VAL E 48 -4.151 22.363 -25.578 1.00 0.00 +ATOM 668 HB VAL E 48 -4.871 23.133 -25.297 1.00 0.00 +ATOM 669 CG1 VAL E 48 -4.671 20.983 -25.218 1.00 0.00 +ATOM 670 1HG1 VAL E 48 -4.111 20.113 -25.567 1.00 0.00 +ATOM 671 2HG1 VAL E 48 -4.541 20.843 -24.137 1.00 0.00 +ATOM 672 3HG1 VAL E 48 -5.741 20.953 -25.398 1.00 0.00 +ATOM 673 CG2 VAL E 48 -2.981 22.623 -24.628 1.00 0.00 +ATOM 674 1HG2 VAL E 48 -2.641 23.643 -24.777 1.00 0.00 +ATOM 675 2HG2 VAL E 48 -3.111 22.453 -23.558 1.00 0.00 +ATOM 676 3HG2 VAL E 48 -2.101 22.023 -24.867 1.00 0.00 +ATOM 677 C VAL E 48 -4.841 21.753 -28.008 1.00 0.00 +ATOM 678 O VAL E 48 -6.011 22.123 -28.108 1.00 0.00 +ATOM 679 N VAL E 49 -4.391 20.723 -28.727 1.00 0.00 +ATOM 680 H VAL E 49 -3.411 20.503 -28.628 1.00 0.00 +ATOM 681 CA VAL E 49 -5.041 20.263 -29.938 1.00 0.00 +ATOM 682 HA VAL E 49 -5.971 20.813 -30.078 1.00 0.00 +ATOM 683 CB VAL E 49 -4.231 20.703 -31.157 1.00 0.00 +ATOM 684 HB VAL E 49 -3.151 20.603 -31.008 1.00 0.00 +ATOM 685 CG1 VAL E 49 -4.531 20.043 -32.497 1.00 0.00 +ATOM 686 1HG1 VAL E 49 -4.151 19.023 -32.418 1.00 0.00 +ATOM 687 2HG1 VAL E 49 -5.571 20.153 -32.777 1.00 0.00 +ATOM 688 3HG1 VAL E 49 -3.941 20.453 -33.317 1.00 0.00 +ATOM 689 CG2 VAL E 49 -4.541 22.183 -31.358 1.00 0.00 +ATOM 690 1HG2 VAL E 49 -3.841 22.563 -32.098 1.00 0.00 +ATOM 691 2HG2 VAL E 49 -5.591 22.433 -31.547 1.00 0.00 +ATOM 692 3HG2 VAL E 49 -4.231 22.633 -30.418 1.00 0.00 +ATOM 693 C VAL E 49 -5.251 18.753 -29.848 1.00 0.00 +ATOM 694 O VAL E 49 -4.271 18.073 -29.527 1.00 0.00 +ATOM 695 N NME E 50 -6.391 18.163 -30.188 1.00 0.00 +ATOM 696 H NME E 50 -7.111 18.813 -30.468 1.00 0.00 +ATOM 697 CH3 NME E 50 -6.701 16.763 -29.957 1.00 0.00 +ATOM 698 1HH3 NME E 50 -7.091 16.293 -30.858 1.00 0.00 +ATOM 699 2HH3 NME E 50 -5.811 16.203 -29.688 1.00 0.00 +ATOM 700 3HH3 NME E 50 -7.291 16.543 -29.067 1.00 0.00 +ATOM 701 1HH3 ACE F 51 -25.431 15.893 -12.723 1.00 0.00 +ATOM 702 CH3 ACE F 51 -24.461 16.303 -12.443 1.00 0.00 +ATOM 703 2HH3 ACE F 51 -24.561 17.353 -12.683 1.00 0.00 +ATOM 704 3HH3 ACE F 51 -23.851 15.843 -13.223 1.00 0.00 +ATOM 705 C ACE F 51 -24.211 15.953 -10.983 1.00 0.00 +ATOM 706 O ACE F 51 -24.451 16.763 -10.093 1.00 0.00 +ATOM 707 N VAL F 52 -23.911 14.663 -10.843 1.00 0.00 +ATOM 708 H VAL F 52 -23.681 14.133 -11.663 1.00 0.00 +ATOM 709 CA VAL F 52 -23.911 14.043 -9.523 1.00 0.00 +ATOM 710 HA VAL F 52 -23.891 14.783 -8.722 1.00 0.00 +ATOM 711 CB VAL F 52 -25.131 13.163 -9.283 1.00 0.00 +ATOM 712 HB VAL F 52 -25.081 12.823 -8.253 1.00 0.00 +ATOM 713 CG1 VAL F 52 -26.451 13.913 -9.373 1.00 0.00 +ATOM 714 1HG1 VAL F 52 -26.651 14.123 -10.423 1.00 0.00 +ATOM 715 2HG1 VAL F 52 -27.291 13.343 -8.972 1.00 0.00 +ATOM 716 3HG1 VAL F 52 -26.371 14.893 -8.892 1.00 0.00 +ATOM 717 CG2 VAL F 52 -25.291 11.883 -10.102 1.00 0.00 +ATOM 718 1HG2 VAL F 52 -25.541 12.263 -11.093 1.00 0.00 +ATOM 719 2HG2 VAL F 52 -24.411 11.263 -10.273 1.00 0.00 +ATOM 720 3HG2 VAL F 52 -26.181 11.423 -9.673 1.00 0.00 +ATOM 721 C VAL F 52 -22.651 13.233 -9.253 1.00 0.00 +ATOM 722 O VAL F 52 -22.281 13.113 -8.093 1.00 0.00 +ATOM 723 N VAL F 53 -21.961 12.853 -10.333 1.00 0.00 +ATOM 724 H VAL F 53 -22.281 12.933 -11.283 1.00 0.00 +ATOM 725 CA VAL F 53 -20.651 12.233 -10.283 1.00 0.00 +ATOM 726 HA VAL F 53 -20.211 12.623 -9.363 1.00 0.00 +ATOM 727 CB VAL F 53 -20.621 10.713 -10.163 1.00 0.00 +ATOM 728 HB VAL F 53 -19.581 10.393 -10.222 1.00 0.00 +ATOM 729 CG1 VAL F 53 -21.201 10.143 -8.873 1.00 0.00 +ATOM 730 1HG1 VAL F 53 -22.281 10.293 -8.953 1.00 0.00 +ATOM 731 2HG1 VAL F 53 -21.081 9.083 -8.673 1.00 0.00 +ATOM 732 3HG1 VAL F 53 -20.681 10.763 -8.142 1.00 0.00 +ATOM 733 CG2 VAL F 53 -21.311 10.103 -11.383 1.00 0.00 +ATOM 734 1HG2 VAL F 53 -20.991 9.063 -11.423 1.00 0.00 +ATOM 735 2HG2 VAL F 53 -22.381 10.083 -11.182 1.00 0.00 +ATOM 736 3HG2 VAL F 53 -21.121 10.703 -12.273 1.00 0.00 +ATOM 737 C VAL F 53 -19.681 12.703 -11.363 1.00 0.00 +ATOM 738 O VAL F 53 -18.501 12.363 -11.413 1.00 0.00 +ATOM 739 N VAL F 54 -20.081 13.723 -12.123 1.00 0.00 +ATOM 740 H VAL F 54 -21.081 13.903 -12.093 1.00 0.00 +ATOM 741 CA VAL F 54 -19.141 14.263 -13.083 1.00 0.00 +ATOM 742 HA VAL F 54 -18.791 13.413 -13.673 1.00 0.00 +ATOM 743 CB VAL F 54 -19.871 15.133 -14.093 1.00 0.00 +ATOM 744 HB VAL F 54 -20.771 14.623 -14.423 1.00 0.00 +ATOM 745 CG1 VAL F 54 -20.311 16.473 -13.503 1.00 0.00 +ATOM 746 1HG1 VAL F 54 -20.661 17.073 -14.343 1.00 0.00 +ATOM 747 2HG1 VAL F 54 -21.071 16.273 -12.743 1.00 0.00 +ATOM 748 3HG1 VAL F 54 -19.521 17.083 -13.083 1.00 0.00 +ATOM 749 CG2 VAL F 54 -19.001 15.303 -15.343 1.00 0.00 +ATOM 750 1HG2 VAL F 54 -18.181 15.993 -15.153 1.00 0.00 +ATOM 751 2HG2 VAL F 54 -18.641 14.373 -15.773 1.00 0.00 +ATOM 752 3HG2 VAL F 54 -19.611 15.783 -16.103 1.00 0.00 +ATOM 753 C VAL F 54 -17.911 14.913 -12.463 1.00 0.00 +ATOM 754 O VAL F 54 -16.811 14.743 -12.973 1.00 0.00 +ATOM 755 N VAL F 55 -18.031 15.473 -11.253 1.00 0.00 +ATOM 756 H VAL F 55 -18.961 15.583 -10.883 1.00 0.00 +ATOM 757 CA VAL F 55 -16.891 15.923 -10.472 1.00 0.00 +ATOM 758 HA VAL F 55 -16.311 16.513 -11.182 1.00 0.00 +ATOM 759 CB VAL F 55 -17.281 16.963 -9.423 1.00 0.00 +ATOM 760 HB VAL F 55 -18.161 17.523 -9.753 1.00 0.00 +ATOM 761 CG1 VAL F 55 -17.611 16.253 -8.113 1.00 0.00 +ATOM 762 1HG1 VAL F 55 -16.681 15.903 -7.642 1.00 0.00 +ATOM 763 2HG1 VAL F 55 -17.901 16.923 -7.302 1.00 0.00 +ATOM 764 3HG1 VAL F 55 -18.331 15.443 -8.173 1.00 0.00 +ATOM 765 CG2 VAL F 55 -16.221 18.053 -9.253 1.00 0.00 +ATOM 766 1HG2 VAL F 55 -15.251 17.633 -8.983 1.00 0.00 +ATOM 767 2HG2 VAL F 55 -16.161 18.533 -10.222 1.00 0.00 +ATOM 768 3HG2 VAL F 55 -16.561 18.733 -8.463 1.00 0.00 +ATOM 769 C VAL F 55 -15.981 14.813 -9.993 1.00 0.00 +ATOM 770 O VAL F 55 -14.881 15.153 -9.562 1.00 0.00 +ATOM 771 N VAL F 56 -16.261 13.543 -10.283 1.00 0.00 +ATOM 772 H VAL F 56 -17.131 13.323 -10.733 1.00 0.00 +ATOM 773 CA VAL F 56 -15.331 12.513 -9.852 1.00 0.00 +ATOM 774 HA VAL F 56 -14.441 13.003 -9.463 1.00 0.00 +ATOM 775 CB VAL F 56 -15.951 11.713 -8.713 1.00 0.00 +ATOM 776 HB VAL F 56 -16.301 10.863 -9.293 1.00 0.00 +ATOM 777 CG1 VAL F 56 -14.751 11.463 -7.793 1.00 0.00 +ATOM 778 1HG1 VAL F 56 -13.821 11.053 -8.193 1.00 0.00 +ATOM 779 2HG1 VAL F 56 -14.511 12.353 -7.203 1.00 0.00 +ATOM 780 3HG1 VAL F 56 -14.971 10.713 -7.033 1.00 0.00 +ATOM 781 CG2 VAL F 56 -17.051 12.303 -7.823 1.00 0.00 +ATOM 782 1HG2 VAL F 56 -17.881 12.773 -8.333 1.00 0.00 +ATOM 783 2HG2 VAL F 56 -17.471 11.583 -7.133 1.00 0.00 +ATOM 784 3HG2 VAL F 56 -16.691 13.063 -7.142 1.00 0.00 +ATOM 785 C VAL F 56 -14.731 11.673 -10.972 1.00 0.00 +ATOM 786 O VAL F 56 -13.641 11.123 -10.823 1.00 0.00 +ATOM 787 N VAL F 57 -15.431 11.573 -12.103 1.00 0.00 +ATOM 788 H VAL F 57 -16.321 12.053 -12.123 1.00 0.00 +ATOM 789 CA VAL F 57 -15.121 10.573 -13.093 1.00 0.00 +ATOM 790 HA VAL F 57 -14.591 9.773 -12.573 1.00 0.00 +ATOM 791 CB VAL F 57 -16.411 10.003 -13.683 1.00 0.00 +ATOM 792 HB VAL F 57 -16.171 9.383 -14.543 1.00 0.00 +ATOM 793 CG1 VAL F 57 -17.191 9.053 -12.783 1.00 0.00 +ATOM 794 1HG1 VAL F 57 -17.231 9.543 -11.812 1.00 0.00 +ATOM 795 2HG1 VAL F 57 -18.181 8.833 -13.193 1.00 0.00 +ATOM 796 3HG1 VAL F 57 -16.601 8.153 -12.643 1.00 0.00 +ATOM 797 CG2 VAL F 57 -17.431 10.963 -14.283 1.00 0.00 +ATOM 798 1HG2 VAL F 57 -17.991 10.583 -15.133 1.00 0.00 +ATOM 799 2HG2 VAL F 57 -18.131 11.173 -13.483 1.00 0.00 +ATOM 800 3HG2 VAL F 57 -16.981 11.953 -14.423 1.00 0.00 +ATOM 801 C VAL F 57 -14.281 11.063 -14.263 1.00 0.00 +ATOM 802 O VAL F 57 -14.061 10.263 -15.173 1.00 0.00 +ATOM 803 N VAL F 58 -13.981 12.363 -14.383 1.00 0.00 +ATOM 804 H VAL F 58 -14.361 12.903 -13.623 1.00 0.00 +ATOM 805 CA VAL F 58 -13.211 13.033 -15.413 1.00 0.00 +ATOM 806 HA VAL F 58 -12.591 12.303 -15.903 1.00 0.00 +ATOM 807 CB VAL F 58 -14.071 13.583 -16.543 1.00 0.00 +ATOM 808 HB VAL F 58 -13.521 14.163 -17.283 1.00 0.00 +ATOM 809 CG1 VAL F 58 -14.551 12.453 -17.453 1.00 0.00 +ATOM 810 1HG1 VAL F 58 -15.051 11.703 -16.853 1.00 0.00 +ATOM 811 2HG1 VAL F 58 -15.191 12.823 -18.253 1.00 0.00 +ATOM 812 3HG1 VAL F 58 -13.671 12.063 -17.973 1.00 0.00 +ATOM 813 CG2 VAL F 58 -15.331 14.263 -16.013 1.00 0.00 +ATOM 814 1HG2 VAL F 58 -15.901 13.603 -15.363 1.00 0.00 +ATOM 815 2HG2 VAL F 58 -14.971 14.963 -15.253 1.00 0.00 +ATOM 816 3HG2 VAL F 58 -15.931 14.783 -16.763 1.00 0.00 +ATOM 817 C VAL F 58 -12.161 14.083 -15.062 1.00 0.00 +ATOM 818 O VAL F 58 -12.551 15.143 -14.583 1.00 0.00 +ATOM 819 N VAL F 59 -10.891 13.683 -15.123 1.00 0.00 +ATOM 820 H VAL F 59 -10.691 12.693 -15.173 1.00 0.00 +ATOM 821 CA VAL F 59 -9.751 14.523 -14.823 1.00 0.00 +ATOM 822 HA VAL F 59 -9.991 15.583 -14.853 1.00 0.00 +ATOM 823 CB VAL F 59 -9.161 14.273 -13.443 1.00 0.00 +ATOM 824 HB VAL F 59 -8.311 14.943 -13.373 1.00 0.00 +ATOM 825 CG1 VAL F 59 -10.081 14.633 -12.273 1.00 0.00 +ATOM 826 1HG1 VAL F 59 -9.481 14.533 -11.373 1.00 0.00 +ATOM 827 2HG1 VAL F 59 -10.451 15.653 -12.233 1.00 0.00 +ATOM 828 3HG1 VAL F 59 -10.951 14.003 -12.083 1.00 0.00 +ATOM 829 CG2 VAL F 59 -8.761 12.823 -13.193 1.00 0.00 +ATOM 830 1HG2 VAL F 59 -8.071 12.313 -13.863 1.00 0.00 +ATOM 831 2HG2 VAL F 59 -8.161 12.773 -12.293 1.00 0.00 +ATOM 832 3HG2 VAL F 59 -9.641 12.163 -13.163 1.00 0.00 +ATOM 833 C VAL F 59 -8.641 14.243 -15.823 1.00 0.00 +ATOM 834 O VAL F 59 -7.861 15.183 -15.993 1.00 0.00 +ATOM 835 N NME F 60 -8.621 13.103 -16.533 1.00 0.00 +ATOM 836 H NME F 60 -9.421 12.493 -16.463 1.00 0.00 +ATOM 837 CH3 NME F 60 -7.411 12.723 -17.233 1.00 0.00 +ATOM 838 1HH3 NME F 60 -7.231 11.653 -17.343 1.00 0.00 +ATOM 839 2HH3 NME F 60 -7.551 13.043 -18.263 1.00 0.00 +ATOM 840 3HH3 NME F 60 -6.621 13.283 -16.733 1.00 0.00 +ATOM 841 1HH3 ACE G 61 -25.581 2.026 -7.713 1.00 0.00 +ATOM 842 CH3 ACE G 61 -26.181 2.566 -8.443 1.00 0.00 +ATOM 843 2HH3 ACE G 61 -25.681 3.536 -8.463 1.00 0.00 +ATOM 844 3HH3 ACE G 61 -27.191 2.676 -8.073 1.00 0.00 +ATOM 845 C ACE G 61 -26.241 1.906 -9.812 1.00 0.00 +ATOM 846 O ACE G 61 -25.281 1.246 -10.213 1.00 0.00 +ATOM 847 N VAL G 62 -27.271 2.206 -10.613 1.00 0.00 +ATOM 848 H VAL G 62 -27.831 2.956 -10.253 1.00 0.00 +ATOM 849 CA VAL G 62 -27.601 1.586 -11.883 1.00 0.00 +ATOM 850 HA VAL G 62 -27.661 0.506 -11.762 1.00 0.00 +ATOM 851 CB VAL G 62 -29.021 1.876 -12.353 1.00 0.00 +ATOM 852 HB VAL G 62 -29.051 1.876 -13.443 1.00 0.00 +ATOM 853 CG1 VAL G 62 -29.881 0.866 -11.602 1.00 0.00 +ATOM 854 1HG1 VAL G 62 -29.571 -0.124 -11.923 1.00 0.00 +ATOM 855 2HG1 VAL G 62 -29.781 0.816 -10.512 1.00 0.00 +ATOM 856 3HG1 VAL G 62 -30.921 1.046 -11.843 1.00 0.00 +ATOM 857 CG2 VAL G 62 -29.351 3.336 -12.023 1.00 0.00 +ATOM 858 1HG2 VAL G 62 -30.241 3.606 -12.593 1.00 0.00 +ATOM 859 2HG2 VAL G 62 -29.501 3.426 -10.943 1.00 0.00 +ATOM 860 3HG2 VAL G 62 -28.561 3.896 -12.503 1.00 0.00 +ATOM 861 C VAL G 62 -26.601 1.756 -13.023 1.00 0.00 +ATOM 862 O VAL G 62 -26.671 1.036 -14.013 1.00 0.00 +ATOM 863 N VAL G 63 -25.661 2.686 -12.833 1.00 0.00 +ATOM 864 H VAL G 63 -25.881 3.226 -12.003 1.00 0.00 +ATOM 865 CA VAL G 63 -24.631 2.986 -13.803 1.00 0.00 +ATOM 866 HA VAL G 63 -24.941 2.566 -14.753 1.00 0.00 +ATOM 867 CB VAL G 63 -24.431 4.486 -14.043 1.00 0.00 +ATOM 868 HB VAL G 63 -23.601 4.576 -14.733 1.00 0.00 +ATOM 869 CG1 VAL G 63 -25.671 4.926 -14.803 1.00 0.00 +ATOM 870 1HG1 VAL G 63 -26.581 4.846 -14.203 1.00 0.00 +ATOM 871 2HG1 VAL G 63 -25.591 5.996 -15.013 1.00 0.00 +ATOM 872 3HG1 VAL G 63 -25.881 4.336 -15.693 1.00 0.00 +ATOM 873 CG2 VAL G 63 -24.301 5.506 -12.913 1.00 0.00 +ATOM 874 1HG2 VAL G 63 -24.001 6.476 -13.303 1.00 0.00 +ATOM 875 2HG2 VAL G 63 -25.301 5.746 -12.533 1.00 0.00 +ATOM 876 3HG2 VAL G 63 -23.571 5.126 -12.193 1.00 0.00 +ATOM 877 C VAL G 63 -23.331 2.246 -13.543 1.00 0.00 +ATOM 878 O VAL G 63 -22.521 2.236 -14.473 1.00 0.00 +ATOM 879 N VAL G 64 -23.211 1.426 -12.503 1.00 0.00 +ATOM 880 H VAL G 64 -23.941 1.486 -11.802 1.00 0.00 +ATOM 881 CA VAL G 64 -22.051 0.636 -12.143 1.00 0.00 +ATOM 882 HA VAL G 64 -21.491 0.466 -13.062 1.00 0.00 +ATOM 883 CB VAL G 64 -21.281 1.406 -11.073 1.00 0.00 +ATOM 884 HB VAL G 64 -20.551 0.646 -10.773 1.00 0.00 +ATOM 885 CG1 VAL G 64 -20.581 2.616 -11.693 1.00 0.00 +ATOM 886 1HG1 VAL G 64 -21.231 3.386 -12.113 1.00 0.00 +ATOM 887 2HG1 VAL G 64 -19.961 3.086 -10.932 1.00 0.00 +ATOM 888 3HG1 VAL G 64 -19.821 2.286 -12.393 1.00 0.00 +ATOM 889 CG2 VAL G 64 -22.081 1.716 -9.812 1.00 0.00 +ATOM 890 1HG2 VAL G 64 -21.521 2.246 -9.052 1.00 0.00 +ATOM 891 2HG2 VAL G 64 -23.051 2.196 -9.972 1.00 0.00 +ATOM 892 3HG2 VAL G 64 -22.331 0.746 -9.373 1.00 0.00 +ATOM 893 C VAL G 64 -22.381 -0.764 -11.653 1.00 0.00 +ATOM 894 O VAL G 64 -21.611 -1.674 -11.972 1.00 0.00 +ATOM 895 N VAL G 65 -23.511 -1.074 -11.003 1.00 0.00 +ATOM 896 H VAL G 65 -24.031 -0.284 -10.633 1.00 0.00 +ATOM 897 CA VAL G 65 -23.901 -2.424 -10.653 1.00 0.00 +ATOM 898 HA VAL G 65 -23.051 -2.784 -10.073 1.00 0.00 +ATOM 899 CB VAL G 65 -25.071 -2.544 -9.682 1.00 0.00 +ATOM 900 HB VAL G 65 -25.271 -3.594 -9.453 1.00 0.00 +ATOM 901 CG1 VAL G 65 -24.801 -1.914 -8.323 1.00 0.00 +ATOM 902 1HG1 VAL G 65 -25.641 -2.044 -7.642 1.00 0.00 +ATOM 903 2HG1 VAL G 65 -23.971 -2.484 -7.883 1.00 0.00 +ATOM 904 3HG1 VAL G 65 -24.631 -0.844 -8.472 1.00 0.00 +ATOM 905 CG2 VAL G 65 -26.321 -1.924 -10.283 1.00 0.00 +ATOM 906 1HG2 VAL G 65 -27.111 -1.864 -9.533 1.00 0.00 +ATOM 907 2HG2 VAL G 65 -26.091 -0.934 -10.682 1.00 0.00 +ATOM 908 3HG2 VAL G 65 -26.731 -2.384 -11.182 1.00 0.00 +ATOM 909 C VAL G 65 -23.891 -3.434 -11.793 1.00 0.00 +ATOM 910 O VAL G 65 -23.501 -4.584 -11.593 1.00 0.00 +ATOM 911 N VAL G 66 -24.231 -2.934 -12.983 1.00 0.00 +ATOM 912 H VAL G 66 -24.481 -1.954 -13.033 1.00 0.00 +ATOM 913 CA VAL G 66 -24.311 -3.724 -14.193 1.00 0.00 +ATOM 914 HA VAL G 66 -25.021 -4.544 -14.033 1.00 0.00 +ATOM 915 CB VAL G 66 -24.971 -2.924 -15.303 1.00 0.00 +ATOM 916 HB VAL G 66 -24.941 -3.394 -16.293 1.00 0.00 +ATOM 917 CG1 VAL G 66 -26.461 -2.724 -15.053 1.00 0.00 +ATOM 918 1HG1 VAL G 66 -26.861 -2.264 -15.963 1.00 0.00 +ATOM 919 2HG1 VAL G 66 -26.891 -3.724 -14.993 1.00 0.00 +ATOM 920 3HG1 VAL G 66 -26.621 -2.144 -14.153 1.00 0.00 +ATOM 921 CG2 VAL G 66 -24.261 -1.574 -15.333 1.00 0.00 +ATOM 922 1HG2 VAL G 66 -24.741 -1.014 -14.533 1.00 0.00 +ATOM 923 2HG2 VAL G 66 -23.181 -1.724 -15.303 1.00 0.00 +ATOM 924 3HG2 VAL G 66 -24.541 -1.174 -16.303 1.00 0.00 +ATOM 925 C VAL G 66 -22.951 -4.244 -14.653 1.00 0.00 +ATOM 926 O VAL G 66 -22.951 -5.134 -15.493 1.00 0.00 +ATOM 927 N VAL G 67 -21.841 -3.804 -14.053 1.00 0.00 +ATOM 928 H VAL G 67 -21.891 -3.154 -13.283 1.00 0.00 +ATOM 929 CA VAL G 67 -20.511 -4.204 -14.473 1.00 0.00 +ATOM 930 HA VAL G 67 -20.561 -5.224 -14.833 1.00 0.00 +ATOM 931 CB VAL G 67 -20.021 -3.314 -15.613 1.00 0.00 +ATOM 932 HB VAL G 67 -20.791 -3.344 -16.383 1.00 0.00 +ATOM 933 CG1 VAL G 67 -19.811 -1.884 -15.133 1.00 0.00 +ATOM 934 1HG1 VAL G 67 -19.571 -1.334 -16.043 1.00 0.00 +ATOM 935 2HG1 VAL G 67 -20.701 -1.534 -14.613 1.00 0.00 +ATOM 936 3HG1 VAL G 67 -19.081 -1.934 -14.323 1.00 0.00 +ATOM 937 CG2 VAL G 67 -18.871 -3.954 -16.393 1.00 0.00 +ATOM 938 1HG2 VAL G 67 -18.891 -5.044 -16.453 1.00 0.00 +ATOM 939 2HG2 VAL G 67 -18.861 -3.564 -17.403 1.00 0.00 +ATOM 940 3HG2 VAL G 67 -17.901 -3.644 -15.993 1.00 0.00 +ATOM 941 C VAL G 67 -19.541 -4.334 -13.312 1.00 0.00 +ATOM 942 O VAL G 67 -18.461 -4.884 -13.562 1.00 0.00 +ATOM 943 N VAL G 68 -19.791 -3.964 -12.062 1.00 0.00 +ATOM 944 H VAL G 68 -20.501 -3.274 -11.843 1.00 0.00 +ATOM 945 CA VAL G 68 -18.881 -4.064 -10.943 1.00 0.00 +ATOM 946 HA VAL G 68 -18.101 -3.374 -11.273 1.00 0.00 +ATOM 947 CB VAL G 68 -19.491 -3.614 -9.613 1.00 0.00 +ATOM 948 HB VAL G 68 -18.721 -3.864 -8.883 1.00 0.00 +ATOM 949 CG1 VAL G 68 -19.831 -2.144 -9.423 1.00 0.00 +ATOM 950 1HG1 VAL G 68 -19.771 -1.944 -8.352 1.00 0.00 +ATOM 951 2HG1 VAL G 68 -19.131 -1.494 -9.953 1.00 0.00 +ATOM 952 3HG1 VAL G 68 -20.891 -1.964 -9.583 1.00 0.00 +ATOM 953 CG2 VAL G 68 -20.671 -4.494 -9.213 1.00 0.00 +ATOM 954 1HG2 VAL G 68 -20.321 -5.524 -9.173 1.00 0.00 +ATOM 955 2HG2 VAL G 68 -21.071 -4.194 -8.243 1.00 0.00 +ATOM 956 3HG2 VAL G 68 -21.451 -4.404 -9.972 1.00 0.00 +ATOM 957 C VAL G 68 -18.091 -5.344 -10.713 1.00 0.00 +ATOM 958 O VAL G 68 -16.941 -5.304 -10.302 1.00 0.00 +ATOM 959 N VAL G 69 -18.641 -6.504 -11.102 1.00 0.00 +ATOM 960 H VAL G 69 -19.641 -6.544 -11.182 1.00 0.00 +ATOM 961 CA VAL G 69 -17.921 -7.744 -11.253 1.00 0.00 +ATOM 962 HA VAL G 69 -16.881 -7.454 -11.383 1.00 0.00 +ATOM 963 CB VAL G 69 -18.001 -8.674 -10.043 1.00 0.00 +ATOM 964 HB VAL G 69 -17.511 -9.614 -10.302 1.00 0.00 +ATOM 965 CG1 VAL G 69 -17.441 -8.094 -8.743 1.00 0.00 +ATOM 966 1HG1 VAL G 69 -17.181 -8.894 -8.052 1.00 0.00 +ATOM 967 2HG1 VAL G 69 -16.471 -7.664 -8.972 1.00 0.00 +ATOM 968 3HG1 VAL G 69 -18.011 -7.314 -8.243 1.00 0.00 +ATOM 969 CG2 VAL G 69 -19.481 -8.994 -9.812 1.00 0.00 +ATOM 970 1HG2 VAL G 69 -19.791 -9.454 -10.753 1.00 0.00 +ATOM 971 2HG2 VAL G 69 -19.501 -9.694 -8.983 1.00 0.00 +ATOM 972 3HG2 VAL G 69 -20.031 -8.104 -9.503 1.00 0.00 +ATOM 973 C VAL G 69 -18.271 -8.494 -12.523 1.00 0.00 +ATOM 974 O VAL G 69 -18.211 -9.724 -12.553 1.00 0.00 +ATOM 975 N NME G 70 -18.591 -7.764 -13.593 1.00 0.00 +ATOM 976 H NME G 70 -18.551 -6.764 -13.503 1.00 0.00 +ATOM 977 CH3 NME G 70 -18.751 -8.124 -14.993 1.00 0.00 +ATOM 978 1HH3 NME G 70 -18.161 -7.364 -15.513 1.00 0.00 +ATOM 979 2HH3 NME G 70 -18.151 -9.024 -15.163 1.00 0.00 +ATOM 980 3HH3 NME G 70 -19.741 -8.244 -15.413 1.00 0.00 +ATOM 981 1HH3 ACE H 71 15.473 32.003 -21.367 1.00 0.00 +ATOM 982 CH3 ACE H 71 15.923 32.083 -20.378 1.00 0.00 +ATOM 983 2HH3 ACE H 71 15.383 32.853 -19.817 1.00 0.00 +ATOM 984 3HH3 ACE H 71 16.973 32.323 -20.517 1.00 0.00 +ATOM 985 C ACE H 71 15.803 30.813 -19.547 1.00 0.00 +ATOM 986 O ACE H 71 16.723 30.013 -19.407 1.00 0.00 +ATOM 987 N VAL H 72 14.633 30.643 -18.938 1.00 0.00 +ATOM 988 H VAL H 72 13.993 31.363 -19.227 1.00 0.00 +ATOM 989 CA VAL H 72 14.233 29.543 -18.088 1.00 0.00 +ATOM 990 HA VAL H 72 14.953 29.433 -17.277 1.00 0.00 +ATOM 991 CB VAL H 72 12.943 30.023 -17.427 1.00 0.00 +ATOM 992 HB VAL H 72 13.063 31.023 -16.997 1.00 0.00 +ATOM 993 CG1 VAL H 72 11.663 30.033 -18.258 1.00 0.00 +ATOM 994 1HG1 VAL H 72 11.743 30.713 -19.108 1.00 0.00 +ATOM 995 2HG1 VAL H 72 11.393 29.023 -18.597 1.00 0.00 +ATOM 996 3HG1 VAL H 72 10.843 30.313 -17.597 1.00 0.00 +ATOM 997 CG2 VAL H 72 12.643 29.203 -16.177 1.00 0.00 +ATOM 998 1HG2 VAL H 72 13.553 29.033 -15.608 1.00 0.00 +ATOM 999 2HG2 VAL H 72 11.983 29.733 -15.487 1.00 0.00 +ATOM 1000 3HG2 VAL H 72 12.153 28.243 -16.377 1.00 0.00 +ATOM 1001 C VAL H 72 14.183 28.173 -18.738 1.00 0.00 +ATOM 1002 O VAL H 72 13.573 27.233 -18.228 1.00 0.00 +ATOM 1003 N VAL H 73 14.763 27.893 -19.918 1.00 0.00 +ATOM 1004 H VAL H 73 15.273 28.663 -20.308 1.00 0.00 +ATOM 1005 CA VAL H 73 14.713 26.663 -20.677 1.00 0.00 +ATOM 1006 HA VAL H 73 13.643 26.583 -20.887 1.00 0.00 +ATOM 1007 CB VAL H 73 15.443 26.683 -22.008 1.00 0.00 +ATOM 1008 HB VAL H 73 15.123 25.903 -22.698 1.00 0.00 +ATOM 1009 CG1 VAL H 73 15.143 27.963 -22.788 1.00 0.00 +ATOM 1010 1HG1 VAL H 73 15.593 28.803 -22.258 1.00 0.00 +ATOM 1011 2HG1 VAL H 73 15.593 27.893 -23.777 1.00 0.00 +ATOM 1012 3HG1 VAL H 73 14.053 28.043 -22.808 1.00 0.00 +ATOM 1013 CG2 VAL H 73 16.963 26.603 -21.848 1.00 0.00 +ATOM 1014 1HG2 VAL H 73 17.263 25.623 -21.488 1.00 0.00 +ATOM 1015 2HG2 VAL H 73 17.563 26.813 -22.727 1.00 0.00 +ATOM 1016 3HG2 VAL H 73 17.223 27.293 -21.047 1.00 0.00 +ATOM 1017 C VAL H 73 15.073 25.383 -19.948 1.00 0.00 +ATOM 1018 O VAL H 73 14.753 24.333 -20.508 1.00 0.00 +ATOM 1019 N VAL H 74 15.733 25.393 -18.788 1.00 0.00 +ATOM 1020 H VAL H 74 16.063 26.263 -18.398 1.00 0.00 +ATOM 1021 CA VAL H 74 16.093 24.263 -17.947 1.00 0.00 +ATOM 1022 HA VAL H 74 16.943 23.763 -18.398 1.00 0.00 +ATOM 1023 CB VAL H 74 16.563 24.793 -16.597 1.00 0.00 +ATOM 1024 HB VAL H 74 16.783 23.913 -15.978 1.00 0.00 +ATOM 1025 CG1 VAL H 74 17.913 25.473 -16.807 1.00 0.00 +ATOM 1026 1HG1 VAL H 74 17.753 26.313 -17.478 1.00 0.00 +ATOM 1027 2HG1 VAL H 74 18.373 25.743 -15.858 1.00 0.00 +ATOM 1028 3HG1 VAL H 74 18.543 24.823 -17.408 1.00 0.00 +ATOM 1029 CG2 VAL H 74 15.613 25.643 -15.758 1.00 0.00 +ATOM 1030 1HG2 VAL H 74 15.223 26.563 -16.188 1.00 0.00 +ATOM 1031 2HG2 VAL H 74 14.693 25.103 -15.497 1.00 0.00 +ATOM 1032 3HG2 VAL H 74 16.203 25.843 -14.868 1.00 0.00 +ATOM 1033 C VAL H 74 14.933 23.293 -17.747 1.00 0.00 +ATOM 1034 O VAL H 74 15.223 22.103 -17.588 1.00 0.00 +ATOM 1035 N VAL H 75 13.693 23.773 -17.817 1.00 0.00 +ATOM 1036 H VAL H 75 13.533 24.763 -17.917 1.00 0.00 +ATOM 1037 CA VAL H 75 12.513 22.963 -17.658 1.00 0.00 +ATOM 1038 HA VAL H 75 12.843 22.203 -16.957 1.00 0.00 +ATOM 1039 CB VAL H 75 11.343 23.743 -17.067 1.00 0.00 +ATOM 1040 HB VAL H 75 10.543 23.043 -16.807 1.00 0.00 +ATOM 1041 CG1 VAL H 75 11.623 24.493 -15.768 1.00 0.00 +ATOM 1042 1HG1 VAL H 75 12.153 25.443 -15.858 1.00 0.00 +ATOM 1043 2HG1 VAL H 75 10.713 24.663 -15.188 1.00 0.00 +ATOM 1044 3HG1 VAL H 75 12.163 23.873 -15.048 1.00 0.00 +ATOM 1045 CG2 VAL H 75 10.753 24.803 -17.987 1.00 0.00 +ATOM 1046 1HG2 VAL H 75 9.773 25.193 -17.707 1.00 0.00 +ATOM 1047 2HG2 VAL H 75 11.523 25.563 -18.097 1.00 0.00 +ATOM 1048 3HG2 VAL H 75 10.613 24.343 -18.968 1.00 0.00 +ATOM 1049 C VAL H 75 12.053 22.223 -18.918 1.00 0.00 +ATOM 1050 O VAL H 75 11.073 21.493 -18.977 1.00 0.00 +ATOM 1051 N VAL H 76 12.673 22.493 -20.067 1.00 0.00 +ATOM 1052 H VAL H 76 13.533 23.033 -20.087 1.00 0.00 +ATOM 1053 CA VAL H 76 12.343 21.943 -21.367 1.00 0.00 +ATOM 1054 HA VAL H 76 11.373 21.463 -21.247 1.00 0.00 +ATOM 1055 CB VAL H 76 12.113 22.983 -22.457 1.00 0.00 +ATOM 1056 HB VAL H 76 13.073 23.423 -22.747 1.00 0.00 +ATOM 1057 CG1 VAL H 76 11.503 22.393 -23.727 1.00 0.00 +ATOM 1058 1HG1 VAL H 76 12.303 21.913 -24.297 1.00 0.00 +ATOM 1059 2HG1 VAL H 76 10.623 21.753 -23.608 1.00 0.00 +ATOM 1060 3HG1 VAL H 76 11.043 23.253 -24.207 1.00 0.00 +ATOM 1061 CG2 VAL H 76 11.243 24.133 -21.938 1.00 0.00 +ATOM 1062 1HG2 VAL H 76 10.333 23.613 -21.617 1.00 0.00 +ATOM 1063 2HG2 VAL H 76 11.673 24.663 -21.087 1.00 0.00 +ATOM 1064 3HG2 VAL H 76 11.193 24.913 -22.698 1.00 0.00 +ATOM 1065 C VAL H 76 13.283 20.833 -21.828 1.00 0.00 +ATOM 1066 O VAL H 76 12.763 19.993 -22.558 1.00 0.00 +ATOM 1067 N VAL H 77 14.563 20.763 -21.457 1.00 0.00 +ATOM 1068 H VAL H 77 14.903 21.553 -20.938 1.00 0.00 +ATOM 1069 CA VAL H 77 15.453 19.773 -22.027 1.00 0.00 +ATOM 1070 HA VAL H 77 15.413 19.883 -23.117 1.00 0.00 +ATOM 1071 CB VAL H 77 16.833 20.103 -21.477 1.00 0.00 +ATOM 1072 HB VAL H 77 17.543 19.433 -21.957 1.00 0.00 +ATOM 1073 CG1 VAL H 77 17.253 21.513 -21.878 1.00 0.00 +ATOM 1074 1HG1 VAL H 77 17.193 21.643 -22.957 1.00 0.00 +ATOM 1075 2HG1 VAL H 77 16.643 22.203 -21.308 1.00 0.00 +ATOM 1076 3HG1 VAL H 77 18.303 21.713 -21.677 1.00 0.00 +ATOM 1077 CG2 VAL H 77 17.033 19.803 -19.988 1.00 0.00 +ATOM 1078 1HG2 VAL H 77 18.023 20.153 -19.707 1.00 0.00 +ATOM 1079 2HG2 VAL H 77 16.223 20.333 -19.488 1.00 0.00 +ATOM 1080 3HG2 VAL H 77 16.903 18.733 -19.878 1.00 0.00 +ATOM 1081 C VAL H 77 15.083 18.303 -21.898 1.00 0.00 +ATOM 1082 O VAL H 77 15.573 17.483 -22.668 1.00 0.00 +ATOM 1083 N VAL H 78 14.163 18.003 -20.977 1.00 0.00 +ATOM 1084 H VAL H 78 13.693 18.793 -20.547 1.00 0.00 +ATOM 1085 CA VAL H 78 13.473 16.733 -20.858 1.00 0.00 +ATOM 1086 HA VAL H 78 14.233 15.973 -20.727 1.00 0.00 +ATOM 1087 CB VAL H 78 12.713 16.583 -19.538 1.00 0.00 +ATOM 1088 HB VAL H 78 12.213 15.613 -19.567 1.00 0.00 +ATOM 1089 CG1 VAL H 78 13.713 16.573 -18.387 1.00 0.00 +ATOM 1090 1HG1 VAL H 78 13.093 16.313 -17.538 1.00 0.00 +ATOM 1091 2HG1 VAL H 78 14.583 15.933 -18.557 1.00 0.00 +ATOM 1092 3HG1 VAL H 78 14.123 17.563 -18.167 1.00 0.00 +ATOM 1093 CG2 VAL H 78 11.763 17.773 -19.358 1.00 0.00 +ATOM 1094 1HG2 VAL H 78 10.913 17.833 -20.047 1.00 0.00 +ATOM 1095 2HG2 VAL H 78 11.393 17.693 -18.338 1.00 0.00 +ATOM 1096 3HG2 VAL H 78 12.263 18.703 -19.608 1.00 0.00 +ATOM 1097 C VAL H 78 12.583 16.263 -21.997 1.00 0.00 +ATOM 1098 O VAL H 78 12.453 15.063 -22.218 1.00 0.00 +ATOM 1099 N VAL H 79 12.123 17.173 -22.858 1.00 0.00 +ATOM 1100 H VAL H 79 12.203 18.123 -22.527 1.00 0.00 +ATOM 1101 CA VAL H 79 11.323 16.943 -24.047 1.00 0.00 +ATOM 1102 HA VAL H 79 11.473 15.883 -24.277 1.00 0.00 +ATOM 1103 CB VAL H 79 9.863 17.223 -23.688 1.00 0.00 +ATOM 1104 HB VAL H 79 9.313 16.943 -24.578 1.00 0.00 +ATOM 1105 CG1 VAL H 79 9.123 16.293 -22.738 1.00 0.00 +ATOM 1106 1HG1 VAL H 79 9.483 16.243 -21.707 1.00 0.00 +ATOM 1107 2HG1 VAL H 79 8.053 16.423 -22.898 1.00 0.00 +ATOM 1108 3HG1 VAL H 79 9.313 15.283 -23.078 1.00 0.00 +ATOM 1109 CG2 VAL H 79 9.513 18.673 -23.348 1.00 0.00 +ATOM 1110 1HG2 VAL H 79 10.073 18.953 -22.457 1.00 0.00 +ATOM 1111 2HG2 VAL H 79 9.703 19.363 -24.168 1.00 0.00 +ATOM 1112 3HG2 VAL H 79 8.483 18.703 -22.977 1.00 0.00 +ATOM 1113 C VAL H 79 11.693 17.753 -25.277 1.00 0.00 +ATOM 1114 O VAL H 79 11.003 17.653 -26.288 1.00 0.00 +ATOM 1115 N NME H 80 12.623 18.703 -25.148 1.00 0.00 +ATOM 1116 H NME H 80 13.153 18.653 -24.288 1.00 0.00 +ATOM 1117 CH3 NME H 80 13.123 19.553 -26.207 1.00 0.00 +ATOM 1118 1HH3 NME H 80 12.363 20.253 -26.587 1.00 0.00 +ATOM 1119 2HH3 NME H 80 13.943 20.153 -25.817 1.00 0.00 +ATOM 1120 3HH3 NME H 80 13.513 18.903 -26.988 1.00 0.00 +ATOM 1121 1HH3 ACE I 81 24.023 -14.554 -10.262 1.00 0.00 +ATOM 1122 CH3 ACE I 81 24.573 -15.294 -9.682 1.00 0.00 +ATOM 1123 2HH3 ACE I 81 24.143 -16.244 -9.983 1.00 0.00 +ATOM 1124 3HH3 ACE I 81 24.533 -14.934 -8.653 1.00 0.00 +ATOM 1125 C ACE I 81 26.053 -15.324 -10.043 1.00 0.00 +ATOM 1126 O ACE I 81 26.573 -16.414 -10.262 1.00 0.00 +ATOM 1127 N VAL I 82 26.723 -14.174 -10.023 1.00 0.00 +ATOM 1128 H VAL I 82 26.263 -13.304 -9.793 1.00 0.00 +ATOM 1129 CA VAL I 82 28.123 -14.064 -10.403 1.00 0.00 +ATOM 1130 HA VAL I 82 28.303 -14.554 -11.352 1.00 0.00 +ATOM 1131 CB VAL I 82 28.443 -12.584 -10.623 1.00 0.00 +ATOM 1132 HB VAL I 82 29.433 -12.574 -11.073 1.00 0.00 +ATOM 1133 CG1 VAL I 82 27.443 -11.984 -11.602 1.00 0.00 +ATOM 1134 1HG1 VAL I 82 27.343 -12.524 -12.543 1.00 0.00 +ATOM 1135 2HG1 VAL I 82 26.413 -11.774 -11.283 1.00 0.00 +ATOM 1136 3HG1 VAL I 82 27.703 -10.974 -11.913 1.00 0.00 +ATOM 1137 CG2 VAL I 82 28.353 -11.704 -9.383 1.00 0.00 +ATOM 1138 1HG2 VAL I 82 27.483 -11.914 -8.762 1.00 0.00 +ATOM 1139 2HG2 VAL I 82 29.193 -12.004 -8.753 1.00 0.00 +ATOM 1140 3HG2 VAL I 82 28.583 -10.674 -9.653 1.00 0.00 +ATOM 1141 C VAL I 82 29.153 -14.674 -9.463 1.00 0.00 +ATOM 1142 O VAL I 82 30.353 -14.464 -9.653 1.00 0.00 +ATOM 1143 N VAL I 83 28.723 -15.324 -8.373 1.00 0.00 +ATOM 1144 H VAL I 83 27.733 -15.514 -8.383 1.00 0.00 +ATOM 1145 CA VAL I 83 29.513 -15.844 -7.273 1.00 0.00 +ATOM 1146 HA VAL I 83 30.523 -15.824 -7.693 1.00 0.00 +ATOM 1147 CB VAL I 83 29.423 -14.964 -6.033 1.00 0.00 +ATOM 1148 HB VAL I 83 29.743 -15.634 -5.233 1.00 0.00 +ATOM 1149 CG1 VAL I 83 30.313 -13.724 -6.102 1.00 0.00 +ATOM 1150 1HG1 VAL I 83 31.343 -14.094 -6.043 1.00 0.00 +ATOM 1151 2HG1 VAL I 83 30.223 -13.194 -7.043 1.00 0.00 +ATOM 1152 3HG1 VAL I 83 30.083 -13.004 -5.323 1.00 0.00 +ATOM 1153 CG2 VAL I 83 27.973 -14.544 -5.802 1.00 0.00 +ATOM 1154 1HG2 VAL I 83 27.793 -14.354 -4.743 1.00 0.00 +ATOM 1155 2HG2 VAL I 83 27.633 -13.714 -6.413 1.00 0.00 +ATOM 1156 3HG2 VAL I 83 27.323 -15.364 -6.093 1.00 0.00 +ATOM 1157 C VAL I 83 29.123 -17.284 -6.972 1.00 0.00 +ATOM 1158 O VAL I 83 28.053 -17.724 -7.392 1.00 0.00 +ATOM 1159 N VAL I 84 29.933 -18.154 -6.383 1.00 0.00 +ATOM 1160 H VAL I 84 30.793 -17.754 -6.052 1.00 0.00 +ATOM 1161 CA VAL I 84 29.773 -19.604 -6.423 1.00 0.00 +ATOM 1162 HA VAL I 84 29.183 -19.944 -7.273 1.00 0.00 +ATOM 1163 CB VAL I 84 31.133 -20.264 -6.642 1.00 0.00 +ATOM 1164 HB VAL I 84 31.873 -19.924 -5.913 1.00 0.00 +ATOM 1165 CG1 VAL I 84 30.993 -21.784 -6.583 1.00 0.00 +ATOM 1166 1HG1 VAL I 84 30.763 -21.994 -5.543 1.00 0.00 +ATOM 1167 2HG1 VAL I 84 30.273 -22.004 -7.373 1.00 0.00 +ATOM 1168 3HG1 VAL I 84 31.943 -22.294 -6.793 1.00 0.00 +ATOM 1169 CG2 VAL I 84 31.733 -19.944 -8.003 1.00 0.00 +ATOM 1170 1HG2 VAL I 84 31.143 -20.404 -8.812 1.00 0.00 +ATOM 1171 2HG2 VAL I 84 31.663 -18.864 -8.133 1.00 0.00 +ATOM 1172 3HG2 VAL I 84 32.773 -20.254 -8.043 1.00 0.00 +ATOM 1173 C VAL I 84 28.953 -20.134 -5.262 1.00 0.00 +ATOM 1174 O VAL I 84 28.363 -21.194 -5.423 1.00 0.00 +ATOM 1175 N VAL I 85 28.723 -19.354 -4.203 1.00 0.00 +ATOM 1176 H VAL I 85 29.203 -18.474 -4.133 1.00 0.00 +ATOM 1177 CA VAL I 85 27.873 -19.654 -3.062 1.00 0.00 +ATOM 1178 HA VAL I 85 28.393 -20.454 -2.532 1.00 0.00 +ATOM 1179 CB VAL I 85 27.793 -18.524 -2.042 1.00 0.00 +ATOM 1180 HB VAL I 85 27.073 -18.924 -1.323 1.00 0.00 +ATOM 1181 CG1 VAL I 85 29.053 -18.144 -1.282 1.00 0.00 +ATOM 1182 1HG1 VAL I 85 29.853 -17.984 -2.003 1.00 0.00 +ATOM 1183 2HG1 VAL I 85 28.903 -17.314 -0.603 1.00 0.00 +ATOM 1184 3HG1 VAL I 85 29.473 -19.034 -0.802 1.00 0.00 +ATOM 1185 CG2 VAL I 85 27.273 -17.254 -2.712 1.00 0.00 +ATOM 1186 1HG2 VAL I 85 26.273 -17.394 -3.122 1.00 0.00 +ATOM 1187 2HG2 VAL I 85 27.243 -16.434 -1.993 1.00 0.00 +ATOM 1188 3HG2 VAL I 85 28.033 -16.964 -3.433 1.00 0.00 +ATOM 1189 C VAL I 85 26.463 -20.184 -3.282 1.00 0.00 +ATOM 1190 O VAL I 85 26.083 -21.114 -2.583 1.00 0.00 +ATOM 1191 N VAL I 86 25.693 -19.654 -4.233 1.00 0.00 +ATOM 1192 H VAL I 86 26.143 -18.914 -4.743 1.00 0.00 +ATOM 1193 CA VAL I 86 24.263 -19.834 -4.432 1.00 0.00 +ATOM 1194 HA VAL I 86 23.743 -19.534 -3.523 1.00 0.00 +ATOM 1195 CB VAL I 86 23.693 -18.894 -5.493 1.00 0.00 +ATOM 1196 HB VAL I 86 22.703 -19.264 -5.773 1.00 0.00 +ATOM 1197 CG1 VAL I 86 23.433 -17.534 -4.852 1.00 0.00 +ATOM 1198 1HG1 VAL I 86 22.963 -16.824 -5.543 1.00 0.00 +ATOM 1199 2HG1 VAL I 86 22.873 -17.594 -3.923 1.00 0.00 +ATOM 1200 3HG1 VAL I 86 24.403 -17.204 -4.483 1.00 0.00 +ATOM 1201 CG2 VAL I 86 24.523 -18.764 -6.762 1.00 0.00 +ATOM 1202 1HG2 VAL I 86 25.243 -17.974 -6.573 1.00 0.00 +ATOM 1203 2HG2 VAL I 86 24.993 -19.684 -7.113 1.00 0.00 +ATOM 1204 3HG2 VAL I 86 23.833 -18.434 -7.543 1.00 0.00 +ATOM 1205 C VAL I 86 23.893 -21.284 -4.722 1.00 0.00 +ATOM 1206 O VAL I 86 22.703 -21.584 -4.812 1.00 0.00 +ATOM 1207 N VAL I 87 24.863 -22.174 -4.923 1.00 0.00 +ATOM 1208 H VAL I 87 25.813 -21.844 -4.863 1.00 0.00 +ATOM 1209 CA VAL I 87 24.713 -23.534 -5.403 1.00 0.00 +ATOM 1210 HA VAL I 87 23.643 -23.774 -5.463 1.00 0.00 +ATOM 1211 CB VAL I 87 25.143 -23.614 -6.863 1.00 0.00 +ATOM 1212 HB VAL I 87 25.223 -24.674 -7.142 1.00 0.00 +ATOM 1213 CG1 VAL I 87 24.153 -22.994 -7.843 1.00 0.00 +ATOM 1214 1HG1 VAL I 87 23.133 -23.194 -7.543 1.00 0.00 +ATOM 1215 2HG1 VAL I 87 24.253 -21.904 -7.903 1.00 0.00 +ATOM 1216 3HG1 VAL I 87 24.343 -23.514 -8.783 1.00 0.00 +ATOM 1217 CG2 VAL I 87 26.573 -23.154 -7.142 1.00 0.00 +ATOM 1218 1HG2 VAL I 87 27.023 -23.614 -8.012 1.00 0.00 +ATOM 1219 2HG2 VAL I 87 26.633 -22.104 -7.403 1.00 0.00 +ATOM 1220 3HG2 VAL I 87 27.073 -23.324 -6.182 1.00 0.00 +ATOM 1221 C VAL I 87 25.373 -24.684 -4.663 1.00 0.00 +ATOM 1222 O VAL I 87 24.993 -25.834 -4.883 1.00 0.00 +ATOM 1223 N VAL I 88 26.233 -24.224 -3.753 1.00 0.00 +ATOM 1224 H VAL I 88 26.173 -23.224 -3.613 1.00 0.00 +ATOM 1225 CA VAL I 88 26.963 -25.014 -2.782 1.00 0.00 +ATOM 1226 HA VAL I 88 26.693 -26.064 -2.892 1.00 0.00 +ATOM 1227 CB VAL I 88 28.443 -24.864 -3.122 1.00 0.00 +ATOM 1228 HB VAL I 88 28.993 -25.524 -2.443 1.00 0.00 +ATOM 1229 CG1 VAL I 88 28.833 -25.344 -4.512 1.00 0.00 +ATOM 1230 1HG1 VAL I 88 28.393 -24.734 -5.302 1.00 0.00 +ATOM 1231 2HG1 VAL I 88 29.913 -25.454 -4.593 1.00 0.00 +ATOM 1232 3HG1 VAL I 88 28.423 -26.354 -4.593 1.00 0.00 +ATOM 1233 CG2 VAL I 88 28.903 -23.414 -2.972 1.00 0.00 +ATOM 1234 1HG2 VAL I 88 28.213 -22.684 -3.392 1.00 0.00 +ATOM 1235 2HG2 VAL I 88 28.973 -23.294 -1.903 1.00 0.00 +ATOM 1236 3HG2 VAL I 88 29.923 -23.274 -3.323 1.00 0.00 +ATOM 1237 C VAL I 88 26.713 -24.784 -1.292 1.00 0.00 +ATOM 1238 O VAL I 88 26.833 -25.744 -0.532 1.00 0.00 +ATOM 1239 N VAL I 89 26.433 -23.534 -0.943 1.00 0.00 +ATOM 1240 H VAL I 89 26.463 -22.854 -1.693 1.00 0.00 +ATOM 1241 CA VAL I 89 26.053 -23.024 0.368 1.00 0.00 +ATOM 1242 HA VAL I 89 25.703 -23.894 0.917 1.00 0.00 +ATOM 1243 CB VAL I 89 27.183 -22.504 1.237 1.00 0.00 +ATOM 1244 HB VAL I 89 26.673 -22.084 2.108 1.00 0.00 +ATOM 1245 CG1 VAL I 89 28.253 -23.434 1.798 1.00 0.00 +ATOM 1246 1HG1 VAL I 89 28.843 -22.744 2.397 1.00 0.00 +ATOM 1247 2HG1 VAL I 89 27.703 -24.174 2.368 1.00 0.00 +ATOM 1248 3HG1 VAL I 89 28.863 -23.894 1.017 1.00 0.00 +ATOM 1249 CG2 VAL I 89 28.063 -21.474 0.517 1.00 0.00 +ATOM 1250 1HG2 VAL I 89 28.673 -21.974 -0.233 1.00 0.00 +ATOM 1251 2HG2 VAL I 89 27.433 -20.784 -0.052 1.00 0.00 +ATOM 1252 3HG2 VAL I 89 28.593 -20.804 1.208 1.00 0.00 +ATOM 1253 C VAL I 89 24.903 -22.044 0.177 1.00 0.00 +ATOM 1254 O VAL I 89 24.833 -20.974 0.778 1.00 0.00 +ATOM 1255 N NME I 90 23.843 -22.344 -0.593 1.00 0.00 +ATOM 1256 H NME I 90 23.833 -23.284 -0.972 1.00 0.00 +ATOM 1257 CH3 NME I 90 22.713 -21.514 -0.943 1.00 0.00 +ATOM 1258 1HH3 NME I 90 21.823 -21.644 -0.312 1.00 0.00 +ATOM 1259 2HH3 NME I 90 22.983 -20.474 -1.073 1.00 0.00 +ATOM 1260 3HH3 NME I 90 22.433 -21.904 -1.923 1.00 0.00 +ATOM 1261 1HH3 ACE J 91 -20.431 -10.024 13.017 1.00 0.00 +ATOM 1262 CH3 ACE J 91 -19.651 -9.714 13.718 1.00 0.00 +ATOM 1263 2HH3 ACE J 91 -18.751 -10.234 13.387 1.00 0.00 +ATOM 1264 3HH3 ACE J 91 -19.941 -9.964 14.738 1.00 0.00 +ATOM 1265 C ACE J 91 -19.491 -8.204 13.617 1.00 0.00 +ATOM 1266 O ACE J 91 -18.381 -7.694 13.527 1.00 0.00 +ATOM 1267 N VAL J 92 -20.551 -7.414 13.808 1.00 0.00 +ATOM 1268 H VAL J 92 -21.481 -7.804 13.817 1.00 0.00 +ATOM 1269 CA VAL J 92 -20.451 -5.974 13.808 1.00 0.00 +ATOM 1270 HA VAL J 92 -19.431 -5.644 13.977 1.00 0.00 +ATOM 1271 CB VAL J 92 -20.851 -5.384 12.448 1.00 0.00 +ATOM 1272 HB VAL J 92 -20.551 -4.334 12.468 1.00 0.00 +ATOM 1273 CG1 VAL J 92 -20.171 -6.054 11.257 1.00 0.00 +ATOM 1274 1HG1 VAL J 92 -20.381 -5.474 10.358 1.00 0.00 +ATOM 1275 2HG1 VAL J 92 -19.091 -6.094 11.407 1.00 0.00 +ATOM 1276 3HG1 VAL J 92 -20.511 -7.084 11.147 1.00 0.00 +ATOM 1277 CG2 VAL J 92 -22.311 -5.564 12.047 1.00 0.00 +ATOM 1278 1HG2 VAL J 92 -22.961 -5.444 12.907 1.00 0.00 +ATOM 1279 2HG2 VAL J 92 -22.671 -4.794 11.368 1.00 0.00 +ATOM 1280 3HG2 VAL J 92 -22.481 -6.554 11.637 1.00 0.00 +ATOM 1281 C VAL J 92 -21.261 -5.434 14.977 1.00 0.00 +ATOM 1282 O VAL J 92 -21.031 -4.324 15.448 1.00 0.00 +ATOM 1283 N VAL J 93 -22.031 -6.284 15.668 1.00 0.00 +ATOM 1284 H VAL J 93 -22.471 -7.054 15.177 1.00 0.00 +ATOM 1285 CA VAL J 93 -22.681 -6.064 16.948 1.00 0.00 +ATOM 1286 HA VAL J 93 -23.111 -5.074 16.808 1.00 0.00 +ATOM 1287 CB VAL J 93 -23.771 -7.084 17.238 1.00 0.00 +ATOM 1288 HB VAL J 93 -24.021 -6.764 18.258 1.00 0.00 +ATOM 1289 CG1 VAL J 93 -25.001 -6.904 16.358 1.00 0.00 +ATOM 1290 1HG1 VAL J 93 -25.391 -5.894 16.448 1.00 0.00 +ATOM 1291 2HG1 VAL J 93 -24.751 -7.194 15.337 1.00 0.00 +ATOM 1292 3HG1 VAL J 93 -25.721 -7.574 16.837 1.00 0.00 +ATOM 1293 CG2 VAL J 93 -23.121 -8.464 17.198 1.00 0.00 +ATOM 1294 1HG2 VAL J 93 -23.841 -9.234 17.427 1.00 0.00 +ATOM 1295 2HG2 VAL J 93 -22.891 -8.694 16.157 1.00 0.00 +ATOM 1296 3HG2 VAL J 93 -22.201 -8.654 17.758 1.00 0.00 +ATOM 1297 C VAL J 93 -21.741 -5.784 18.108 1.00 0.00 +ATOM 1298 O VAL J 93 -22.241 -5.254 19.087 1.00 0.00 +ATOM 1299 N VAL J 94 -20.441 -6.084 17.997 1.00 0.00 +ATOM 1300 H VAL J 94 -20.101 -6.464 17.128 1.00 0.00 +ATOM 1301 CA VAL J 94 -19.391 -5.794 18.957 1.00 0.00 +ATOM 1302 HA VAL J 94 -19.721 -6.124 19.937 1.00 0.00 +ATOM 1303 CB VAL J 94 -18.141 -6.614 18.657 1.00 0.00 +ATOM 1304 HB VAL J 94 -17.371 -6.354 19.387 1.00 0.00 +ATOM 1305 CG1 VAL J 94 -18.501 -8.094 18.628 1.00 0.00 +ATOM 1306 1HG1 VAL J 94 -17.691 -8.704 19.027 1.00 0.00 +ATOM 1307 2HG1 VAL J 94 -19.421 -8.364 19.148 1.00 0.00 +ATOM 1308 3HG1 VAL J 94 -18.691 -8.494 17.628 1.00 0.00 +ATOM 1309 CG2 VAL J 94 -17.551 -6.204 17.317 1.00 0.00 +ATOM 1310 1HG2 VAL J 94 -18.221 -6.404 16.468 1.00 0.00 +ATOM 1311 2HG2 VAL J 94 -17.381 -5.124 17.347 1.00 0.00 +ATOM 1312 3HG2 VAL J 94 -16.601 -6.734 17.187 1.00 0.00 +ATOM 1313 C VAL J 94 -19.061 -4.324 19.128 1.00 0.00 +ATOM 1314 O VAL J 94 -18.331 -4.004 20.067 1.00 0.00 +ATOM 1315 N VAL J 95 -19.751 -3.354 18.527 1.00 0.00 +ATOM 1316 H VAL J 95 -20.191 -3.444 17.617 1.00 0.00 +ATOM 1317 CA VAL J 95 -19.801 -1.994 19.017 1.00 0.00 +ATOM 1318 HA VAL J 95 -18.721 -1.814 18.997 1.00 0.00 +ATOM 1319 CB VAL J 95 -20.571 -1.014 18.148 1.00 0.00 +ATOM 1320 HB VAL J 95 -20.981 -0.174 18.718 1.00 0.00 +ATOM 1321 CG1 VAL J 95 -19.761 -0.534 16.957 1.00 0.00 +ATOM 1322 1HG1 VAL J 95 -19.401 -1.344 16.317 1.00 0.00 +ATOM 1323 2HG1 VAL J 95 -20.231 0.156 16.247 1.00 0.00 +ATOM 1324 3HG1 VAL J 95 -18.881 -0.004 17.308 1.00 0.00 +ATOM 1325 CG2 VAL J 95 -21.831 -1.654 17.578 1.00 0.00 +ATOM 1326 1HG2 VAL J 95 -22.451 -0.934 17.038 1.00 0.00 +ATOM 1327 2HG2 VAL J 95 -21.621 -2.454 16.878 1.00 0.00 +ATOM 1328 3HG2 VAL J 95 -22.531 -2.044 18.328 1.00 0.00 +ATOM 1329 C VAL J 95 -20.251 -1.794 20.457 1.00 0.00 +ATOM 1330 O VAL J 95 -19.731 -0.864 21.078 1.00 0.00 +ATOM 1331 N VAL J 96 -21.241 -2.594 20.847 1.00 0.00 +ATOM 1332 H VAL J 96 -21.311 -3.394 20.227 1.00 0.00 +ATOM 1333 CA VAL J 96 -21.981 -2.414 22.087 1.00 0.00 +ATOM 1334 HA VAL J 96 -22.271 -1.374 22.238 1.00 0.00 +ATOM 1335 CB VAL J 96 -23.321 -3.144 22.058 1.00 0.00 +ATOM 1336 HB VAL J 96 -23.761 -3.024 21.067 1.00 0.00 +ATOM 1337 CG1 VAL J 96 -23.201 -4.634 22.358 1.00 0.00 +ATOM 1338 1HG1 VAL J 96 -22.891 -4.794 23.387 1.00 0.00 +ATOM 1339 2HG1 VAL J 96 -24.111 -5.214 22.218 1.00 0.00 +ATOM 1340 3HG1 VAL J 96 -22.451 -5.054 21.687 1.00 0.00 +ATOM 1341 CG2 VAL J 96 -24.361 -2.634 23.058 1.00 0.00 +ATOM 1342 1HG2 VAL J 96 -24.051 -2.784 24.087 1.00 0.00 +ATOM 1343 2HG2 VAL J 96 -24.581 -1.614 22.738 1.00 0.00 +ATOM 1344 3HG2 VAL J 96 -25.301 -3.134 22.867 1.00 0.00 +ATOM 1345 C VAL J 96 -21.181 -2.644 23.358 1.00 0.00 +ATOM 1346 O VAL J 96 -21.541 -2.244 24.468 1.00 0.00 +ATOM 1347 N VAL J 97 -19.991 -3.244 23.317 1.00 0.00 +ATOM 1348 H VAL J 97 -19.671 -3.604 22.427 1.00 0.00 +ATOM 1349 CA VAL J 97 -19.081 -3.434 24.427 1.00 0.00 +ATOM 1350 HA VAL J 97 -19.521 -4.184 25.087 1.00 0.00 +ATOM 1351 CB VAL J 97 -17.721 -3.964 23.977 1.00 0.00 +ATOM 1352 HB VAL J 97 -17.051 -4.164 24.808 1.00 0.00 +ATOM 1353 CG1 VAL J 97 -17.901 -5.274 23.218 1.00 0.00 +ATOM 1354 1HG1 VAL J 97 -18.581 -5.134 22.387 1.00 0.00 +ATOM 1355 2HG1 VAL J 97 -16.991 -5.694 22.777 1.00 0.00 +ATOM 1356 3HG1 VAL J 97 -18.311 -5.974 23.948 1.00 0.00 +ATOM 1357 CG2 VAL J 97 -17.011 -3.014 23.017 1.00 0.00 +ATOM 1358 1HG2 VAL J 97 -16.481 -2.224 23.547 1.00 0.00 +ATOM 1359 2HG2 VAL J 97 -16.201 -3.584 22.558 1.00 0.00 +ATOM 1360 3HG2 VAL J 97 -17.741 -2.604 22.317 1.00 0.00 +ATOM 1361 C VAL J 97 -18.811 -2.274 25.387 1.00 0.00 +ATOM 1362 O VAL J 97 -18.391 -2.544 26.508 1.00 0.00 +ATOM 1363 N VAL J 98 -19.051 -1.024 24.977 1.00 0.00 +ATOM 1364 H VAL J 98 -19.251 -0.984 23.997 1.00 0.00 +ATOM 1365 CA VAL J 98 -19.061 0.216 25.738 1.00 0.00 +ATOM 1366 HA VAL J 98 -18.071 0.236 26.187 1.00 0.00 +ATOM 1367 CB VAL J 98 -19.331 1.386 24.797 1.00 0.00 +ATOM 1368 HB VAL J 98 -19.551 2.246 25.418 1.00 0.00 +ATOM 1369 CG1 VAL J 98 -18.081 1.766 24.008 1.00 0.00 +ATOM 1370 1HG1 VAL J 98 -18.041 1.286 23.038 1.00 0.00 +ATOM 1371 2HG1 VAL J 98 -18.141 2.846 23.968 1.00 0.00 +ATOM 1372 3HG1 VAL J 98 -17.091 1.586 24.448 1.00 0.00 +ATOM 1373 CG2 VAL J 98 -20.531 1.156 23.878 1.00 0.00 +ATOM 1374 1HG2 VAL J 98 -21.441 0.796 24.337 1.00 0.00 +ATOM 1375 2HG2 VAL J 98 -20.861 2.066 23.378 1.00 0.00 +ATOM 1376 3HG2 VAL J 98 -20.221 0.546 23.027 1.00 0.00 +ATOM 1377 C VAL J 98 -20.071 0.196 26.878 1.00 0.00 +ATOM 1378 O VAL J 98 -19.911 0.976 27.808 1.00 0.00 +ATOM 1379 N VAL J 99 -21.111 -0.624 26.747 1.00 0.00 +ATOM 1380 H VAL J 99 -21.281 -1.114 25.878 1.00 0.00 +ATOM 1381 CA VAL J 99 -22.221 -0.634 27.677 1.00 0.00 +ATOM 1382 HA VAL J 99 -21.881 -0.124 28.587 1.00 0.00 +ATOM 1383 CB VAL J 99 -23.441 0.146 27.187 1.00 0.00 +ATOM 1384 HB VAL J 99 -24.261 0.076 27.907 1.00 0.00 +ATOM 1385 CG1 VAL J 99 -23.111 1.636 27.277 1.00 0.00 +ATOM 1386 1HG1 VAL J 99 -22.921 1.846 28.328 1.00 0.00 +ATOM 1387 2HG1 VAL J 99 -22.241 1.796 26.648 1.00 0.00 +ATOM 1388 3HG1 VAL J 99 -23.971 2.216 26.948 1.00 0.00 +ATOM 1389 CG2 VAL J 99 -23.951 -0.224 25.797 1.00 0.00 +ATOM 1390 1HG2 VAL J 99 -24.731 0.456 25.488 1.00 0.00 +ATOM 1391 2HG2 VAL J 99 -23.161 -0.124 25.047 1.00 0.00 +ATOM 1392 3HG2 VAL J 99 -24.451 -1.194 25.777 1.00 0.00 +ATOM 1393 C VAL J 99 -22.531 -2.074 28.087 1.00 0.00 +ATOM 1394 O VAL J 99 -22.991 -2.244 29.207 1.00 0.00 +ATOM 1395 N NME J 100 -22.281 -3.044 27.207 1.00 0.00 +ATOM 1396 H NME J 100 -21.991 -2.854 26.267 1.00 0.00 +ATOM 1397 CH3 NME J 100 -22.441 -4.464 27.488 1.00 0.00 +ATOM 1398 1HH3 NME J 100 -23.501 -4.744 27.457 1.00 0.00 +ATOM 1399 2HH3 NME J 100 -22.131 -4.934 26.558 1.00 0.00 +ATOM 1400 3HH3 NME J 100 -21.931 -4.834 28.378 1.00 0.00 +ATOM 1401 1HH3 ACE K 101 -6.307 -5.664 -2.892 1.00 0.00 +ATOM 1402 CH3 ACE K 101 -5.707 -5.914 -3.773 1.00 0.00 +ATOM 1403 2HH3 ACE K 101 -4.687 -5.664 -3.493 1.00 0.00 +ATOM 1404 3HH3 ACE K 101 -5.867 -5.254 -4.623 1.00 0.00 +ATOM 1405 C ACE K 101 -5.897 -7.404 -4.042 1.00 0.00 +ATOM 1406 O ACE K 101 -4.957 -8.134 -3.763 1.00 0.00 +ATOM 1407 N VAL K 102 -7.127 -7.774 -4.413 1.00 0.00 +ATOM 1408 H VAL K 102 -7.757 -6.994 -4.463 1.00 0.00 +ATOM 1409 CA VAL K 102 -7.607 -9.144 -4.323 1.00 0.00 +ATOM 1410 HA VAL K 102 -6.887 -9.864 -3.913 1.00 0.00 +ATOM 1411 CB VAL K 102 -8.687 -9.224 -3.243 1.00 0.00 +ATOM 1412 HB VAL K 102 -8.257 -8.914 -2.292 1.00 0.00 +ATOM 1413 CG1 VAL K 102 -9.897 -8.304 -3.413 1.00 0.00 +ATOM 1414 1HG1 VAL K 102 -10.537 -8.264 -2.532 1.00 0.00 +ATOM 1415 2HG1 VAL K 102 -9.627 -7.244 -3.493 1.00 0.00 +ATOM 1416 3HG1 VAL K 102 -10.397 -8.494 -4.352 1.00 0.00 +ATOM 1417 CG2 VAL K 102 -9.457 -10.534 -3.183 1.00 0.00 +ATOM 1418 1HG2 VAL K 102 -8.637 -11.244 -3.113 1.00 0.00 +ATOM 1419 2HG2 VAL K 102 -9.957 -10.704 -2.233 1.00 0.00 +ATOM 1420 3HG2 VAL K 102 -10.177 -10.624 -4.003 1.00 0.00 +ATOM 1421 C VAL K 102 -8.267 -9.534 -5.633 1.00 0.00 +ATOM 1422 O VAL K 102 -8.317 -10.734 -5.913 1.00 0.00 +ATOM 1423 N VAL K 103 -8.857 -8.604 -6.373 1.00 0.00 +ATOM 1424 H VAL K 103 -8.937 -7.694 -5.932 1.00 0.00 +ATOM 1425 CA VAL K 103 -9.057 -8.854 -7.783 1.00 0.00 +ATOM 1426 HA VAL K 103 -8.487 -9.734 -8.083 1.00 0.00 +ATOM 1427 CB VAL K 103 -10.537 -9.104 -8.003 1.00 0.00 +ATOM 1428 HB VAL K 103 -10.917 -9.874 -7.333 1.00 0.00 +ATOM 1429 CG1 VAL K 103 -11.387 -7.834 -7.883 1.00 0.00 +ATOM 1430 1HG1 VAL K 103 -11.267 -7.414 -6.883 1.00 0.00 +ATOM 1431 2HG1 VAL K 103 -11.277 -7.064 -8.642 1.00 0.00 +ATOM 1432 3HG1 VAL K 103 -12.427 -8.114 -7.762 1.00 0.00 +ATOM 1433 CG2 VAL K 103 -11.037 -9.584 -9.363 1.00 0.00 +ATOM 1434 1HG2 VAL K 103 -10.807 -9.064 -10.293 1.00 0.00 +ATOM 1435 2HG2 VAL K 103 -10.547 -10.544 -9.472 1.00 0.00 +ATOM 1436 3HG2 VAL K 103 -12.117 -9.594 -9.253 1.00 0.00 +ATOM 1437 C VAL K 103 -8.517 -7.814 -8.762 1.00 0.00 +ATOM 1438 O VAL K 103 -8.597 -7.924 -9.983 1.00 0.00 +ATOM 1439 N VAL K 104 -7.947 -6.724 -8.233 1.00 0.00 +ATOM 1440 H VAL K 104 -8.217 -6.494 -7.293 1.00 0.00 +ATOM 1441 CA VAL K 104 -7.047 -5.804 -8.892 1.00 0.00 +ATOM 1442 HA VAL K 104 -6.947 -6.044 -9.953 1.00 0.00 +ATOM 1443 CB VAL K 104 -7.627 -4.394 -8.972 1.00 0.00 +ATOM 1444 HB VAL K 104 -7.967 -4.124 -7.972 1.00 0.00 +ATOM 1445 CG1 VAL K 104 -6.647 -3.354 -9.512 1.00 0.00 +ATOM 1446 1HG1 VAL K 104 -5.967 -3.094 -8.703 1.00 0.00 +ATOM 1447 2HG1 VAL K 104 -6.047 -3.804 -10.293 1.00 0.00 +ATOM 1448 3HG1 VAL K 104 -7.257 -2.474 -9.753 1.00 0.00 +ATOM 1449 CG2 VAL K 104 -8.787 -4.324 -9.972 1.00 0.00 +ATOM 1450 1HG2 VAL K 104 -9.347 -3.414 -9.793 1.00 0.00 +ATOM 1451 2HG2 VAL K 104 -8.437 -4.194 -10.993 1.00 0.00 +ATOM 1452 3HG2 VAL K 104 -9.407 -5.214 -9.913 1.00 0.00 +ATOM 1453 C VAL K 104 -5.707 -5.844 -8.182 1.00 0.00 +ATOM 1454 O VAL K 104 -5.637 -5.364 -7.052 1.00 0.00 +ATOM 1455 N VAL K 105 -4.747 -6.634 -8.673 1.00 0.00 +ATOM 1456 H VAL K 105 -4.967 -7.114 -9.523 1.00 0.00 +ATOM 1457 CA VAL K 105 -3.447 -6.844 -8.052 1.00 0.00 +ATOM 1458 HA VAL K 105 -3.647 -7.204 -7.043 1.00 0.00 +ATOM 1459 CB VAL K 105 -2.617 -7.944 -8.693 1.00 0.00 +ATOM 1460 HB VAL K 105 -1.597 -7.904 -8.312 1.00 0.00 +ATOM 1461 CG1 VAL K 105 -3.177 -9.254 -8.133 1.00 0.00 +ATOM 1462 1HG1 VAL K 105 -2.817 -9.334 -7.113 1.00 0.00 +ATOM 1463 2HG1 VAL K 105 -4.257 -9.214 -8.273 1.00 0.00 +ATOM 1464 3HG1 VAL K 105 -2.807 -10.094 -8.722 1.00 0.00 +ATOM 1465 CG2 VAL K 105 -2.627 -7.944 -10.222 1.00 0.00 +ATOM 1466 1HG2 VAL K 105 -3.527 -8.334 -10.693 1.00 0.00 +ATOM 1467 2HG2 VAL K 105 -2.377 -6.994 -10.682 1.00 0.00 +ATOM 1468 3HG2 VAL K 105 -1.837 -8.644 -10.503 1.00 0.00 +ATOM 1469 C VAL K 105 -2.797 -5.464 -8.093 1.00 0.00 +ATOM 1470 O VAL K 105 -3.077 -4.574 -8.892 1.00 0.00 +ATOM 1471 N VAL K 106 -1.967 -5.224 -7.073 1.00 0.00 +ATOM 1472 H VAL K 106 -1.847 -5.854 -6.293 1.00 0.00 +ATOM 1473 CA VAL K 106 -1.527 -3.864 -6.843 1.00 0.00 +ATOM 1474 HA VAL K 106 -2.437 -3.334 -7.102 1.00 0.00 +ATOM 1475 CB VAL K 106 -1.327 -3.484 -5.373 1.00 0.00 +ATOM 1476 HB VAL K 106 -1.087 -2.424 -5.423 1.00 0.00 +ATOM 1477 CG1 VAL K 106 -2.597 -3.564 -4.543 1.00 0.00 +ATOM 1478 1HG1 VAL K 106 -3.317 -4.294 -4.903 1.00 0.00 +ATOM 1479 2HG1 VAL K 106 -2.447 -3.644 -3.462 1.00 0.00 +ATOM 1480 3HG1 VAL K 106 -2.957 -2.564 -4.802 1.00 0.00 +ATOM 1481 CG2 VAL K 106 -0.107 -4.164 -4.743 1.00 0.00 +ATOM 1482 1HG2 VAL K 106 0.793 -3.944 -5.312 1.00 0.00 +ATOM 1483 2HG2 VAL K 106 0.113 -3.814 -3.743 1.00 0.00 +ATOM 1484 3HG2 VAL K 106 -0.247 -5.244 -4.753 1.00 0.00 +ATOM 1485 C VAL K 106 -0.457 -3.454 -7.852 1.00 0.00 +ATOM 1486 O VAL K 106 -0.217 -2.254 -7.963 1.00 0.00 +ATOM 1487 N VAL K 107 0.173 -4.384 -8.573 1.00 0.00 +ATOM 1488 H VAL K 107 -0.007 -5.344 -8.333 1.00 0.00 +ATOM 1489 CA VAL K 107 1.263 -4.104 -9.483 1.00 0.00 +ATOM 1490 HA VAL K 107 1.833 -3.334 -8.963 1.00 0.00 +ATOM 1491 CB VAL K 107 2.133 -5.344 -9.642 1.00 0.00 +ATOM 1492 HB VAL K 107 3.083 -5.044 -10.093 1.00 0.00 +ATOM 1493 CG1 VAL K 107 2.643 -6.114 -8.432 1.00 0.00 +ATOM 1494 1HG1 VAL K 107 3.353 -6.824 -8.863 1.00 0.00 +ATOM 1495 2HG1 VAL K 107 3.173 -5.534 -7.682 1.00 0.00 +ATOM 1496 3HG1 VAL K 107 1.753 -6.594 -8.012 1.00 0.00 +ATOM 1497 CG2 VAL K 107 1.393 -6.404 -10.453 1.00 0.00 +ATOM 1498 1HG2 VAL K 107 1.943 -7.324 -10.642 1.00 0.00 +ATOM 1499 2HG2 VAL K 107 0.463 -6.674 -9.953 1.00 0.00 +ATOM 1500 3HG2 VAL K 107 1.213 -6.024 -11.463 1.00 0.00 +ATOM 1501 C VAL K 107 0.833 -3.544 -10.833 1.00 0.00 +ATOM 1502 O VAL K 107 1.683 -3.284 -11.682 1.00 0.00 +ATOM 1503 N VAL K 108 -0.477 -3.374 -11.023 1.00 0.00 +ATOM 1504 H VAL K 108 -1.107 -3.784 -10.343 1.00 0.00 +ATOM 1505 CA VAL K 108 -1.057 -2.644 -12.133 1.00 0.00 +ATOM 1506 HA VAL K 108 -0.307 -2.634 -12.923 1.00 0.00 +ATOM 1507 CB VAL K 108 -2.257 -3.354 -12.763 1.00 0.00 +ATOM 1508 HB VAL K 108 -2.447 -2.834 -13.693 1.00 0.00 +ATOM 1509 CG1 VAL K 108 -1.707 -4.734 -13.133 1.00 0.00 +ATOM 1510 1HG1 VAL K 108 -0.787 -4.534 -13.683 1.00 0.00 +ATOM 1511 2HG1 VAL K 108 -1.457 -5.334 -12.253 1.00 0.00 +ATOM 1512 3HG1 VAL K 108 -2.437 -5.224 -13.773 1.00 0.00 +ATOM 1513 CG2 VAL K 108 -3.547 -3.484 -11.963 1.00 0.00 +ATOM 1514 1HG2 VAL K 108 -3.357 -3.814 -10.943 1.00 0.00 +ATOM 1515 2HG2 VAL K 108 -4.057 -2.524 -11.913 1.00 0.00 +ATOM 1516 3HG2 VAL K 108 -4.197 -4.244 -12.393 1.00 0.00 +ATOM 1517 C VAL K 108 -1.487 -1.224 -11.793 1.00 0.00 +ATOM 1518 O VAL K 108 -1.627 -0.384 -12.683 1.00 0.00 +ATOM 1519 N VAL K 109 -1.637 -0.854 -10.523 1.00 0.00 +ATOM 1520 H VAL K 109 -1.487 -1.634 -9.883 1.00 0.00 +ATOM 1521 CA VAL K 109 -2.027 0.436 -9.993 1.00 0.00 +ATOM 1522 HA VAL K 109 -2.167 1.106 -10.843 1.00 0.00 +ATOM 1523 CB VAL K 109 -3.287 0.336 -9.133 1.00 0.00 +ATOM 1524 HB VAL K 109 -3.497 1.306 -8.682 1.00 0.00 +ATOM 1525 CG1 VAL K 109 -4.547 0.056 -9.932 1.00 0.00 +ATOM 1526 1HG1 VAL K 109 -4.637 0.856 -10.663 1.00 0.00 +ATOM 1527 2HG1 VAL K 109 -4.477 -0.984 -10.283 1.00 0.00 +ATOM 1528 3HG1 VAL K 109 -5.437 0.136 -9.302 1.00 0.00 +ATOM 1529 CG2 VAL K 109 -3.097 -0.634 -7.963 1.00 0.00 +ATOM 1530 1HG2 VAL K 109 -4.027 -0.704 -7.413 1.00 0.00 +ATOM 1531 2HG2 VAL K 109 -2.897 -1.604 -8.413 1.00 0.00 +ATOM 1532 3HG2 VAL K 109 -2.277 -0.334 -7.312 1.00 0.00 +ATOM 1533 C VAL K 109 -0.877 1.146 -9.302 1.00 0.00 +ATOM 1534 O VAL K 109 -0.757 2.346 -9.052 1.00 0.00 +ATOM 1535 N NME K 110 0.203 0.386 -9.073 1.00 0.00 +ATOM 1536 H NME K 110 -0.047 -0.594 -9.043 1.00 0.00 +ATOM 1537 CH3 NME K 110 1.483 0.816 -8.552 1.00 0.00 +ATOM 1538 1HH3 NME K 110 1.543 1.886 -8.333 1.00 0.00 +ATOM 1539 2HH3 NME K 110 1.593 0.306 -7.602 1.00 0.00 +ATOM 1540 3HH3 NME K 110 2.273 0.516 -9.243 1.00 0.00 +ATOM 1541 1HH3 ACE L 111 -7.541 -2.284 4.458 1.00 0.00 +ATOM 1542 CH3 ACE L 111 -8.501 -2.404 3.958 1.00 0.00 +ATOM 1543 2HH3 ACE L 111 -8.701 -1.384 3.628 1.00 0.00 +ATOM 1544 3HH3 ACE L 111 -9.221 -2.844 4.647 1.00 0.00 +ATOM 1545 C ACE L 111 -8.191 -3.264 2.737 1.00 0.00 +ATOM 1546 O ACE L 111 -7.481 -4.244 2.977 1.00 0.00 +ATOM 1547 N VAL L 112 -8.761 -2.994 1.567 1.00 0.00 +ATOM 1548 H VAL L 112 -9.331 -2.164 1.477 1.00 0.00 +ATOM 1549 CA VAL L 112 -8.391 -3.594 0.307 1.00 0.00 +ATOM 1550 HA VAL L 112 -8.481 -4.644 0.597 1.00 0.00 +ATOM 1551 CB VAL L 112 -9.331 -3.294 -0.853 1.00 0.00 +ATOM 1552 HB VAL L 112 -9.041 -4.024 -1.613 1.00 0.00 +ATOM 1553 CG1 VAL L 112 -10.791 -3.594 -0.503 1.00 0.00 +ATOM 1554 1HG1 VAL L 112 -11.371 -3.494 -1.413 1.00 0.00 +ATOM 1555 2HG1 VAL L 112 -10.771 -4.584 -0.032 1.00 0.00 +ATOM 1556 3HG1 VAL L 112 -11.181 -2.864 0.208 1.00 0.00 +ATOM 1557 CG2 VAL L 112 -9.231 -1.864 -1.372 1.00 0.00 +ATOM 1558 1HG2 VAL L 112 -9.901 -1.814 -2.222 1.00 0.00 +ATOM 1559 2HG2 VAL L 112 -9.701 -1.164 -0.683 1.00 0.00 +ATOM 1560 3HG2 VAL L 112 -8.231 -1.574 -1.702 1.00 0.00 +ATOM 1561 C VAL L 112 -6.901 -3.394 0.038 1.00 0.00 +ATOM 1562 O VAL L 112 -6.431 -4.344 -0.593 1.00 0.00 +ATOM 1563 N VAL L 113 -6.251 -2.294 0.417 1.00 0.00 +ATOM 1564 H VAL L 113 -6.861 -1.654 0.907 1.00 0.00 +ATOM 1565 CA VAL L 113 -4.821 -2.074 0.407 1.00 0.00 +ATOM 1566 HA VAL L 113 -4.241 -2.994 0.397 1.00 0.00 +ATOM 1567 CB VAL L 113 -4.401 -1.054 -0.642 1.00 0.00 +ATOM 1568 HB VAL L 113 -3.371 -0.734 -0.503 1.00 0.00 +ATOM 1569 CG1 VAL L 113 -4.511 -1.684 -2.023 1.00 0.00 +ATOM 1570 1HG1 VAL L 113 -3.901 -2.584 -1.933 1.00 0.00 +ATOM 1571 2HG1 VAL L 113 -5.541 -1.894 -2.292 1.00 0.00 +ATOM 1572 3HG1 VAL L 113 -3.951 -1.014 -2.683 1.00 0.00 +ATOM 1573 CG2 VAL L 113 -5.201 0.246 -0.792 1.00 0.00 +ATOM 1574 1HG2 VAL L 113 -6.241 -0.024 -0.943 1.00 0.00 +ATOM 1575 2HG2 VAL L 113 -5.111 0.796 0.147 1.00 0.00 +ATOM 1576 3HG2 VAL L 113 -4.751 0.886 -1.552 1.00 0.00 +ATOM 1577 C VAL L 113 -4.371 -1.484 1.737 1.00 0.00 +ATOM 1578 O VAL L 113 -5.191 -0.984 2.517 1.00 0.00 +ATOM 1579 N VAL L 114 -3.091 -1.444 2.108 1.00 0.00 +ATOM 1580 H VAL L 114 -2.531 -2.094 1.567 1.00 0.00 +ATOM 1581 CA VAL L 114 -2.531 -0.984 3.358 1.00 0.00 +ATOM 1582 HA VAL L 114 -3.201 -0.154 3.567 1.00 0.00 +ATOM 1583 CB VAL L 114 -2.691 -2.044 4.448 1.00 0.00 +ATOM 1584 HB VAL L 114 -3.761 -2.244 4.448 1.00 0.00 +ATOM 1585 CG1 VAL L 114 -2.001 -3.394 4.218 1.00 0.00 +ATOM 1586 1HG1 VAL L 114 -2.171 -3.774 3.218 1.00 0.00 +ATOM 1587 2HG1 VAL L 114 -0.971 -3.464 4.567 1.00 0.00 +ATOM 1588 3HG1 VAL L 114 -2.631 -4.084 4.778 1.00 0.00 +ATOM 1589 CG2 VAL L 114 -2.191 -1.614 5.827 1.00 0.00 +ATOM 1590 1HG2 VAL L 114 -2.271 -2.404 6.577 1.00 0.00 +ATOM 1591 2HG2 VAL L 114 -1.141 -1.324 5.767 1.00 0.00 +ATOM 1592 3HG2 VAL L 114 -2.791 -0.774 6.188 1.00 0.00 +ATOM 1593 C VAL L 114 -1.091 -0.474 3.358 1.00 0.00 +ATOM 1594 O VAL L 114 -0.871 0.546 3.987 1.00 0.00 +ATOM 1595 N VAL L 115 -0.161 -1.114 2.647 1.00 0.00 +ATOM 1596 H VAL L 115 -0.341 -1.964 2.128 1.00 0.00 +ATOM 1597 CA VAL L 115 1.219 -0.684 2.468 1.00 0.00 +ATOM 1598 HA VAL L 115 1.329 0.226 3.057 1.00 0.00 +ATOM 1599 CB VAL L 115 2.219 -1.794 2.747 1.00 0.00 +ATOM 1600 HB VAL L 115 3.179 -1.284 2.718 1.00 0.00 +ATOM 1601 CG1 VAL L 115 1.979 -2.454 4.108 1.00 0.00 +ATOM 1602 1HG1 VAL L 115 2.769 -3.124 4.458 1.00 0.00 +ATOM 1603 2HG1 VAL L 115 1.719 -1.724 4.868 1.00 0.00 +ATOM 1604 3HG1 VAL L 115 1.049 -3.014 4.188 1.00 0.00 +ATOM 1605 CG2 VAL L 115 2.339 -3.034 1.858 1.00 0.00 +ATOM 1606 1HG2 VAL L 115 1.429 -3.634 1.807 1.00 0.00 +ATOM 1607 2HG2 VAL L 115 2.529 -2.694 0.837 1.00 0.00 +ATOM 1608 3HG2 VAL L 115 3.189 -3.614 2.218 1.00 0.00 +ATOM 1609 C VAL L 115 1.639 -0.084 1.137 1.00 0.00 +ATOM 1610 O VAL L 115 2.759 0.406 1.057 1.00 0.00 +ATOM 1611 N VAL L 116 0.729 -0.104 0.157 1.00 0.00 +ATOM 1612 H VAL L 116 -0.221 -0.314 0.448 1.00 0.00 +ATOM 1613 CA VAL L 116 0.889 0.306 -1.222 1.00 0.00 +ATOM 1614 HA VAL L 116 1.509 -0.434 -1.722 1.00 0.00 +ATOM 1615 CB VAL L 116 -0.471 0.236 -1.913 1.00 0.00 +ATOM 1616 HB VAL L 116 -1.021 -0.674 -1.673 1.00 0.00 +ATOM 1617 CG1 VAL L 116 -1.471 1.336 -1.573 1.00 0.00 +ATOM 1618 1HG1 VAL L 116 -1.051 2.296 -1.863 1.00 0.00 +ATOM 1619 2HG1 VAL L 116 -2.421 1.206 -2.103 1.00 0.00 +ATOM 1620 3HG1 VAL L 116 -1.681 1.276 -0.513 1.00 0.00 +ATOM 1621 CG2 VAL L 116 -0.401 0.296 -3.433 1.00 0.00 +ATOM 1622 1HG2 VAL L 116 -1.341 0.056 -3.913 1.00 0.00 +ATOM 1623 2HG2 VAL L 116 -0.011 1.226 -3.863 1.00 0.00 +ATOM 1624 3HG2 VAL L 116 0.299 -0.454 -3.812 1.00 0.00 +ATOM 1625 C VAL L 116 1.609 1.606 -1.542 1.00 0.00 +ATOM 1626 O VAL L 116 2.209 1.756 -2.613 1.00 0.00 +ATOM 1627 N VAL L 117 1.689 2.446 -0.513 1.00 0.00 +ATOM 1628 H VAL L 117 1.499 2.096 0.417 1.00 0.00 +ATOM 1629 CA VAL L 117 2.439 3.686 -0.493 1.00 0.00 +ATOM 1630 HA VAL L 117 2.159 4.286 -1.353 1.00 0.00 +ATOM 1631 CB VAL L 117 2.129 4.516 0.757 1.00 0.00 +ATOM 1632 HB VAL L 117 2.749 5.406 0.667 1.00 0.00 +ATOM 1633 CG1 VAL L 117 0.649 4.846 0.847 1.00 0.00 +ATOM 1634 1HG1 VAL L 117 0.449 5.256 1.837 1.00 0.00 +ATOM 1635 2HG1 VAL L 117 0.419 5.476 -0.013 1.00 0.00 +ATOM 1636 3HG1 VAL L 117 -0.011 3.986 0.667 1.00 0.00 +ATOM 1637 CG2 VAL L 117 2.579 3.726 1.987 1.00 0.00 +ATOM 1638 1HG2 VAL L 117 3.599 3.436 1.747 1.00 0.00 +ATOM 1639 2HG2 VAL L 117 2.509 4.506 2.747 1.00 0.00 +ATOM 1640 3HG2 VAL L 117 1.839 2.956 2.188 1.00 0.00 +ATOM 1641 C VAL L 117 3.929 3.506 -0.702 1.00 0.00 +ATOM 1642 O VAL L 117 4.579 4.416 -1.222 1.00 0.00 +ATOM 1643 N VAL L 118 4.429 2.306 -0.403 1.00 0.00 +ATOM 1644 H VAL L 118 3.779 1.596 -0.103 1.00 0.00 +ATOM 1645 CA VAL L 118 5.839 1.986 -0.523 1.00 0.00 +ATOM 1646 HA VAL L 118 6.449 2.816 -0.153 1.00 0.00 +ATOM 1647 CB VAL L 118 6.249 0.736 0.247 1.00 0.00 +ATOM 1648 HB VAL L 118 7.319 0.736 0.067 1.00 0.00 +ATOM 1649 CG1 VAL L 118 5.949 0.886 1.737 1.00 0.00 +ATOM 1650 1HG1 VAL L 118 6.479 1.736 2.167 1.00 0.00 +ATOM 1651 2HG1 VAL L 118 4.919 1.206 1.927 1.00 0.00 +ATOM 1652 3HG1 VAL L 118 6.399 0.126 2.378 1.00 0.00 +ATOM 1653 CG2 VAL L 118 5.699 -0.594 -0.263 1.00 0.00 +ATOM 1654 1HG2 VAL L 118 4.619 -0.734 -0.173 1.00 0.00 +ATOM 1655 2HG2 VAL L 118 5.899 -0.594 -1.333 1.00 0.00 +ATOM 1656 3HG2 VAL L 118 6.169 -1.394 0.307 1.00 0.00 +ATOM 1657 C VAL L 118 6.169 1.836 -1.993 1.00 0.00 +ATOM 1658 O VAL L 118 7.329 1.986 -2.372 1.00 0.00 +ATOM 1659 N VAL L 119 5.209 1.576 -2.882 1.00 0.00 +ATOM 1660 H VAL L 119 4.279 1.446 -2.493 1.00 0.00 +ATOM 1661 CA VAL L 119 5.359 1.356 -4.302 1.00 0.00 +ATOM 1662 HA VAL L 119 6.429 1.376 -4.523 1.00 0.00 +ATOM 1663 CB VAL L 119 4.959 -0.044 -4.753 1.00 0.00 +ATOM 1664 HB VAL L 119 5.579 -0.774 -4.233 1.00 0.00 +ATOM 1665 CG1 VAL L 119 3.609 -0.474 -4.203 1.00 0.00 +ATOM 1666 1HG1 VAL L 119 3.399 -1.514 -4.463 1.00 0.00 +ATOM 1667 2HG1 VAL L 119 3.669 -0.424 -3.113 1.00 0.00 +ATOM 1668 3HG1 VAL L 119 2.829 0.156 -4.642 1.00 0.00 +ATOM 1669 CG2 VAL L 119 5.049 -0.324 -6.243 1.00 0.00 +ATOM 1670 1HG2 VAL L 119 4.449 0.366 -6.843 1.00 0.00 +ATOM 1671 2HG2 VAL L 119 6.029 -0.204 -6.703 1.00 0.00 +ATOM 1672 3HG2 VAL L 119 4.699 -1.324 -6.503 1.00 0.00 +ATOM 1673 C VAL L 119 4.799 2.446 -5.203 1.00 0.00 +ATOM 1674 O VAL L 119 5.369 2.866 -6.213 1.00 0.00 +ATOM 1675 N NME L 120 3.699 3.086 -4.793 1.00 0.00 +ATOM 1676 H NME L 120 3.239 2.836 -3.933 1.00 0.00 +ATOM 1677 CH3 NME L 120 3.019 3.986 -5.693 1.00 0.00 +ATOM 1678 1HH3 NME L 120 3.579 4.906 -5.812 1.00 0.00 +ATOM 1679 2HH3 NME L 120 2.819 3.476 -6.633 1.00 0.00 +ATOM 1680 3HH3 NME L 120 2.149 4.416 -5.193 1.00 0.00 +ATOM 1681 1HH3 ACE M 121 0.203 -12.134 -16.813 1.00 0.00 +ATOM 1682 CH3 ACE M 121 -0.197 -13.054 -16.393 1.00 0.00 +ATOM 1683 2HH3 ACE M 121 0.513 -13.834 -16.673 1.00 0.00 +ATOM 1684 3HH3 ACE M 121 -1.187 -13.264 -16.793 1.00 0.00 +ATOM 1685 C ACE M 121 -0.217 -12.904 -14.873 1.00 0.00 +ATOM 1686 O ACE M 121 0.723 -13.354 -14.223 1.00 0.00 +ATOM 1687 N VAL M 122 -1.257 -12.294 -14.303 1.00 0.00 +ATOM 1688 H VAL M 122 -1.837 -11.804 -14.963 1.00 0.00 +ATOM 1689 CA VAL M 122 -1.567 -12.154 -12.893 1.00 0.00 +ATOM 1690 HA VAL M 122 -0.967 -11.284 -12.643 1.00 0.00 +ATOM 1691 CB VAL M 122 -3.007 -11.704 -12.653 1.00 0.00 +ATOM 1692 HB VAL M 122 -3.057 -11.474 -11.593 1.00 0.00 +ATOM 1693 CG1 VAL M 122 -3.067 -10.354 -13.363 1.00 0.00 +ATOM 1694 1HG1 VAL M 122 -2.367 -9.634 -12.943 1.00 0.00 +ATOM 1695 2HG1 VAL M 122 -2.867 -10.574 -14.413 1.00 0.00 +ATOM 1696 3HG1 VAL M 122 -4.067 -9.924 -13.423 1.00 0.00 +ATOM 1697 CG2 VAL M 122 -4.127 -12.604 -13.163 1.00 0.00 +ATOM 1698 1HG2 VAL M 122 -4.027 -12.944 -14.203 1.00 0.00 +ATOM 1699 2HG2 VAL M 122 -4.307 -13.454 -12.513 1.00 0.00 +ATOM 1700 3HG2 VAL M 122 -5.027 -11.984 -13.193 1.00 0.00 +ATOM 1701 C VAL M 122 -1.207 -13.264 -11.923 1.00 0.00 +ATOM 1702 O VAL M 122 -1.057 -13.054 -10.722 1.00 0.00 +ATOM 1703 N VAL M 123 -0.957 -14.484 -12.403 1.00 0.00 +ATOM 1704 H VAL M 123 -1.227 -14.644 -13.363 1.00 0.00 +ATOM 1705 CA VAL M 123 -0.777 -15.694 -11.623 1.00 0.00 +ATOM 1706 HA VAL M 123 -1.227 -15.634 -10.633 1.00 0.00 +ATOM 1707 CB VAL M 123 -1.497 -16.794 -12.393 1.00 0.00 +ATOM 1708 HB VAL M 123 -1.317 -17.584 -11.663 1.00 0.00 +ATOM 1709 CG1 VAL M 123 -3.007 -16.614 -12.463 1.00 0.00 +ATOM 1710 1HG1 VAL M 123 -3.427 -17.454 -13.023 1.00 0.00 +ATOM 1711 2HG1 VAL M 123 -3.437 -16.644 -11.463 1.00 0.00 +ATOM 1712 3HG1 VAL M 123 -3.307 -15.704 -12.973 1.00 0.00 +ATOM 1713 CG2 VAL M 123 -0.947 -17.194 -13.763 1.00 0.00 +ATOM 1714 1HG2 VAL M 123 -1.037 -16.344 -14.443 1.00 0.00 +ATOM 1715 2HG2 VAL M 123 0.093 -17.514 -13.763 1.00 0.00 +ATOM 1716 3HG2 VAL M 123 -1.377 -18.114 -14.163 1.00 0.00 +ATOM 1717 C VAL M 123 0.713 -15.984 -11.453 1.00 0.00 +ATOM 1718 O VAL M 123 1.123 -16.714 -10.552 1.00 0.00 +ATOM 1719 N VAL M 124 1.613 -15.374 -12.223 1.00 0.00 +ATOM 1720 H VAL M 124 1.163 -14.844 -12.953 1.00 0.00 +ATOM 1721 CA VAL M 124 3.063 -15.314 -12.143 1.00 0.00 +ATOM 1722 HA VAL M 124 3.363 -16.224 -11.613 1.00 0.00 +ATOM 1723 CB VAL M 124 3.683 -15.284 -13.543 1.00 0.00 +ATOM 1724 HB VAL M 124 3.713 -14.274 -13.943 1.00 0.00 +ATOM 1725 CG1 VAL M 124 5.163 -15.654 -13.523 1.00 0.00 +ATOM 1726 1HG1 VAL M 124 5.643 -15.134 -12.693 1.00 0.00 +ATOM 1727 2HG1 VAL M 124 5.213 -16.724 -13.312 1.00 0.00 +ATOM 1728 3HG1 VAL M 124 5.403 -15.304 -14.523 1.00 0.00 +ATOM 1729 CG2 VAL M 124 2.953 -16.194 -14.533 1.00 0.00 +ATOM 1730 1HG2 VAL M 124 3.493 -16.204 -15.473 1.00 0.00 +ATOM 1731 2HG2 VAL M 124 2.963 -17.194 -14.103 1.00 0.00 +ATOM 1732 3HG2 VAL M 124 1.913 -15.894 -14.643 1.00 0.00 +ATOM 1733 C VAL M 124 3.393 -14.134 -11.253 1.00 0.00 +ATOM 1734 O VAL M 124 4.253 -14.264 -10.373 1.00 0.00 +ATOM 1735 N VAL M 125 2.733 -13.004 -11.453 1.00 0.00 +ATOM 1736 H VAL M 125 2.073 -13.064 -12.223 1.00 0.00 +ATOM 1737 CA VAL M 125 3.323 -11.754 -11.012 1.00 0.00 +ATOM 1738 HA VAL M 125 4.303 -11.684 -11.472 1.00 0.00 +ATOM 1739 CB VAL M 125 2.663 -10.454 -11.453 1.00 0.00 +ATOM 1740 HB VAL M 125 3.363 -9.724 -11.043 1.00 0.00 +ATOM 1741 CG1 VAL M 125 2.553 -10.294 -12.963 1.00 0.00 +ATOM 1742 1HG1 VAL M 125 1.723 -10.914 -13.293 1.00 0.00 +ATOM 1743 2HG1 VAL M 125 2.443 -9.274 -13.343 1.00 0.00 +ATOM 1744 3HG1 VAL M 125 3.433 -10.774 -13.393 1.00 0.00 +ATOM 1745 CG2 VAL M 125 1.393 -10.074 -10.693 1.00 0.00 +ATOM 1746 1HG2 VAL M 125 0.773 -10.964 -10.623 1.00 0.00 +ATOM 1747 2HG2 VAL M 125 1.573 -9.814 -9.653 1.00 0.00 +ATOM 1748 3HG2 VAL M 125 0.873 -9.234 -11.153 1.00 0.00 +ATOM 1749 C VAL M 125 3.503 -11.684 -9.503 1.00 0.00 +ATOM 1750 O VAL M 125 4.423 -11.064 -8.983 1.00 0.00 +ATOM 1751 N VAL M 126 2.653 -12.334 -8.703 1.00 0.00 +ATOM 1752 H VAL M 126 1.943 -12.834 -9.222 1.00 0.00 +ATOM 1753 CA VAL M 126 2.663 -12.414 -7.262 1.00 0.00 +ATOM 1754 HA VAL M 126 2.793 -11.434 -6.783 1.00 0.00 +ATOM 1755 CB VAL M 126 1.253 -12.834 -6.843 1.00 0.00 +ATOM 1756 HB VAL M 126 1.183 -12.864 -5.762 1.00 0.00 +ATOM 1757 CG1 VAL M 126 0.103 -11.954 -7.302 1.00 0.00 +ATOM 1758 1HG1 VAL M 126 0.063 -11.964 -8.392 1.00 0.00 +ATOM 1759 2HG1 VAL M 126 -0.807 -12.444 -6.963 1.00 0.00 +ATOM 1760 3HG1 VAL M 126 0.203 -10.914 -6.972 1.00 0.00 +ATOM 1761 CG2 VAL M 126 0.983 -14.254 -7.333 1.00 0.00 +ATOM 1762 1HG2 VAL M 126 1.703 -15.014 -7.043 1.00 0.00 +ATOM 1763 2HG2 VAL M 126 0.053 -14.654 -6.932 1.00 0.00 +ATOM 1764 3HG2 VAL M 126 0.933 -14.304 -8.423 1.00 0.00 +ATOM 1765 C VAL M 126 3.713 -13.294 -6.613 1.00 0.00 +ATOM 1766 O VAL M 126 3.843 -13.174 -5.392 1.00 0.00 +ATOM 1767 N VAL M 127 4.623 -13.894 -7.392 1.00 0.00 +ATOM 1768 H VAL M 127 4.393 -13.894 -8.383 1.00 0.00 +ATOM 1769 CA VAL M 127 5.853 -14.574 -7.052 1.00 0.00 +ATOM 1770 HA VAL M 127 6.123 -14.474 -6.003 1.00 0.00 +ATOM 1771 CB VAL M 127 5.793 -16.094 -7.133 1.00 0.00 +ATOM 1772 HB VAL M 127 6.763 -16.474 -6.802 1.00 0.00 +ATOM 1773 CG1 VAL M 127 4.633 -16.594 -6.283 1.00 0.00 +ATOM 1774 1HG1 VAL M 127 4.743 -17.644 -6.052 1.00 0.00 +ATOM 1775 2HG1 VAL M 127 4.633 -16.004 -5.363 1.00 0.00 +ATOM 1776 3HG1 VAL M 127 3.733 -16.364 -6.863 1.00 0.00 +ATOM 1777 CG2 VAL M 127 5.803 -16.614 -8.573 1.00 0.00 +ATOM 1778 1HG2 VAL M 127 6.213 -17.624 -8.552 1.00 0.00 +ATOM 1779 2HG2 VAL M 127 4.823 -16.524 -9.033 1.00 0.00 +ATOM 1780 3HG2 VAL M 127 6.543 -16.064 -9.153 1.00 0.00 +ATOM 1781 C VAL M 127 7.173 -14.084 -7.633 1.00 0.00 +ATOM 1782 O VAL M 127 8.263 -14.614 -7.493 1.00 0.00 +ATOM 1783 N VAL M 128 7.163 -12.944 -8.323 1.00 0.00 +ATOM 1784 H VAL M 128 6.223 -12.584 -8.432 1.00 0.00 +ATOM 1785 CA VAL M 128 8.223 -12.124 -8.873 1.00 0.00 +ATOM 1786 HA VAL M 128 9.113 -12.384 -8.283 1.00 0.00 +ATOM 1787 CB VAL M 128 8.603 -12.344 -10.343 1.00 0.00 +ATOM 1788 HB VAL M 128 9.273 -11.534 -10.633 1.00 0.00 +ATOM 1789 CG1 VAL M 128 9.353 -13.654 -10.583 1.00 0.00 +ATOM 1790 1HG1 VAL M 128 10.103 -13.764 -9.802 1.00 0.00 +ATOM 1791 2HG1 VAL M 128 8.693 -14.514 -10.512 1.00 0.00 +ATOM 1792 3HG1 VAL M 128 9.813 -13.534 -11.562 1.00 0.00 +ATOM 1793 CG2 VAL M 128 7.303 -12.274 -11.133 1.00 0.00 +ATOM 1794 1HG2 VAL M 128 7.453 -12.154 -12.203 1.00 0.00 +ATOM 1795 2HG2 VAL M 128 6.843 -13.224 -10.883 1.00 0.00 +ATOM 1796 3HG2 VAL M 128 6.673 -11.434 -10.833 1.00 0.00 +ATOM 1797 C VAL M 128 8.073 -10.634 -8.663 1.00 0.00 +ATOM 1798 O VAL M 128 9.113 -9.984 -8.593 1.00 0.00 +ATOM 1799 N VAL M 129 6.913 -10.024 -8.403 1.00 0.00 +ATOM 1800 H VAL M 129 6.053 -10.504 -8.642 1.00 0.00 +ATOM 1801 CA VAL M 129 6.813 -8.634 -8.023 1.00 0.00 +ATOM 1802 HA VAL M 129 7.703 -8.304 -7.493 1.00 0.00 +ATOM 1803 CB VAL M 129 6.613 -7.814 -9.302 1.00 0.00 +ATOM 1804 HB VAL M 129 6.393 -6.764 -9.102 1.00 0.00 +ATOM 1805 CG1 VAL M 129 7.973 -7.714 -9.993 1.00 0.00 +ATOM 1806 1HG1 VAL M 129 7.883 -6.954 -10.762 1.00 0.00 +ATOM 1807 2HG1 VAL M 129 8.703 -7.344 -9.273 1.00 0.00 +ATOM 1808 3HG1 VAL M 129 8.213 -8.674 -10.463 1.00 0.00 +ATOM 1809 CG2 VAL M 129 5.653 -8.234 -10.413 1.00 0.00 +ATOM 1810 1HG2 VAL M 129 4.623 -8.394 -10.102 1.00 0.00 +ATOM 1811 2HG2 VAL M 129 5.663 -7.444 -11.173 1.00 0.00 +ATOM 1812 3HG2 VAL M 129 6.093 -9.164 -10.783 1.00 0.00 +ATOM 1813 C VAL M 129 5.603 -8.234 -7.182 1.00 0.00 +ATOM 1814 O VAL M 129 5.693 -7.274 -6.423 1.00 0.00 +ATOM 1815 N NME M 130 4.523 -9.014 -7.083 1.00 0.00 +ATOM 1816 H NME M 130 4.423 -9.784 -7.733 1.00 0.00 +ATOM 1817 CH3 NME M 130 3.413 -8.774 -6.193 1.00 0.00 +ATOM 1818 1HH3 NME M 130 3.413 -7.734 -5.863 1.00 0.00 +ATOM 1819 2HH3 NME M 130 2.413 -8.934 -6.602 1.00 0.00 +ATOM 1820 3HH3 NME M 130 3.583 -9.374 -5.293 1.00 0.00 +ATOM 1821 1HH3 ACE N 131 2.633 5.826 15.288 1.00 0.00 +ATOM 1822 CH3 ACE N 131 2.623 6.516 14.448 1.00 0.00 +ATOM 1823 2HH3 ACE N 131 3.563 7.056 14.337 1.00 0.00 +ATOM 1824 3HH3 ACE N 131 1.853 7.286 14.437 1.00 0.00 +ATOM 1825 C ACE N 131 2.503 5.586 13.247 1.00 0.00 +ATOM 1826 O ACE N 131 1.843 4.556 13.288 1.00 0.00 +ATOM 1827 N VAL N 132 3.163 5.936 12.137 1.00 0.00 +ATOM 1828 H VAL N 132 3.633 6.826 12.148 1.00 0.00 +ATOM 1829 CA VAL N 132 3.113 5.306 10.827 1.00 0.00 +ATOM 1830 HA VAL N 132 2.073 5.276 10.528 1.00 0.00 +ATOM 1831 CB VAL N 132 3.933 6.086 9.807 1.00 0.00 +ATOM 1832 HB VAL N 132 4.943 6.266 10.188 1.00 0.00 +ATOM 1833 CG1 VAL N 132 3.953 5.386 8.458 1.00 0.00 +ATOM 1834 1HG1 VAL N 132 4.283 6.126 7.718 1.00 0.00 +ATOM 1835 2HG1 VAL N 132 4.693 4.586 8.528 1.00 0.00 +ATOM 1836 3HG1 VAL N 132 2.963 4.986 8.278 1.00 0.00 +ATOM 1837 CG2 VAL N 132 3.163 7.376 9.577 1.00 0.00 +ATOM 1838 1HG2 VAL N 132 2.123 7.176 9.307 1.00 0.00 +ATOM 1839 2HG2 VAL N 132 3.063 7.996 10.477 1.00 0.00 +ATOM 1840 3HG2 VAL N 132 3.673 7.936 8.798 1.00 0.00 +ATOM 1841 C VAL N 132 3.423 3.816 10.868 1.00 0.00 +ATOM 1842 O VAL N 132 2.603 3.066 10.317 1.00 0.00 +ATOM 1843 N VAL N 133 4.433 3.346 11.597 1.00 0.00 +ATOM 1844 H VAL N 133 5.023 3.996 12.087 1.00 0.00 +ATOM 1845 CA VAL N 133 4.783 1.966 11.837 1.00 0.00 +ATOM 1846 HA VAL N 133 5.023 1.566 10.847 1.00 0.00 +ATOM 1847 CB VAL N 133 6.053 1.866 12.687 1.00 0.00 +ATOM 1848 HB VAL N 133 6.023 0.836 13.058 1.00 0.00 +ATOM 1849 CG1 VAL N 133 7.353 2.276 11.997 1.00 0.00 +ATOM 1850 1HG1 VAL N 133 7.463 1.596 11.147 1.00 0.00 +ATOM 1851 2HG1 VAL N 133 7.263 3.326 11.737 1.00 0.00 +ATOM 1852 3HG1 VAL N 133 8.083 1.936 12.727 1.00 0.00 +ATOM 1853 CG2 VAL N 133 6.033 2.626 14.008 1.00 0.00 +ATOM 1854 1HG2 VAL N 133 4.973 2.686 14.277 1.00 0.00 +ATOM 1855 2HG2 VAL N 133 6.613 2.016 14.698 1.00 0.00 +ATOM 1856 3HG2 VAL N 133 6.443 3.626 13.898 1.00 0.00 +ATOM 1857 C VAL N 133 3.653 1.156 12.457 1.00 0.00 +ATOM 1858 O VAL N 133 3.683 -0.064 12.277 1.00 0.00 +ATOM 1859 N VAL N 134 2.613 1.756 13.017 1.00 0.00 +ATOM 1860 H VAL N 134 2.593 2.766 13.087 1.00 0.00 +ATOM 1861 CA VAL N 134 1.593 0.876 13.567 1.00 0.00 +ATOM 1862 HA VAL N 134 1.503 -0.104 13.097 1.00 0.00 +ATOM 1863 CB VAL N 134 1.633 0.736 15.087 1.00 0.00 +ATOM 1864 HB VAL N 134 0.813 0.106 15.427 1.00 0.00 +ATOM 1865 CG1 VAL N 134 2.893 -0.034 15.468 1.00 0.00 +ATOM 1866 1HG1 VAL N 134 2.753 -0.194 16.538 1.00 0.00 +ATOM 1867 2HG1 VAL N 134 2.913 -0.884 14.777 1.00 0.00 +ATOM 1868 3HG1 VAL N 134 3.643 0.706 15.177 1.00 0.00 +ATOM 1869 CG2 VAL N 134 1.563 2.086 15.797 1.00 0.00 +ATOM 1870 1HG2 VAL N 134 1.763 1.856 16.837 1.00 0.00 +ATOM 1871 2HG2 VAL N 134 2.383 2.746 15.527 1.00 0.00 +ATOM 1872 3HG2 VAL N 134 0.533 2.466 15.797 1.00 0.00 +ATOM 1873 C VAL N 134 0.193 1.356 13.238 1.00 0.00 +ATOM 1874 O VAL N 134 -0.697 0.506 13.247 1.00 0.00 +ATOM 1875 N VAL N 135 0.003 2.606 12.808 1.00 0.00 +ATOM 1876 H VAL N 135 0.853 3.156 12.828 1.00 0.00 +ATOM 1877 CA VAL N 135 -1.257 3.056 12.247 1.00 0.00 +ATOM 1878 HA VAL N 135 -1.927 2.856 13.087 1.00 0.00 +ATOM 1879 CB VAL N 135 -1.167 4.526 11.847 1.00 0.00 +ATOM 1880 HB VAL N 135 -0.647 5.006 12.677 1.00 0.00 +ATOM 1881 CG1 VAL N 135 -0.357 4.706 10.567 1.00 0.00 +ATOM 1882 1HG1 VAL N 135 0.453 3.986 10.587 1.00 0.00 +ATOM 1883 2HG1 VAL N 135 -0.927 4.636 9.637 1.00 0.00 +ATOM 1884 3HG1 VAL N 135 -0.017 5.746 10.657 1.00 0.00 +ATOM 1885 CG2 VAL N 135 -2.607 5.016 11.767 1.00 0.00 +ATOM 1886 1HG2 VAL N 135 -3.127 5.026 12.727 1.00 0.00 +ATOM 1887 2HG2 VAL N 135 -2.667 6.056 11.458 1.00 0.00 +ATOM 1888 3HG2 VAL N 135 -3.197 4.486 11.017 1.00 0.00 +ATOM 1889 C VAL N 135 -1.797 2.166 11.147 1.00 0.00 +ATOM 1890 O VAL N 135 -3.007 2.126 10.948 1.00 0.00 +ATOM 1891 N VAL N 136 -1.037 1.336 10.438 1.00 0.00 +ATOM 1892 H VAL N 136 -0.037 1.366 10.577 1.00 0.00 +ATOM 1893 CA VAL N 136 -1.477 0.236 9.597 1.00 0.00 +ATOM 1894 HA VAL N 136 -2.057 0.746 8.827 1.00 0.00 +ATOM 1895 CB VAL N 136 -0.267 -0.374 8.907 1.00 0.00 +ATOM 1896 HB VAL N 136 -0.557 -1.284 8.387 1.00 0.00 +ATOM 1897 CG1 VAL N 136 0.253 0.726 7.977 1.00 0.00 +ATOM 1898 1HG1 VAL N 136 -0.497 0.966 7.218 1.00 0.00 +ATOM 1899 2HG1 VAL N 136 0.513 1.666 8.458 1.00 0.00 +ATOM 1900 3HG1 VAL N 136 1.113 0.296 7.458 1.00 0.00 +ATOM 1901 CG2 VAL N 136 0.843 -0.814 9.847 1.00 0.00 +ATOM 1902 1HG2 VAL N 136 0.323 -1.314 10.677 1.00 0.00 +ATOM 1903 2HG2 VAL N 136 1.563 -1.514 9.417 1.00 0.00 +ATOM 1904 3HG2 VAL N 136 1.383 0.016 10.307 1.00 0.00 +ATOM 1905 C VAL N 136 -2.347 -0.804 10.288 1.00 0.00 +ATOM 1906 O VAL N 136 -3.027 -1.534 9.567 1.00 0.00 +ATOM 1907 N VAL N 137 -2.407 -0.774 11.618 1.00 0.00 +ATOM 1908 H VAL N 137 -1.697 -0.224 12.078 1.00 0.00 +ATOM 1909 CA VAL N 137 -3.147 -1.764 12.378 1.00 0.00 +ATOM 1910 HA VAL N 137 -4.027 -2.114 11.827 1.00 0.00 +ATOM 1911 CB VAL N 137 -2.297 -2.994 12.677 1.00 0.00 +ATOM 1912 HB VAL N 137 -2.877 -3.654 13.317 1.00 0.00 +ATOM 1913 CG1 VAL N 137 -1.867 -3.664 11.378 1.00 0.00 +ATOM 1914 1HG1 VAL N 137 -1.767 -4.744 11.538 1.00 0.00 +ATOM 1915 2HG1 VAL N 137 -2.707 -3.654 10.688 1.00 0.00 +ATOM 1916 3HG1 VAL N 137 -1.027 -3.244 10.827 1.00 0.00 +ATOM 1917 CG2 VAL N 137 -1.077 -2.664 13.538 1.00 0.00 +ATOM 1918 1HG2 VAL N 137 -0.277 -2.164 12.997 1.00 0.00 +ATOM 1919 2HG2 VAL N 137 -1.357 -1.954 14.317 1.00 0.00 +ATOM 1920 3HG2 VAL N 137 -0.637 -3.584 13.927 1.00 0.00 +ATOM 1921 C VAL N 137 -3.807 -1.204 13.628 1.00 0.00 +ATOM 1922 O VAL N 137 -4.367 -1.994 14.387 1.00 0.00 +ATOM 1923 N VAL N 138 -3.597 0.056 14.027 1.00 0.00 +ATOM 1924 H VAL N 138 -3.117 0.666 13.378 1.00 0.00 +ATOM 1925 CA VAL N 138 -4.347 0.646 15.108 1.00 0.00 +ATOM 1926 HA VAL N 138 -5.317 0.146 15.218 1.00 0.00 +ATOM 1927 CB VAL N 138 -3.617 0.406 16.418 1.00 0.00 +ATOM 1928 HB VAL N 138 -3.637 -0.664 16.657 1.00 0.00 +ATOM 1929 CG1 VAL N 138 -2.197 0.936 16.608 1.00 0.00 +ATOM 1930 1HG1 VAL N 138 -1.927 0.556 17.587 1.00 0.00 +ATOM 1931 2HG1 VAL N 138 -1.527 0.356 15.968 1.00 0.00 +ATOM 1932 3HG1 VAL N 138 -2.117 2.016 16.508 1.00 0.00 +ATOM 1933 CG2 VAL N 138 -4.417 0.996 17.578 1.00 0.00 +ATOM 1934 1HG2 VAL N 138 -4.307 2.086 17.648 1.00 0.00 +ATOM 1935 2HG2 VAL N 138 -5.457 0.706 17.448 1.00 0.00 +ATOM 1936 3HG2 VAL N 138 -4.127 0.516 18.508 1.00 0.00 +ATOM 1937 C VAL N 138 -4.587 2.126 14.817 1.00 0.00 +ATOM 1938 O VAL N 138 -3.637 2.806 14.457 1.00 0.00 +ATOM 1939 N VAL N 139 -5.847 2.566 14.957 1.00 0.00 +ATOM 1940 H VAL N 139 -6.627 1.926 14.918 1.00 0.00 +ATOM 1941 CA VAL N 139 -6.107 3.926 14.527 1.00 0.00 +ATOM 1942 HA VAL N 139 -5.127 4.326 14.267 1.00 0.00 +ATOM 1943 CB VAL N 139 -6.957 4.026 13.267 1.00 0.00 +ATOM 1944 HB VAL N 139 -6.977 5.066 12.927 1.00 0.00 +ATOM 1945 CG1 VAL N 139 -6.337 3.246 12.108 1.00 0.00 +ATOM 1946 1HG1 VAL N 139 -6.897 3.556 11.227 1.00 0.00 +ATOM 1947 2HG1 VAL N 139 -5.337 3.496 11.757 1.00 0.00 +ATOM 1948 3HG1 VAL N 139 -6.377 2.196 12.398 1.00 0.00 +ATOM 1949 CG2 VAL N 139 -8.377 3.516 13.497 1.00 0.00 +ATOM 1950 1HG2 VAL N 139 -8.817 3.686 12.517 1.00 0.00 +ATOM 1951 2HG2 VAL N 139 -8.387 2.426 13.608 1.00 0.00 +ATOM 1952 3HG2 VAL N 139 -8.907 4.016 14.308 1.00 0.00 +ATOM 1953 C VAL N 139 -6.827 4.696 15.628 1.00 0.00 +ATOM 1954 O VAL N 139 -7.087 5.876 15.407 1.00 0.00 +ATOM 1955 N NME N 140 -7.157 4.006 16.727 1.00 0.00 +ATOM 1956 H NME N 140 -6.947 3.016 16.788 1.00 0.00 +ATOM 1957 CH3 NME N 140 -7.957 4.506 17.828 1.00 0.00 +ATOM 1958 1HH3 NME N 140 -7.457 5.286 18.387 1.00 0.00 +ATOM 1959 2HH3 NME N 140 -8.857 5.046 17.547 1.00 0.00 +ATOM 1960 3HH3 NME N 140 -8.347 3.706 18.457 1.00 0.00 +ATOM 1961 1HH3 ACE O 141 5.803 20.483 22.788 1.00 0.00 +ATOM 1962 CH3 ACE O 141 5.723 20.333 21.707 1.00 0.00 +ATOM 1963 2HH3 ACE O 141 5.083 21.163 21.407 1.00 0.00 +ATOM 1964 3HH3 ACE O 141 5.163 19.423 21.497 1.00 0.00 +ATOM 1965 C ACE O 141 7.153 20.383 21.187 1.00 0.00 +ATOM 1966 O ACE O 141 7.493 20.933 20.148 1.00 0.00 +ATOM 1967 N VAL O 142 8.023 19.623 21.878 1.00 0.00 +ATOM 1968 H VAL O 142 7.503 19.243 22.648 1.00 0.00 +ATOM 1969 CA VAL O 142 9.433 19.373 21.687 1.00 0.00 +ATOM 1970 HA VAL O 142 9.753 19.563 20.657 1.00 0.00 +ATOM 1971 CB VAL O 142 10.253 20.413 22.437 1.00 0.00 +ATOM 1972 HB VAL O 142 11.323 20.183 22.418 1.00 0.00 +ATOM 1973 CG1 VAL O 142 10.213 21.773 21.747 1.00 0.00 +ATOM 1974 1HG1 VAL O 142 10.853 22.503 22.227 1.00 0.00 +ATOM 1975 2HG1 VAL O 142 10.663 21.713 20.758 1.00 0.00 +ATOM 1976 3HG1 VAL O 142 9.213 22.133 21.497 1.00 0.00 +ATOM 1977 CG2 VAL O 142 9.813 20.513 23.898 1.00 0.00 +ATOM 1978 1HG2 VAL O 142 8.853 21.003 24.058 1.00 0.00 +ATOM 1979 2HG2 VAL O 142 9.863 19.523 24.367 1.00 0.00 +ATOM 1980 3HG2 VAL O 142 10.483 21.173 24.448 1.00 0.00 +ATOM 1981 C VAL O 142 9.863 17.943 21.988 1.00 0.00 +ATOM 1982 O VAL O 142 10.843 17.503 21.398 1.00 0.00 +ATOM 1983 N VAL O 143 9.103 17.143 22.747 1.00 0.00 +ATOM 1984 H VAL O 143 8.283 17.443 23.258 1.00 0.00 +ATOM 1985 CA VAL O 143 9.463 15.753 22.898 1.00 0.00 +ATOM 1986 HA VAL O 143 10.443 15.533 22.488 1.00 0.00 +ATOM 1987 CB VAL O 143 9.613 15.423 24.378 1.00 0.00 +ATOM 1988 HB VAL O 143 10.193 14.503 24.418 1.00 0.00 +ATOM 1989 CG1 VAL O 143 10.443 16.453 25.128 1.00 0.00 +ATOM 1990 1HG1 VAL O 143 11.353 16.643 24.558 1.00 0.00 +ATOM 1991 2HG1 VAL O 143 9.923 17.403 25.258 1.00 0.00 +ATOM 1992 3HG1 VAL O 143 10.633 16.033 26.117 1.00 0.00 +ATOM 1993 CG2 VAL O 143 8.293 15.133 25.108 1.00 0.00 +ATOM 1994 1HG2 VAL O 143 7.553 15.923 25.198 1.00 0.00 +ATOM 1995 2HG2 VAL O 143 7.793 14.283 24.637 1.00 0.00 +ATOM 1996 3HG2 VAL O 143 8.453 14.673 26.078 1.00 0.00 +ATOM 1997 C VAL O 143 8.603 14.723 22.187 1.00 0.00 +ATOM 1998 O VAL O 143 8.943 13.543 22.108 1.00 0.00 +ATOM 1999 N VAL O 144 7.523 15.173 21.538 1.00 0.00 +ATOM 2000 H VAL O 144 7.473 16.173 21.707 1.00 0.00 +ATOM 2001 CA VAL O 144 6.423 14.453 20.948 1.00 0.00 +ATOM 2002 HA VAL O 144 5.913 13.873 21.718 1.00 0.00 +ATOM 2003 CB VAL O 144 5.393 15.493 20.508 1.00 0.00 +ATOM 2004 HB VAL O 144 4.543 15.083 19.957 1.00 0.00 +ATOM 2005 CG1 VAL O 144 4.713 16.173 21.687 1.00 0.00 +ATOM 2006 1HG1 VAL O 144 4.193 15.383 22.218 1.00 0.00 +ATOM 2007 2HG1 VAL O 144 5.463 16.563 22.378 1.00 0.00 +ATOM 2008 3HG1 VAL O 144 4.013 16.973 21.427 1.00 0.00 +ATOM 2009 CG2 VAL O 144 6.003 16.563 19.608 1.00 0.00 +ATOM 2010 1HG2 VAL O 144 6.713 17.223 20.108 1.00 0.00 +ATOM 2011 2HG2 VAL O 144 6.423 16.053 18.738 1.00 0.00 +ATOM 2012 3HG2 VAL O 144 5.293 17.233 19.128 1.00 0.00 +ATOM 2013 C VAL O 144 6.823 13.483 19.837 1.00 0.00 +ATOM 2014 O VAL O 144 5.953 12.813 19.308 1.00 0.00 +ATOM 2015 N VAL O 145 8.083 13.323 19.407 1.00 0.00 +ATOM 2016 H VAL O 145 8.703 14.033 19.747 1.00 0.00 +ATOM 2017 CA VAL O 145 8.593 12.363 18.448 1.00 0.00 +ATOM 2018 HA VAL O 145 7.753 11.903 17.927 1.00 0.00 +ATOM 2019 CB VAL O 145 9.573 13.033 17.488 1.00 0.00 +ATOM 2020 HB VAL O 145 10.293 13.703 17.968 1.00 0.00 +ATOM 2021 CG1 VAL O 145 10.283 12.143 16.477 1.00 0.00 +ATOM 2022 1HG1 VAL O 145 10.953 11.473 17.027 1.00 0.00 +ATOM 2023 2HG1 VAL O 145 9.653 11.553 15.817 1.00 0.00 +ATOM 2024 3HG1 VAL O 145 11.113 12.613 15.948 1.00 0.00 +ATOM 2025 CG2 VAL O 145 8.723 13.863 16.527 1.00 0.00 +ATOM 2026 1HG2 VAL O 145 9.193 14.033 15.558 1.00 0.00 +ATOM 2027 2HG2 VAL O 145 7.713 13.453 16.497 1.00 0.00 +ATOM 2028 3HG2 VAL O 145 8.663 14.823 17.038 1.00 0.00 +ATOM 2029 C VAL O 145 9.213 11.203 19.207 1.00 0.00 +ATOM 2030 O VAL O 145 8.783 10.053 19.097 1.00 0.00 +ATOM 2031 N VAL O 146 10.193 11.463 20.078 1.00 0.00 +ATOM 2032 H VAL O 146 10.433 12.433 20.168 1.00 0.00 +ATOM 2033 CA VAL O 146 11.043 10.473 20.718 1.00 0.00 +ATOM 2034 HA VAL O 146 11.303 9.743 19.948 1.00 0.00 +ATOM 2035 CB VAL O 146 12.323 11.023 21.337 1.00 0.00 +ATOM 2036 HB VAL O 146 12.873 10.183 21.758 1.00 0.00 +ATOM 2037 CG1 VAL O 146 13.323 11.643 20.358 1.00 0.00 +ATOM 2038 1HG1 VAL O 146 13.683 10.883 19.668 1.00 0.00 +ATOM 2039 2HG1 VAL O 146 12.933 12.473 19.747 1.00 0.00 +ATOM 2040 3HG1 VAL O 146 14.193 11.983 20.918 1.00 0.00 +ATOM 2041 CG2 VAL O 146 12.083 12.153 22.337 1.00 0.00 +ATOM 2042 1HG2 VAL O 146 12.023 13.163 21.937 1.00 0.00 +ATOM 2043 2HG2 VAL O 146 11.223 12.003 22.988 1.00 0.00 +ATOM 2044 3HG2 VAL O 146 12.913 12.163 23.047 1.00 0.00 +ATOM 2045 C VAL O 146 10.183 9.653 21.668 1.00 0.00 +ATOM 2046 O VAL O 146 10.523 8.493 21.858 1.00 0.00 +ATOM 2047 N VAL O 147 9.053 10.173 22.148 1.00 0.00 +ATOM 2048 H VAL O 147 8.803 11.153 22.058 1.00 0.00 +ATOM 2049 CA VAL O 147 8.283 9.393 23.097 1.00 0.00 +ATOM 2050 HA VAL O 147 8.963 8.823 23.727 1.00 0.00 +ATOM 2051 CB VAL O 147 7.313 10.253 23.907 1.00 0.00 +ATOM 2052 HB VAL O 147 6.693 9.653 24.567 1.00 0.00 +ATOM 2053 CG1 VAL O 147 8.133 11.233 24.738 1.00 0.00 +ATOM 2054 1HG1 VAL O 147 7.463 12.003 25.128 1.00 0.00 +ATOM 2055 2HG1 VAL O 147 8.583 10.743 25.597 1.00 0.00 +ATOM 2056 3HG1 VAL O 147 8.933 11.593 24.097 1.00 0.00 +ATOM 2057 CG2 VAL O 147 6.433 11.093 22.988 1.00 0.00 +ATOM 2058 1HG2 VAL O 147 5.653 11.493 23.628 1.00 0.00 +ATOM 2059 2HG2 VAL O 147 7.013 11.923 22.587 1.00 0.00 +ATOM 2060 3HG2 VAL O 147 6.043 10.473 22.177 1.00 0.00 +ATOM 2061 C VAL O 147 7.443 8.253 22.538 1.00 0.00 +ATOM 2062 O VAL O 147 6.963 7.443 23.337 1.00 0.00 +ATOM 2063 N VAL O 148 7.333 8.163 21.218 1.00 0.00 +ATOM 2064 H VAL O 148 7.953 8.763 20.687 1.00 0.00 +ATOM 2065 CA VAL O 148 6.603 7.093 20.558 1.00 0.00 +ATOM 2066 HA VAL O 148 6.413 6.263 21.227 1.00 0.00 +ATOM 2067 CB VAL O 148 5.273 7.543 19.977 1.00 0.00 +ATOM 2068 HB VAL O 148 5.013 6.913 19.117 1.00 0.00 +ATOM 2069 CG1 VAL O 148 4.123 7.223 20.918 1.00 0.00 +ATOM 2070 1HG1 VAL O 148 4.103 6.183 21.238 1.00 0.00 +ATOM 2071 2HG1 VAL O 148 4.143 7.773 21.858 1.00 0.00 +ATOM 2072 3HG1 VAL O 148 3.133 7.413 20.497 1.00 0.00 +ATOM 2073 CG2 VAL O 148 5.253 9.003 19.527 1.00 0.00 +ATOM 2074 1HG2 VAL O 148 5.533 9.593 20.398 1.00 0.00 +ATOM 2075 2HG2 VAL O 148 6.023 9.183 18.777 1.00 0.00 +ATOM 2076 3HG2 VAL O 148 4.263 9.223 19.117 1.00 0.00 +ATOM 2077 C VAL O 148 7.483 6.453 19.488 1.00 0.00 +ATOM 2078 O VAL O 148 7.463 5.233 19.317 1.00 0.00 +ATOM 2079 N VAL O 149 8.163 7.263 18.677 1.00 0.00 +ATOM 2080 H VAL O 149 8.333 8.223 18.937 1.00 0.00 +ATOM 2081 CA VAL O 149 8.703 6.793 17.418 1.00 0.00 +ATOM 2082 HA VAL O 149 8.423 5.733 17.427 1.00 0.00 +ATOM 2083 CB VAL O 149 8.123 7.343 16.117 1.00 0.00 +ATOM 2084 HB VAL O 149 8.713 6.853 15.347 1.00 0.00 +ATOM 2085 CG1 VAL O 149 6.703 6.923 15.747 1.00 0.00 +ATOM 2086 1HG1 VAL O 149 6.603 6.883 14.657 1.00 0.00 +ATOM 2087 2HG1 VAL O 149 6.463 5.923 16.097 1.00 0.00 +ATOM 2088 3HG1 VAL O 149 5.983 7.643 16.117 1.00 0.00 +ATOM 2089 CG2 VAL O 149 8.403 8.833 15.937 1.00 0.00 +ATOM 2090 1HG2 VAL O 149 8.363 9.133 14.898 1.00 0.00 +ATOM 2091 2HG2 VAL O 149 7.723 9.363 16.608 1.00 0.00 +ATOM 2092 3HG2 VAL O 149 9.423 9.083 16.247 1.00 0.00 +ATOM 2093 C VAL O 149 10.223 6.793 17.407 1.00 0.00 +ATOM 2094 O VAL O 149 10.773 6.363 16.398 1.00 0.00 +ATOM 2095 N NME O 150 10.823 7.443 18.407 1.00 0.00 +ATOM 2096 H NME O 150 10.213 7.743 19.157 1.00 0.00 +ATOM 2097 CH3 NME O 150 12.253 7.663 18.497 1.00 0.00 +ATOM 2098 1HH3 NME O 150 12.743 6.713 18.297 1.00 0.00 +ATOM 2099 2HH3 NME O 150 12.673 8.513 17.948 1.00 0.00 +ATOM 2100 3HH3 NME O 150 12.313 8.063 19.508 1.00 0.00 +ATOM 2101 1HH3 ACE P 151 -23.491 21.343 3.417 1.00 0.00 +ATOM 2102 CH3 ACE P 151 -22.421 21.253 3.597 1.00 0.00 +ATOM 2103 2HH3 ACE P 151 -22.181 22.243 3.987 1.00 0.00 +ATOM 2104 3HH3 ACE P 151 -21.971 21.003 2.637 1.00 0.00 +ATOM 2105 C ACE P 151 -22.071 20.163 4.618 1.00 0.00 +ATOM 2106 O ACE P 151 -21.251 19.303 4.317 1.00 0.00 +ATOM 2107 N VAL P 152 -22.701 20.183 5.788 1.00 0.00 +ATOM 2108 H VAL P 152 -23.501 20.793 5.788 1.00 0.00 +ATOM 2109 CA VAL P 152 -22.301 19.513 7.017 1.00 0.00 +ATOM 2110 HA VAL P 152 -21.221 19.633 7.147 1.00 0.00 +ATOM 2111 CB VAL P 152 -23.141 19.863 8.247 1.00 0.00 +ATOM 2112 HB VAL P 152 -22.851 19.093 8.968 1.00 0.00 +ATOM 2113 CG1 VAL P 152 -22.661 21.193 8.827 1.00 0.00 +ATOM 2114 1HG1 VAL P 152 -21.571 21.203 8.907 1.00 0.00 +ATOM 2115 2HG1 VAL P 152 -23.031 22.043 8.247 1.00 0.00 +ATOM 2116 3HG1 VAL P 152 -23.201 21.373 9.757 1.00 0.00 +ATOM 2117 CG2 VAL P 152 -24.621 19.763 7.897 1.00 0.00 +ATOM 2118 1HG2 VAL P 152 -24.841 18.793 7.448 1.00 0.00 +ATOM 2119 2HG2 VAL P 152 -25.051 19.993 8.868 1.00 0.00 +ATOM 2120 3HG2 VAL P 152 -24.941 20.503 7.157 1.00 0.00 +ATOM 2121 C VAL P 152 -22.371 18.013 6.827 1.00 0.00 +ATOM 2122 O VAL P 152 -21.651 17.283 7.507 1.00 0.00 +ATOM 2123 N VAL P 153 -23.021 17.553 5.747 1.00 0.00 +ATOM 2124 H VAL P 153 -23.591 18.213 5.247 1.00 0.00 +ATOM 2125 CA VAL P 153 -23.031 16.173 5.298 1.00 0.00 +ATOM 2126 HA VAL P 153 -23.101 15.513 6.167 1.00 0.00 +ATOM 2127 CB VAL P 153 -24.211 15.843 4.378 1.00 0.00 +ATOM 2128 HB VAL P 153 -24.081 14.793 4.108 1.00 0.00 +ATOM 2129 CG1 VAL P 153 -25.601 16.033 4.977 1.00 0.00 +ATOM 2130 1HG1 VAL P 153 -26.311 15.543 4.317 1.00 0.00 +ATOM 2131 2HG1 VAL P 153 -25.651 15.453 5.907 1.00 0.00 +ATOM 2132 3HG1 VAL P 153 -25.771 17.093 5.108 1.00 0.00 +ATOM 2133 CG2 VAL P 153 -24.191 16.603 3.057 1.00 0.00 +ATOM 2134 1HG2 VAL P 153 -25.141 16.903 2.608 1.00 0.00 +ATOM 2135 2HG2 VAL P 153 -23.661 17.553 3.067 1.00 0.00 +ATOM 2136 3HG2 VAL P 153 -23.741 15.993 2.278 1.00 0.00 +ATOM 2137 C VAL P 153 -21.791 15.623 4.597 1.00 0.00 +ATOM 2138 O VAL P 153 -21.591 14.423 4.468 1.00 0.00 +ATOM 2139 N VAL P 154 -20.941 16.523 4.097 1.00 0.00 +ATOM 2140 H VAL P 154 -21.121 17.503 4.218 1.00 0.00 +ATOM 2141 CA VAL P 154 -19.861 16.053 3.257 1.00 0.00 +ATOM 2142 HA VAL P 154 -19.481 15.073 3.557 1.00 0.00 +ATOM 2143 CB VAL P 154 -20.381 15.843 1.837 1.00 0.00 +ATOM 2144 HB VAL P 154 -21.371 15.393 1.788 1.00 0.00 +ATOM 2145 CG1 VAL P 154 -20.511 17.143 1.048 1.00 0.00 +ATOM 2146 1HG1 VAL P 154 -21.041 17.923 1.597 1.00 0.00 +ATOM 2147 2HG1 VAL P 154 -19.531 17.563 0.858 1.00 0.00 +ATOM 2148 3HG1 VAL P 154 -20.951 16.993 0.067 1.00 0.00 +ATOM 2149 CG2 VAL P 154 -19.601 14.923 0.897 1.00 0.00 +ATOM 2150 1HG2 VAL P 154 -20.081 14.903 -0.083 1.00 0.00 +ATOM 2151 2HG2 VAL P 154 -18.581 15.293 0.827 1.00 0.00 +ATOM 2152 3HG2 VAL P 154 -19.641 13.913 1.298 1.00 0.00 +ATOM 2153 C VAL P 154 -18.571 16.863 3.227 1.00 0.00 +ATOM 2154 O VAL P 154 -17.541 16.273 2.917 1.00 0.00 +ATOM 2155 N VAL P 155 -18.591 18.193 3.387 1.00 0.00 +ATOM 2156 H VAL P 155 -19.461 18.563 3.737 1.00 0.00 +ATOM 2157 CA VAL P 155 -17.481 19.103 3.188 1.00 0.00 +ATOM 2158 HA VAL P 155 -17.361 19.133 2.108 1.00 0.00 +ATOM 2159 CB VAL P 155 -17.761 20.573 3.477 1.00 0.00 +ATOM 2160 HB VAL P 155 -16.841 21.163 3.417 1.00 0.00 +ATOM 2161 CG1 VAL P 155 -18.841 21.123 2.548 1.00 0.00 +ATOM 2162 1HG1 VAL P 155 -19.301 22.053 2.858 1.00 0.00 +ATOM 2163 2HG1 VAL P 155 -18.461 21.173 1.517 1.00 0.00 +ATOM 2164 3HG1 VAL P 155 -19.721 20.503 2.667 1.00 0.00 +ATOM 2165 CG2 VAL P 155 -18.291 20.773 4.887 1.00 0.00 +ATOM 2166 1HG2 VAL P 155 -19.111 20.123 5.227 1.00 0.00 +ATOM 2167 2HG2 VAL P 155 -17.411 20.543 5.477 1.00 0.00 +ATOM 2168 3HG2 VAL P 155 -18.571 21.813 5.038 1.00 0.00 +ATOM 2169 C VAL P 155 -16.171 18.703 3.847 1.00 0.00 +ATOM 2170 O VAL P 155 -15.191 18.903 3.128 1.00 0.00 +ATOM 2171 N VAL P 156 -16.161 17.943 4.948 1.00 0.00 +ATOM 2172 H VAL P 156 -16.971 17.903 5.548 1.00 0.00 +ATOM 2173 CA VAL P 156 -14.891 17.463 5.458 1.00 0.00 +ATOM 2174 HA VAL P 156 -14.401 18.433 5.608 1.00 0.00 +ATOM 2175 CB VAL P 156 -15.061 16.833 6.837 1.00 0.00 +ATOM 2176 HB VAL P 156 -14.081 16.463 7.157 1.00 0.00 +ATOM 2177 CG1 VAL P 156 -15.421 17.863 7.897 1.00 0.00 +ATOM 2178 1HG1 VAL P 156 -14.461 18.183 8.307 1.00 0.00 +ATOM 2179 2HG1 VAL P 156 -16.011 18.683 7.477 1.00 0.00 +ATOM 2180 3HG1 VAL P 156 -15.951 17.343 8.698 1.00 0.00 +ATOM 2181 CG2 VAL P 156 -15.981 15.613 6.887 1.00 0.00 +ATOM 2182 1HG2 VAL P 156 -15.731 15.123 7.827 1.00 0.00 +ATOM 2183 2HG2 VAL P 156 -17.001 15.983 6.907 1.00 0.00 +ATOM 2184 3HG2 VAL P 156 -15.861 14.863 6.108 1.00 0.00 +ATOM 2185 C VAL P 156 -14.051 16.583 4.548 1.00 0.00 +ATOM 2186 O VAL P 156 -12.891 16.333 4.858 1.00 0.00 +ATOM 2187 N VAL P 157 -14.571 16.003 3.468 1.00 0.00 +ATOM 2188 H VAL P 157 -15.551 16.073 3.227 1.00 0.00 +ATOM 2189 CA VAL P 157 -13.861 15.193 2.487 1.00 0.00 +ATOM 2190 HA VAL P 157 -13.501 14.283 2.977 1.00 0.00 +ATOM 2191 CB VAL P 157 -14.741 14.663 1.358 1.00 0.00 +ATOM 2192 HB VAL P 157 -14.021 14.253 0.647 1.00 0.00 +ATOM 2193 CG1 VAL P 157 -15.781 13.593 1.677 1.00 0.00 +ATOM 2194 1HG1 VAL P 157 -15.371 12.693 2.147 1.00 0.00 +ATOM 2195 2HG1 VAL P 157 -16.521 13.863 2.427 1.00 0.00 +ATOM 2196 3HG1 VAL P 157 -16.261 13.183 0.788 1.00 0.00 +ATOM 2197 CG2 VAL P 157 -15.471 15.783 0.618 1.00 0.00 +ATOM 2198 1HG2 VAL P 157 -16.431 15.413 0.267 1.00 0.00 +ATOM 2199 2HG2 VAL P 157 -15.651 16.673 1.218 1.00 0.00 +ATOM 2200 3HG2 VAL P 157 -14.821 15.923 -0.243 1.00 0.00 +ATOM 2201 C VAL P 157 -12.721 15.963 1.858 1.00 0.00 +ATOM 2202 O VAL P 157 -11.821 15.313 1.317 1.00 0.00 +ATOM 2203 N VAL P 158 -12.791 17.293 1.767 1.00 0.00 +ATOM 2204 H VAL P 158 -13.571 17.723 2.247 1.00 0.00 +ATOM 2205 CA VAL P 158 -11.721 18.143 1.298 1.00 0.00 +ATOM 2206 HA VAL P 158 -10.771 17.673 1.028 1.00 0.00 +ATOM 2207 CB VAL P 158 -12.081 19.083 0.147 1.00 0.00 +ATOM 2208 HB VAL P 158 -11.271 19.733 -0.173 1.00 0.00 +ATOM 2209 CG1 VAL P 158 -12.441 18.283 -1.103 1.00 0.00 +ATOM 2210 1HG1 VAL P 158 -13.361 17.733 -0.952 1.00 0.00 +ATOM 2211 2HG1 VAL P 158 -12.451 19.003 -1.923 1.00 0.00 +ATOM 2212 3HG1 VAL P 158 -11.661 17.553 -1.312 1.00 0.00 +ATOM 2213 CG2 VAL P 158 -13.141 20.153 0.358 1.00 0.00 +ATOM 2214 1HG2 VAL P 158 -12.781 20.803 1.147 1.00 0.00 +ATOM 2215 2HG2 VAL P 158 -13.281 20.703 -0.573 1.00 0.00 +ATOM 2216 3HG2 VAL P 158 -14.071 19.673 0.677 1.00 0.00 +ATOM 2217 C VAL P 158 -11.061 19.013 2.368 1.00 0.00 +ATOM 2218 O VAL P 158 -9.861 19.253 2.247 1.00 0.00 +ATOM 2219 N VAL P 159 -11.771 19.343 3.438 1.00 0.00 +ATOM 2220 H VAL P 159 -12.731 19.053 3.497 1.00 0.00 +ATOM 2221 CA VAL P 159 -11.361 20.343 4.417 1.00 0.00 +ATOM 2222 HA VAL P 159 -10.321 20.633 4.278 1.00 0.00 +ATOM 2223 CB VAL P 159 -12.231 21.593 4.358 1.00 0.00 +ATOM 2224 HB VAL P 159 -11.971 21.993 3.378 1.00 0.00 +ATOM 2225 CG1 VAL P 159 -13.741 21.503 4.128 1.00 0.00 +ATOM 2226 1HG1 VAL P 159 -14.161 22.503 4.208 1.00 0.00 +ATOM 2227 2HG1 VAL P 159 -13.971 20.953 3.208 1.00 0.00 +ATOM 2228 3HG1 VAL P 159 -14.051 20.883 4.977 1.00 0.00 +ATOM 2229 CG2 VAL P 159 -11.801 22.763 5.227 1.00 0.00 +ATOM 2230 1HG2 VAL P 159 -10.711 22.813 5.188 1.00 0.00 +ATOM 2231 2HG2 VAL P 159 -12.201 23.703 4.837 1.00 0.00 +ATOM 2232 3HG2 VAL P 159 -12.101 22.453 6.227 1.00 0.00 +ATOM 2233 C VAL P 159 -11.321 19.693 5.798 1.00 0.00 +ATOM 2234 O VAL P 159 -12.171 19.953 6.637 1.00 0.00 +ATOM 2235 N NME P 160 -10.271 18.903 6.048 1.00 0.00 +ATOM 2236 H NME P 160 -9.711 18.663 5.247 1.00 0.00 +ATOM 2237 CH3 NME P 160 -9.961 18.403 7.368 1.00 0.00 +ATOM 2238 1HH3 NME P 160 -10.321 17.383 7.567 1.00 0.00 +ATOM 2239 2HH3 NME P 160 -8.951 18.633 7.688 1.00 0.00 +ATOM 2240 3HH3 NME P 160 -10.461 18.983 8.147 1.00 0.00 +ATOM 2241 1HH3 ACE Q 161 -13.831 -28.954 5.708 1.00 0.00 +ATOM 2242 CH3 ACE Q 161 -13.421 -29.964 5.708 1.00 0.00 +ATOM 2243 2HH3 ACE Q 161 -12.341 -29.894 5.597 1.00 0.00 +ATOM 2244 3HH3 ACE Q 161 -13.641 -30.614 4.858 1.00 0.00 +ATOM 2245 C ACE Q 161 -13.801 -30.724 6.977 1.00 0.00 +ATOM 2246 O ACE Q 161 -14.721 -30.294 7.667 1.00 0.00 +ATOM 2247 N VAL Q 162 -13.191 -31.894 7.157 1.00 0.00 +ATOM 2248 H VAL Q 162 -12.571 -32.154 6.397 1.00 0.00 +ATOM 2249 CA VAL Q 162 -13.361 -32.784 8.298 1.00 0.00 +ATOM 2250 HA VAL Q 162 -14.421 -33.054 8.247 1.00 0.00 +ATOM 2251 CB VAL Q 162 -12.681 -34.144 8.188 1.00 0.00 +ATOM 2252 HB VAL Q 162 -12.981 -34.844 8.968 1.00 0.00 +ATOM 2253 CG1 VAL Q 162 -12.941 -34.894 6.887 1.00 0.00 +ATOM 2254 1HG1 VAL Q 162 -13.991 -34.884 6.618 1.00 0.00 +ATOM 2255 2HG1 VAL Q 162 -12.351 -34.554 6.038 1.00 0.00 +ATOM 2256 3HG1 VAL Q 162 -12.571 -35.924 6.948 1.00 0.00 +ATOM 2257 CG2 VAL Q 162 -11.161 -34.144 8.208 1.00 0.00 +ATOM 2258 1HG2 VAL Q 162 -10.761 -35.154 8.108 1.00 0.00 +ATOM 2259 2HG2 VAL Q 162 -10.631 -33.514 7.487 1.00 0.00 +ATOM 2260 3HG2 VAL Q 162 -10.941 -33.664 9.167 1.00 0.00 +ATOM 2261 C VAL Q 162 -13.151 -32.134 9.657 1.00 0.00 +ATOM 2262 O VAL Q 162 -13.601 -32.654 10.677 1.00 0.00 +ATOM 2263 N VAL Q 163 -12.371 -31.064 9.767 1.00 0.00 +ATOM 2264 H VAL Q 163 -11.821 -30.854 8.948 1.00 0.00 +ATOM 2265 CA VAL Q 163 -12.211 -30.174 10.907 1.00 0.00 +ATOM 2266 HA VAL Q 163 -13.041 -30.384 11.577 1.00 0.00 +ATOM 2267 CB VAL Q 163 -10.991 -30.474 11.778 1.00 0.00 +ATOM 2268 HB VAL Q 163 -11.031 -29.694 12.538 1.00 0.00 +ATOM 2269 CG1 VAL Q 163 -11.091 -31.874 12.358 1.00 0.00 +ATOM 2270 1HG1 VAL Q 163 -12.121 -31.944 12.738 1.00 0.00 +ATOM 2271 2HG1 VAL Q 163 -10.981 -32.614 11.567 1.00 0.00 +ATOM 2272 3HG1 VAL Q 163 -10.281 -31.974 13.078 1.00 0.00 +ATOM 2273 CG2 VAL Q 163 -9.611 -30.494 11.128 1.00 0.00 +ATOM 2274 1HG2 VAL Q 163 -9.611 -31.224 10.317 1.00 0.00 +ATOM 2275 2HG2 VAL Q 163 -9.451 -29.474 10.788 1.00 0.00 +ATOM 2276 3HG2 VAL Q 163 -8.831 -30.644 11.878 1.00 0.00 +ATOM 2277 C VAL Q 163 -12.181 -28.684 10.608 1.00 0.00 +ATOM 2278 O VAL Q 163 -12.371 -27.804 11.448 1.00 0.00 +ATOM 2279 N VAL Q 164 -12.001 -28.334 9.337 1.00 0.00 +ATOM 2280 H VAL Q 164 -11.771 -29.014 8.628 1.00 0.00 +ATOM 2281 CA VAL Q 164 -11.991 -26.994 8.788 1.00 0.00 +ATOM 2282 HA VAL Q 164 -12.921 -26.494 9.067 1.00 0.00 +ATOM 2283 CB VAL Q 164 -10.741 -26.254 9.247 1.00 0.00 +ATOM 2284 HB VAL Q 164 -10.511 -26.594 10.257 1.00 0.00 +ATOM 2285 CG1 VAL Q 164 -9.431 -26.454 8.497 1.00 0.00 +ATOM 2286 1HG1 VAL Q 164 -9.261 -25.814 7.637 1.00 0.00 +ATOM 2287 2HG1 VAL Q 164 -8.571 -26.254 9.147 1.00 0.00 +ATOM 2288 3HG1 VAL Q 164 -9.221 -27.484 8.177 1.00 0.00 +ATOM 2289 CG2 VAL Q 164 -10.981 -24.754 9.368 1.00 0.00 +ATOM 2290 1HG2 VAL Q 164 -10.061 -24.354 9.798 1.00 0.00 +ATOM 2291 2HG2 VAL Q 164 -11.211 -24.304 8.407 1.00 0.00 +ATOM 2292 3HG2 VAL Q 164 -11.841 -24.494 9.997 1.00 0.00 +ATOM 2293 C VAL Q 164 -12.021 -27.014 7.257 1.00 0.00 +ATOM 2294 O VAL Q 164 -11.371 -27.874 6.657 1.00 0.00 +ATOM 2295 N VAL Q 165 -12.701 -26.064 6.628 1.00 0.00 +ATOM 2296 H VAL Q 165 -13.101 -25.284 7.137 1.00 0.00 +ATOM 2297 CA VAL Q 165 -12.771 -25.934 5.188 1.00 0.00 +ATOM 2298 HA VAL Q 165 -12.551 -26.904 4.737 1.00 0.00 +ATOM 2299 CB VAL Q 165 -14.161 -25.454 4.788 1.00 0.00 +ATOM 2300 HB VAL Q 165 -14.351 -24.554 5.378 1.00 0.00 +ATOM 2301 CG1 VAL Q 165 -14.431 -24.984 3.358 1.00 0.00 +ATOM 2302 1HG1 VAL Q 165 -13.741 -24.194 3.087 1.00 0.00 +ATOM 2303 2HG1 VAL Q 165 -14.341 -25.824 2.657 1.00 0.00 +ATOM 2304 3HG1 VAL Q 165 -15.411 -24.524 3.288 1.00 0.00 +ATOM 2305 CG2 VAL Q 165 -15.181 -26.574 4.958 1.00 0.00 +ATOM 2306 1HG2 VAL Q 165 -15.181 -27.324 4.167 1.00 0.00 +ATOM 2307 2HG2 VAL Q 165 -15.061 -27.034 5.938 1.00 0.00 +ATOM 2308 3HG2 VAL Q 165 -16.231 -26.284 5.038 1.00 0.00 +ATOM 2309 C VAL Q 165 -11.711 -24.914 4.798 1.00 0.00 +ATOM 2310 O VAL Q 165 -11.121 -25.124 3.747 1.00 0.00 +ATOM 2311 N VAL Q 166 -11.541 -23.774 5.468 1.00 0.00 +ATOM 2312 H VAL Q 166 -12.131 -23.734 6.298 1.00 0.00 +ATOM 2313 CA VAL Q 166 -10.821 -22.584 5.077 1.00 0.00 +ATOM 2314 HA VAL Q 166 -10.201 -22.814 4.208 1.00 0.00 +ATOM 2315 CB VAL Q 166 -11.691 -21.394 4.677 1.00 0.00 +ATOM 2316 HB VAL Q 166 -11.011 -20.544 4.727 1.00 0.00 +ATOM 2317 CG1 VAL Q 166 -12.061 -21.354 3.198 1.00 0.00 +ATOM 2318 1HG1 VAL Q 166 -12.731 -22.164 2.917 1.00 0.00 +ATOM 2319 2HG1 VAL Q 166 -12.621 -20.454 2.948 1.00 0.00 +ATOM 2320 3HG1 VAL Q 166 -11.251 -21.294 2.468 1.00 0.00 +ATOM 2321 CG2 VAL Q 166 -12.921 -21.204 5.557 1.00 0.00 +ATOM 2322 1HG2 VAL Q 166 -13.271 -20.174 5.448 1.00 0.00 +ATOM 2323 2HG2 VAL Q 166 -13.811 -21.774 5.267 1.00 0.00 +ATOM 2324 3HG2 VAL Q 166 -12.581 -21.194 6.587 1.00 0.00 +ATOM 2325 C VAL Q 166 -9.991 -22.004 6.218 1.00 0.00 +ATOM 2326 O VAL Q 166 -10.451 -21.864 7.347 1.00 0.00 +ATOM 2327 N VAL Q 167 -8.751 -21.634 5.887 1.00 0.00 +ATOM 2328 H VAL Q 167 -8.391 -21.884 4.977 1.00 0.00 +ATOM 2329 CA VAL Q 167 -7.821 -20.904 6.727 1.00 0.00 +ATOM 2330 HA VAL Q 167 -8.301 -20.474 7.608 1.00 0.00 +ATOM 2331 CB VAL Q 167 -6.691 -21.894 6.977 1.00 0.00 +ATOM 2332 HB VAL Q 167 -6.151 -22.214 6.077 1.00 0.00 +ATOM 2333 CG1 VAL Q 167 -5.721 -21.184 7.917 1.00 0.00 +ATOM 2334 1HG1 VAL Q 167 -6.251 -20.534 8.618 1.00 0.00 +ATOM 2335 2HG1 VAL Q 167 -5.091 -21.874 8.468 1.00 0.00 +ATOM 2336 3HG1 VAL Q 167 -5.121 -20.644 7.188 1.00 0.00 +ATOM 2337 CG2 VAL Q 167 -7.201 -23.144 7.688 1.00 0.00 +ATOM 2338 1HG2 VAL Q 167 -7.921 -22.944 8.477 1.00 0.00 +ATOM 2339 2HG2 VAL Q 167 -7.781 -23.814 7.048 1.00 0.00 +ATOM 2340 3HG2 VAL Q 167 -6.431 -23.744 8.167 1.00 0.00 +ATOM 2341 C VAL Q 167 -7.351 -19.594 6.118 1.00 0.00 +ATOM 2342 O VAL Q 167 -6.601 -19.614 5.137 1.00 0.00 +ATOM 2343 N VAL Q 168 -7.921 -18.454 6.528 1.00 0.00 +ATOM 2344 H VAL Q 168 -8.451 -18.434 7.387 1.00 0.00 +ATOM 2345 CA VAL Q 168 -8.001 -17.294 5.667 1.00 0.00 +ATOM 2346 HA VAL Q 168 -7.391 -17.474 4.778 1.00 0.00 +ATOM 2347 CB VAL Q 168 -9.411 -16.994 5.157 1.00 0.00 +ATOM 2348 HB VAL Q 168 -9.841 -17.994 5.188 1.00 0.00 +ATOM 2349 CG1 VAL Q 168 -10.271 -16.054 5.997 1.00 0.00 +ATOM 2350 1HG1 VAL Q 168 -10.141 -15.004 5.708 1.00 0.00 +ATOM 2351 2HG1 VAL Q 168 -11.301 -16.314 5.767 1.00 0.00 +ATOM 2352 3HG1 VAL Q 168 -9.901 -16.214 7.007 1.00 0.00 +ATOM 2353 CG2 VAL Q 168 -9.531 -16.424 3.757 1.00 0.00 +ATOM 2354 1HG2 VAL Q 168 -8.931 -16.974 3.028 1.00 0.00 +ATOM 2355 2HG2 VAL Q 168 -10.501 -16.704 3.347 1.00 0.00 +ATOM 2356 3HG2 VAL Q 168 -9.421 -15.344 3.637 1.00 0.00 +ATOM 2357 C VAL Q 168 -7.221 -16.134 6.267 1.00 0.00 +ATOM 2358 O VAL Q 168 -6.671 -16.204 7.368 1.00 0.00 +ATOM 2359 N VAL Q 169 -7.221 -15.064 5.458 1.00 0.00 +ATOM 2360 H VAL Q 169 -7.691 -15.224 4.587 1.00 0.00 +ATOM 2361 CA VAL Q 169 -6.521 -13.834 5.757 1.00 0.00 +ATOM 2362 HA VAL Q 169 -6.621 -13.754 6.847 1.00 0.00 +ATOM 2363 CB VAL Q 169 -5.051 -13.854 5.337 1.00 0.00 +ATOM 2364 HB VAL Q 169 -4.601 -14.634 5.958 1.00 0.00 +ATOM 2365 CG1 VAL Q 169 -4.891 -14.314 3.897 1.00 0.00 +ATOM 2366 1HG1 VAL Q 169 -5.491 -13.784 3.157 1.00 0.00 +ATOM 2367 2HG1 VAL Q 169 -3.851 -14.234 3.567 1.00 0.00 +ATOM 2368 3HG1 VAL Q 169 -5.231 -15.354 3.878 1.00 0.00 +ATOM 2369 CG2 VAL Q 169 -4.341 -12.524 5.557 1.00 0.00 +ATOM 2370 1HG2 VAL Q 169 -4.721 -11.784 4.858 1.00 0.00 +ATOM 2371 2HG2 VAL Q 169 -4.541 -12.144 6.557 1.00 0.00 +ATOM 2372 3HG2 VAL Q 169 -3.291 -12.574 5.267 1.00 0.00 +ATOM 2373 C VAL Q 169 -7.331 -12.704 5.167 1.00 0.00 +ATOM 2374 O VAL Q 169 -8.111 -12.894 4.237 1.00 0.00 +ATOM 2375 N NME Q 170 -7.321 -11.494 5.757 1.00 0.00 +ATOM 2376 H NME Q 170 -6.571 -11.254 6.387 1.00 0.00 +ATOM 2377 CH3 NME Q 170 -8.011 -10.334 5.247 1.00 0.00 +ATOM 2378 1HH3 NME Q 170 -9.031 -10.674 5.038 1.00 0.00 +ATOM 2379 2HH3 NME Q 170 -8.081 -9.644 6.097 1.00 0.00 +ATOM 2380 3HH3 NME Q 170 -7.491 -9.934 4.387 1.00 0.00 +ATOM 2381 1HH3 ACE X 171 17.823 -12.804 10.028 1.00 0.00 +ATOM 2382 CH3 ACE X 171 18.203 -13.634 10.618 1.00 0.00 +ATOM 2383 2HH3 ACE X 171 17.673 -13.754 11.567 1.00 0.00 +ATOM 2384 3HH3 ACE X 171 19.253 -13.434 10.847 1.00 0.00 +ATOM 2385 C ACE X 171 18.153 -14.964 9.878 1.00 0.00 +ATOM 2386 O ACE X 171 17.633 -15.134 8.788 1.00 0.00 +ATOM 2387 N VAL X 172 18.523 -16.044 10.587 1.00 0.00 +ATOM 2388 H VAL X 172 18.853 -15.934 11.538 1.00 0.00 +ATOM 2389 CA VAL X 172 18.503 -17.414 10.128 1.00 0.00 +ATOM 2390 HA VAL X 172 19.183 -17.524 9.288 1.00 0.00 +ATOM 2391 CB VAL X 172 18.853 -18.394 11.247 1.00 0.00 +ATOM 2392 HB VAL X 172 18.813 -19.384 10.807 1.00 0.00 +ATOM 2393 CG1 VAL X 172 20.253 -18.204 11.817 1.00 0.00 +ATOM 2394 1HG1 VAL X 172 21.003 -18.254 11.028 1.00 0.00 +ATOM 2395 2HG1 VAL X 172 20.333 -17.224 12.297 1.00 0.00 +ATOM 2396 3HG1 VAL X 172 20.493 -18.904 12.617 1.00 0.00 +ATOM 2397 CG2 VAL X 172 17.823 -18.354 12.367 1.00 0.00 +ATOM 2398 1HG2 VAL X 172 18.153 -19.024 13.168 1.00 0.00 +ATOM 2399 2HG2 VAL X 172 17.603 -17.334 12.707 1.00 0.00 +ATOM 2400 3HG2 VAL X 172 16.873 -18.654 11.927 1.00 0.00 +ATOM 2401 C VAL X 172 17.123 -17.784 9.577 1.00 0.00 +ATOM 2402 O VAL X 172 17.243 -18.644 8.708 1.00 0.00 +ATOM 2403 N VAL X 173 16.023 -17.124 9.927 1.00 0.00 +ATOM 2404 H VAL X 173 16.003 -16.364 10.597 1.00 0.00 +ATOM 2405 CA VAL X 173 14.733 -17.544 9.427 1.00 0.00 +ATOM 2406 HA VAL X 173 14.753 -18.614 9.198 1.00 0.00 +ATOM 2407 CB VAL X 173 13.613 -17.394 10.448 1.00 0.00 +ATOM 2408 HB VAL X 173 12.683 -17.234 9.887 1.00 0.00 +ATOM 2409 CG1 VAL X 173 13.373 -18.614 11.327 1.00 0.00 +ATOM 2410 1HG1 VAL X 173 12.813 -19.314 10.727 1.00 0.00 +ATOM 2411 2HG1 VAL X 173 14.293 -19.014 11.747 1.00 0.00 +ATOM 2412 3HG1 VAL X 173 12.733 -18.214 12.117 1.00 0.00 +ATOM 2413 CG2 VAL X 173 13.783 -16.134 11.288 1.00 0.00 +ATOM 2414 1HG2 VAL X 173 13.003 -15.854 11.997 1.00 0.00 +ATOM 2415 2HG2 VAL X 173 14.753 -16.064 11.798 1.00 0.00 +ATOM 2416 3HG2 VAL X 173 13.703 -15.274 10.628 1.00 0.00 +ATOM 2417 C VAL X 173 14.223 -16.814 8.188 1.00 0.00 +ATOM 2418 O VAL X 173 13.203 -17.234 7.657 1.00 0.00 +ATOM 2419 N VAL X 174 14.843 -15.704 7.767 1.00 0.00 +ATOM 2420 H VAL X 174 15.493 -15.214 8.368 1.00 0.00 +ATOM 2421 CA VAL X 174 14.463 -14.944 6.597 1.00 0.00 +ATOM 2422 HA VAL X 174 13.533 -15.254 6.118 1.00 0.00 +ATOM 2423 CB VAL X 174 14.333 -13.464 6.948 1.00 0.00 +ATOM 2424 HB VAL X 174 14.173 -12.934 6.007 1.00 0.00 +ATOM 2425 CG1 VAL X 174 13.213 -13.144 7.938 1.00 0.00 +ATOM 2426 1HG1 VAL X 174 12.373 -13.764 7.628 1.00 0.00 +ATOM 2427 2HG1 VAL X 174 13.483 -13.374 8.968 1.00 0.00 +ATOM 2428 3HG1 VAL X 174 13.033 -12.074 7.907 1.00 0.00 +ATOM 2429 CG2 VAL X 174 15.563 -12.834 7.597 1.00 0.00 +ATOM 2430 1HG2 VAL X 174 15.323 -11.774 7.718 1.00 0.00 +ATOM 2431 2HG2 VAL X 174 15.923 -13.274 8.528 1.00 0.00 +ATOM 2432 3HG2 VAL X 174 16.363 -12.794 6.868 1.00 0.00 +ATOM 2433 C VAL X 174 15.453 -15.044 5.448 1.00 0.00 +ATOM 2434 O VAL X 174 14.963 -15.014 4.327 1.00 0.00 +ATOM 2435 N VAL X 175 16.773 -15.154 5.628 1.00 0.00 +ATOM 2436 H VAL X 175 17.123 -15.064 6.567 1.00 0.00 +ATOM 2437 CA VAL X 175 17.653 -15.334 4.487 1.00 0.00 +ATOM 2438 HA VAL X 175 17.453 -14.544 3.767 1.00 0.00 +ATOM 2439 CB VAL X 175 19.123 -15.444 4.868 1.00 0.00 +ATOM 2440 HB VAL X 175 19.623 -15.824 3.968 1.00 0.00 +ATOM 2441 CG1 VAL X 175 19.593 -14.074 5.358 1.00 0.00 +ATOM 2442 1HG1 VAL X 175 18.983 -13.574 6.097 1.00 0.00 +ATOM 2443 2HG1 VAL X 175 20.533 -14.264 5.868 1.00 0.00 +ATOM 2444 3HG1 VAL X 175 19.553 -13.334 4.557 1.00 0.00 +ATOM 2445 CG2 VAL X 175 19.353 -16.514 5.927 1.00 0.00 +ATOM 2446 1HG2 VAL X 175 19.003 -16.114 6.887 1.00 0.00 +ATOM 2447 2HG2 VAL X 175 18.813 -17.444 5.718 1.00 0.00 +ATOM 2448 3HG2 VAL X 175 20.363 -16.894 5.847 1.00 0.00 +ATOM 2449 C VAL X 175 17.233 -16.604 3.767 1.00 0.00 +ATOM 2450 O VAL X 175 17.623 -16.704 2.597 1.00 0.00 +ATOM 2451 N VAL X 176 16.553 -17.614 4.307 1.00 0.00 +ATOM 2452 H VAL X 176 16.223 -17.484 5.257 1.00 0.00 +ATOM 2453 CA VAL X 176 16.083 -18.824 3.667 1.00 0.00 +ATOM 2454 HA VAL X 176 16.903 -19.544 3.657 1.00 0.00 +ATOM 2455 CB VAL X 176 15.073 -19.494 4.587 1.00 0.00 +ATOM 2456 HB VAL X 176 14.833 -20.444 4.108 1.00 0.00 +ATOM 2457 CG1 VAL X 176 15.533 -19.824 6.007 1.00 0.00 +ATOM 2458 1HG1 VAL X 176 15.563 -18.944 6.647 1.00 0.00 +ATOM 2459 2HG1 VAL X 176 14.703 -20.344 6.487 1.00 0.00 +ATOM 2460 3HG1 VAL X 176 16.393 -20.494 5.987 1.00 0.00 +ATOM 2461 CG2 VAL X 176 13.733 -18.774 4.677 1.00 0.00 +ATOM 2462 1HG2 VAL X 176 13.123 -18.914 3.778 1.00 0.00 +ATOM 2463 2HG2 VAL X 176 13.183 -19.114 5.557 1.00 0.00 +ATOM 2464 3HG2 VAL X 176 13.933 -17.704 4.788 1.00 0.00 +ATOM 2465 C VAL X 176 15.493 -18.804 2.267 1.00 0.00 +ATOM 2466 O VAL X 176 15.503 -19.854 1.628 1.00 0.00 +ATOM 2467 N VAL X 177 15.073 -17.634 1.778 1.00 0.00 +ATOM 2468 H VAL X 177 15.103 -16.874 2.438 1.00 0.00 +ATOM 2469 CA VAL X 177 14.623 -17.424 0.417 1.00 0.00 +ATOM 2470 HA VAL X 177 13.843 -18.154 0.188 1.00 0.00 +ATOM 2471 CB VAL X 177 14.073 -16.014 0.227 1.00 0.00 +ATOM 2472 HB VAL X 177 13.893 -15.904 -0.843 1.00 0.00 +ATOM 2473 CG1 VAL X 177 12.753 -15.944 0.997 1.00 0.00 +ATOM 2474 1HG1 VAL X 177 12.073 -16.744 0.688 1.00 0.00 +ATOM 2475 2HG1 VAL X 177 12.853 -16.034 2.077 1.00 0.00 +ATOM 2476 3HG1 VAL X 177 12.343 -14.944 0.878 1.00 0.00 +ATOM 2477 CG2 VAL X 177 15.073 -14.944 0.667 1.00 0.00 +ATOM 2478 1HG2 VAL X 177 14.723 -13.934 0.468 1.00 0.00 +ATOM 2479 2HG2 VAL X 177 15.263 -14.964 1.737 1.00 0.00 +ATOM 2480 3HG2 VAL X 177 15.983 -15.064 0.077 1.00 0.00 +ATOM 2481 C VAL X 177 15.763 -17.584 -0.573 1.00 0.00 +ATOM 2482 O VAL X 177 15.473 -18.134 -1.632 1.00 0.00 +ATOM 2483 N VAL X 178 16.993 -17.324 -0.132 1.00 0.00 +ATOM 2484 H VAL X 178 17.093 -17.184 0.868 1.00 0.00 +ATOM 2485 CA VAL X 178 18.183 -17.334 -0.962 1.00 0.00 +ATOM 2486 HA VAL X 178 17.773 -17.584 -1.943 1.00 0.00 +ATOM 2487 CB VAL X 178 18.883 -15.984 -1.093 1.00 0.00 +ATOM 2488 HB VAL X 178 19.843 -16.144 -1.583 1.00 0.00 +ATOM 2489 CG1 VAL X 178 18.183 -14.984 -2.013 1.00 0.00 +ATOM 2490 1HG1 VAL X 178 18.713 -14.134 -2.443 1.00 0.00 +ATOM 2491 2HG1 VAL X 178 17.773 -15.504 -2.872 1.00 0.00 +ATOM 2492 3HG1 VAL X 178 17.363 -14.444 -1.523 1.00 0.00 +ATOM 2493 CG2 VAL X 178 19.023 -15.244 0.237 1.00 0.00 +ATOM 2494 1HG2 VAL X 178 19.513 -15.994 0.858 1.00 0.00 +ATOM 2495 2HG2 VAL X 178 19.723 -14.444 -0.023 1.00 0.00 +ATOM 2496 3HG2 VAL X 178 18.113 -14.894 0.708 1.00 0.00 +ATOM 2497 C VAL X 178 19.043 -18.514 -0.532 1.00 0.00 +ATOM 2498 O VAL X 178 20.073 -18.704 -1.163 1.00 0.00 +ATOM 2499 N VAL X 179 18.623 -19.374 0.397 1.00 0.00 +ATOM 2500 H VAL X 179 17.683 -19.224 0.747 1.00 0.00 +ATOM 2501 CA VAL X 179 19.403 -20.454 0.977 1.00 0.00 +ATOM 2502 HA VAL X 179 20.103 -20.774 0.208 1.00 0.00 +ATOM 2503 CB VAL X 179 20.253 -20.144 2.208 1.00 0.00 +ATOM 2504 HB VAL X 179 20.853 -21.024 2.458 1.00 0.00 +ATOM 2505 CG1 VAL X 179 21.313 -19.094 1.887 1.00 0.00 +ATOM 2506 1HG1 VAL X 179 20.993 -18.074 1.657 1.00 0.00 +ATOM 2507 2HG1 VAL X 179 21.883 -18.984 2.807 1.00 0.00 +ATOM 2508 3HG1 VAL X 179 22.093 -19.504 1.247 1.00 0.00 +ATOM 2509 CG2 VAL X 179 19.513 -19.744 3.477 1.00 0.00 +ATOM 2510 1HG2 VAL X 179 20.283 -19.614 4.227 1.00 0.00 +ATOM 2511 2HG2 VAL X 179 19.013 -18.794 3.288 1.00 0.00 +ATOM 2512 3HG2 VAL X 179 18.903 -20.624 3.718 1.00 0.00 +ATOM 2513 C VAL X 179 18.703 -21.784 1.247 1.00 0.00 +ATOM 2514 O VAL X 179 19.473 -22.714 1.448 1.00 0.00 +ATOM 2515 N NME X 180 17.383 -21.864 1.118 1.00 0.00 +ATOM 2516 H NME X 180 16.853 -21.004 1.028 1.00 0.00 +ATOM 2517 CH3 NME X 180 16.713 -23.154 1.028 1.00 0.00 +ATOM 2518 1HH3 NME X 180 15.653 -22.894 1.108 1.00 0.00 +ATOM 2519 2HH3 NME X 180 16.883 -23.704 0.108 1.00 0.00 +ATOM 2520 3HH3 NME X 180 16.993 -23.864 1.798 1.00 0.00 +END diff --git a/regtest/secondarystructure/rt-coverage-antibetarmsd/amyloid.xyz b/regtest/secondarystructure/rt-coverage-antibetarmsd/amyloid.xyz new file mode 100644 index 0000000000..79ed8d0d0e --- /dev/null +++ b/regtest/secondarystructure/rt-coverage-antibetarmsd/amyloid.xyz @@ -0,0 +1,15132 @@ +2520 + 6.1994 6.2567 6.2535 +1HH3 1.6003 2.5983 2.3337 +CH3 1.6553 2.6393 2.4177 +2HH3 1.7623 2.6493 2.3977 +3HH3 1.6523 2.5743 2.5058 +C 1.5903 2.7713 2.4527 +O 1.5973 2.8703 2.3808 +N 1.5243 2.7713 2.5698 +H 1.5443 2.6903 2.6267 +CA 1.4643 2.8863 2.6337 +HA 1.3793 2.9203 2.5747 +CB 1.4173 2.8513 2.7747 +HB 1.3653 2.9433 2.8008 +CG1 1.3093 2.7433 2.7657 +1HG1 1.2613 2.7453 2.8637 +2HG1 1.2513 2.7523 2.6747 +3HG1 1.3643 2.6483 2.7648 +CG2 1.5233 2.8033 2.8727 +1HG2 1.4863 2.8083 2.9758 +2HG2 1.5443 2.6983 2.8517 +3HG2 1.6073 2.8713 2.8637 +C 1.5543 3.0093 2.6387 +O 1.5003 3.1183 2.6567 +N 1.6873 3.0113 2.6227 +H 1.7313 2.9213 2.6087 +CA 1.7713 3.1253 2.5918 +HA 1.7363 3.1933 2.6698 +CB 1.9163 3.0973 2.6277 +HB 1.9843 3.1813 2.6177 +CG1 1.9323 3.0663 2.7767 +1HG1 1.8663 3.1333 2.8317 +2HG1 1.9173 2.9613 2.7988 +3HG1 2.0303 3.0943 2.8148 +CG2 1.9713 2.9923 2.5317 +1HG2 2.0803 2.9873 2.5358 +2HG2 1.9293 2.8963 2.5608 +3HG2 1.9273 3.0053 2.4337 +C 1.7633 3.1823 2.4508 +O 1.8233 3.2813 2.4117 +N 1.6883 3.1243 2.3567 +H 1.6443 3.0353 2.3777 +CA 1.6663 3.1733 2.2218 +HA 1.6773 3.2813 2.2267 +CB 1.7753 3.1173 2.1297 +HB 1.8633 3.1593 2.1777 +CG1 1.7733 2.9653 2.1337 +1HG1 1.6873 2.9303 2.0767 +2HG1 1.8523 2.9203 2.0738 +3HG1 1.7763 2.9133 2.2297 +CG2 1.7703 3.1733 1.9878 +1HG2 1.8313 3.1133 1.9198 +2HG2 1.6653 3.1723 1.9587 +3HG2 1.7943 3.2793 1.9817 +C 1.5233 3.1463 2.1767 +O 1.4613 3.2453 2.1378 +N 1.4663 3.0283 2.1997 +H 1.5133 2.9523 2.2468 +CA 1.3333 2.9883 2.1558 +HA 1.2753 3.0763 2.1267 +CB 1.3363 2.9123 2.0238 +HB 1.2373 2.9063 1.9777 +CG1 1.4233 2.9883 1.9247 +1HG1 1.3853 3.0903 1.9187 +2HG1 1.5263 2.9933 1.9587 +3HG1 1.4153 2.9463 1.8238 +CG2 1.3963 2.7723 2.0218 +1HG2 1.3883 2.7363 1.9187 +2HG2 1.5013 2.7693 2.0497 +3HG2 1.3333 2.7083 2.0837 +C 1.2493 2.9073 2.2527 +O 1.2983 2.8613 2.3558 +N 1.1193 2.8933 2.2238 +H 1.0793 2.9363 2.1418 +CA 1.0363 2.8253 2.3218 +HA 1.0963 2.7483 2.3707 +CB 0.9673 2.9033 2.4328 +HB 0.9223 2.8323 2.5027 +CG1 1.0723 2.9743 2.5177 +1HG1 1.0193 3.0333 2.5927 +2HG1 1.1513 2.9093 2.5547 +3HG1 1.1243 3.0523 2.4628 +CG2 0.8523 2.9943 2.3898 +1HG2 0.7853 3.0063 2.4758 +2HG2 0.8863 3.0953 2.3687 +3HG2 0.7923 2.9493 2.3108 +C 0.9313 2.7453 2.2448 +O 0.8573 2.6683 2.3058 +N 0.9123 2.7473 2.1128 +H 0.9683 2.8093 2.0558 +CA 0.8053 2.6783 2.0427 +HA 0.7943 2.5753 2.0767 +CB 0.6713 2.7473 2.0637 +HB 0.6423 2.7493 2.1698 +CG1 0.6523 2.8943 2.0258 +1HG1 0.6723 2.9103 1.9198 +2HG1 0.5503 2.9193 2.0538 +3HG1 0.7033 2.9583 2.0977 +CG2 0.5523 2.6673 2.0117 +1HG2 0.5393 2.6763 1.9047 +2HG2 0.5663 2.5643 2.0437 +3HG2 0.4583 2.7063 2.0517 +C 0.8463 2.6773 1.8968 +O 0.9073 2.7743 1.8517 +N 0.8173 2.5713 1.8218 +H 0.7873 2.4893 1.8747 +CA 0.8273 2.5493 1.6788 +HA 0.8243 2.6493 1.6358 +CB 0.9613 2.4833 1.6437 +HB 1.0483 2.5383 1.6788 +CG1 0.9693 2.3493 1.7168 +1HG1 0.9713 2.2723 1.6387 +2HG1 1.0603 2.3453 1.7767 +3HG1 0.8853 2.3203 1.7797 +CG2 0.9913 2.4783 1.4948 +1HG2 1.0943 2.4423 1.4927 +2HG2 0.9283 2.4103 1.4378 +3HG2 0.9853 2.5803 1.4567 +C 0.7173 2.4773 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0.9498 -0.9436 +C -1.0302 0.8908 -1.2236 +O -1.1162 0.9568 -1.2826 +N -0.9052 0.9368 -1.2216 +H -0.8362 0.8678 -1.1936 +CH3 -0.8552 1.0618 -1.2746 +1HH3 -0.9202 1.0998 -1.3536 +2HH3 -0.8642 1.1418 -1.2006 +3HH3 -0.7492 1.0518 -1.2986 +1HH3 0.6378 -1.0282 2.9644 +CH3 0.5498 -1.0222 2.9004 +2HH3 0.5148 -0.9202 2.9134 +3HH3 0.4638 -1.0842 2.9274 +C 0.5948 -1.0412 2.7564 +O 0.7148 -1.0212 2.7364 +N 0.5028 -1.0692 2.6644 +H 0.4038 -1.0572 2.6814 +CA 0.5238 -1.1072 2.5264 +HA 0.6298 -1.1322 2.5274 +CB 0.4418 -1.2322 2.4934 +HB 0.4368 -1.2472 2.3854 +CG1 0.4978 -1.3602 2.5544 +1HG1 0.5948 -1.3752 2.5074 +2HG1 0.5138 -1.3472 2.6614 +3HG1 0.4378 -1.4492 2.5364 +CG2 0.2988 -1.2122 2.5424 +1HG2 0.2598 -1.1182 2.5024 +2HG2 0.2388 -1.3002 2.5204 +3HG2 0.3128 -1.2102 2.6504 +C 0.5018 -1.0012 2.4194 +O 0.5028 -1.0302 2.3004 +N 0.4788 -0.8762 2.4584 +H 0.4568 -0.8602 2.5564 +CA 0.4808 -0.7602 2.3714 +HA 0.5418 -0.7812 2.2834 +CB 0.3398 -0.7112 2.3384 +HB 0.3488 -0.6262 2.2704 +CG1 0.2598 -0.8142 2.2604 +1HG1 0.3228 -0.8662 2.1874 +2HG1 0.2308 -0.8972 2.3244 +3HG1 0.1778 -0.7772 2.1994 +CG2 0.2718 -0.6602 2.4654 +1HG2 0.1658 -0.6522 2.4404 +2HG2 0.2858 -0.7362 2.5424 +3HG2 0.3208 -0.5702 2.5034 +C 0.5698 -0.6522 2.4324 +O 0.5638 -0.6292 2.5524 +N 0.6498 -0.5842 2.3494 +H 0.6498 -0.6162 2.2534 +CA 0.7418 -0.4832 2.3974 +HA 0.7078 -0.4412 2.4914 +CB 0.8708 -0.5562 2.4324 +HB 0.8578 -0.6422 2.4974 +CG1 0.9598 -0.6082 2.3194 +1HG1 1.0598 -0.6402 2.3504 +2HG1 0.9068 -0.6932 2.2764 +3HG1 0.9598 -0.5352 2.2384 +CG2 0.9638 -0.4622 2.5094 +1HG2 0.9098 -0.4332 2.5994 +2HG2 1.0498 -0.5082 2.5574 +3HG2 0.9958 -0.3742 2.4544 +C 0.7668 -0.3672 2.3014 +O 0.7548 -0.3802 2.1804 +N 0.7978 -0.2462 2.3494 +H 0.8228 -0.2232 2.4444 +CA 0.8318 -0.1342 2.2644 +HA 0.8548 -0.1632 2.1624 +CB 0.7158 -0.0362 2.2544 +HB 0.7038 0.0188 2.3474 +CG1 0.7348 0.0738 2.1494 +1HG1 0.7548 0.0348 2.0504 +2HG1 0.6528 0.1428 2.1334 +3HG1 0.8208 0.1308 2.1854 +CG2 0.5808 -0.0922 2.2084 +1HG2 0.5028 -0.0152 2.2114 +2HG2 0.5758 -0.1332 2.1084 +3HG2 0.5468 -0.1642 2.2824 +C 0.9548 -0.0702 2.3284 +O 0.9708 -0.0712 2.4504 +N 1.0378 -0.0082 2.2454 +H 1.0238 -0.0082 2.1454 +CA 1.1668 0.0528 2.2734 +HA 1.1878 0.0738 2.3784 +CB 1.2778 -0.0452 2.2364 +HB 1.3778 -0.0182 2.2694 +CG1 1.2678 -0.1782 2.3104 +1HG1 1.2608 -0.1622 2.4184 +2HG1 1.1778 -0.2332 2.2824 +3HG1 1.3548 -0.2422 2.2984 +CG2 1.2778 -0.0662 2.0854 +1HG2 1.1778 -0.0882 2.0474 +2HG2 1.3158 0.0138 2.0224 +3HG2 1.3548 -0.1412 2.0674 +C 1.1788 0.1838 2.1974 +O 1.1048 0.2098 2.1024 +N 1.2658 0.2728 2.2454 +H 1.3138 0.2478 2.3304 +CA 1.3108 0.3888 2.1694 +HA 1.2588 0.3858 2.0744 +CB 1.2768 0.5198 2.2394 +HB 1.3378 0.5998 2.1984 +CG1 1.1298 0.5578 2.2254 +1HG1 1.1108 0.6508 2.2794 +2HG1 1.1158 0.5698 2.1174 +3HG1 1.0738 0.4738 2.2644 +CG2 1.3088 0.5208 2.3894 +1HG2 1.4098 0.4818 2.3944 +2HG2 1.2908 0.6198 2.4314 +3HG2 1.2408 0.4528 2.4404 +C 1.4608 0.3778 2.1424 +O 1.5378 0.3138 2.2134 +N 1.5008 0.4648 2.0504 +H 1.4308 0.5238 2.0074 +CA 1.6378 0.4798 2.0044 +HA 1.7038 0.4278 2.0734 +CB 1.6568 0.4088 1.8714 +HB 1.7598 0.4228 1.8384 +CG1 1.6338 0.2578 1.8694 +1HG1 1.5338 0.2388 1.9084 +2HG1 1.6498 0.2218 1.7684 +3HG1 1.7028 0.1998 1.9314 +CG2 1.5718 0.4718 1.7604 +1HG2 1.4798 0.4138 1.7614 +2HG2 1.5528 0.5788 1.7734 +3HG2 1.6148 0.4578 1.6614 +C 1.6928 0.6218 2.0094 +O 1.8148 0.6278 2.0214 +N 1.6108 0.7258 1.9954 +H 1.5158 0.7128 1.9654 +CA 1.6528 0.8608 2.0274 +HA 1.7588 0.8578 2.0504 +CB 1.6458 0.9428 1.8984 +HB 1.6808 1.0448 1.9154 +CG1 1.7428 0.8838 1.7954 +1HG1 1.8318 0.8548 1.8504 +2HG1 1.7108 0.7948 1.7424 +3HG1 1.7858 0.9608 1.7324 +CG2 1.5078 0.9588 1.8354 +1HG2 1.4648 0.8628 1.8044 +2HG2 1.4368 1.0128 1.8984 +3HG2 1.5108 1.0128 1.7414 +C 1.5708 0.9368 2.1304 +O 1.5628 1.0598 2.1284 +N 1.5068 0.8548 2.2134 +H 1.5238 0.7558 2.2104 +CH3 1.4048 0.8908 2.3104 +1HH3 1.3868 0.8148 2.3864 +2HH3 1.4188 0.9838 2.3644 +3HH3 1.3068 0.8938 2.2624 diff --git a/regtest/secondarystructure/rt-coverage-antibetarmsd/colvar.reference b/regtest/secondarystructure/rt-coverage-antibetarmsd/colvar.reference new file mode 100644 index 0000000000..2e093c7e02 --- /dev/null +++ b/regtest/secondarystructure/rt-coverage-antibetarmsd/colvar.reference @@ -0,0 +1,7 @@ +#! FIELDS time b.lessthan brf.lessthan br.lessthan p.lessthan prf.lessthan pr.lessthan sum + 0.000000 0.0607 0.1654 0.1654 0.2681 0.1425 0.1425 0.3287 + 0.050000 0.0000 42.5600 42.5600 14.6579 4.1424 4.1424 14.6579 + 0.100000 0.0188 34.0262 34.0262 13.0049 3.2851 3.2851 13.0238 + 0.150000 0.0000 47.7586 47.7586 16.2009 4.3921 4.3921 16.2009 + 0.200000 0.0000 2.2688 2.2688 57.6662 45.9216 45.9216 57.6662 + 0.250000 0.0000 4.8853 4.8853 100.7083 83.4592 83.4592 100.7083 diff --git a/regtest/secondarystructure/rt-coverage-antibetarmsd/config b/regtest/secondarystructure/rt-coverage-antibetarmsd/config new file mode 100644 index 0000000000..e8f9bb729d --- /dev/null +++ b/regtest/secondarystructure/rt-coverage-antibetarmsd/config @@ -0,0 +1,2 @@ +type=driver +arg="--plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz amyloid.xyz --dump-forces forces --dump-forces-fmt=%10.6f" diff --git a/regtest/secondarystructure/rt-coverage-antibetarmsd/forces.reference b/regtest/secondarystructure/rt-coverage-antibetarmsd/forces.reference new file mode 100644 index 0000000000..cbb160398c --- /dev/null +++ b/regtest/secondarystructure/rt-coverage-antibetarmsd/forces.reference @@ -0,0 +1,7 @@ +#! FIELDS time b.lessthan brf.lessthan br.lessthan p.lessthan prf.lessthan pr.lessthan sum @8.bias @8.force2 + 0.000000 -0.3893763023 -0.1653910914 -0.1653910914 -0.5967893540 -0.1425260828 -0.1425260828 -0.3287218854 0.0000000000 0.0000000000 + 0.050000 -14.6578542139 -42.5600014141 -42.5600014141 -29.3157084279 -4.1424316083 -4.1424316083 -14.6578542139 0.0000000000 0.0000000000 + 0.100000 -13.0426114706 -34.0261914601 -34.0261914601 -26.0287209912 -3.2850812434 -3.2850812434 -13.0237774873 0.0000000000 0.0000000000 + 0.150000 -16.2009073956 -47.7585572573 -47.7585572573 -32.4018147912 -4.3920871588 -4.3920871588 -16.2009073956 0.0000000000 0.0000000000 + 0.200000 -57.6661791916 -2.2688460225 -2.2688460225 -115.3323583831 -45.9215920978 -45.9215920978 -57.6661791916 0.0000000000 0.0000000000 + 0.250000 -100.7083276804 -4.8852734198 -4.8852734198 -201.4166553607 -83.4591661722 -83.4591661722 -100.7083276804 0.0000000000 0.0000000000 diff --git a/regtest/secondarystructure/rt-coverage-antibetarmsd/plumed.dat b/regtest/secondarystructure/rt-coverage-antibetarmsd/plumed.dat new file mode 100644 index 0000000000..4fc2b04fd5 --- /dev/null +++ b/regtest/secondarystructure/rt-coverage-antibetarmsd/plumed.dat @@ -0,0 +1,15 @@ +MOLINFO STRUCTURE=amyloid.pdb +ANTIBETARMSD RESIDUES=all TYPE=DRMSD STRANDS_CUTOFF=1.0 LESS_THAN={RATIONAL R_0=0.1 NN=8 MM=12 NOSTRETCH} LABEL=b STYLE=intra +ANTIBETARMSD RESIDUES=all TYPE=OPTIMAL-FAST STRANDS_CUTOFF=1.0 LESS_THAN={RATIONAL R_0=0.1 NN=8 MM=12 NOSTRETCH} LABEL=brf +ANTIBETARMSD RESIDUES=all TYPE=OPTIMAL STRANDS_CUTOFF=1.0 LESS_THAN={RATIONAL R_0=0.1 NN=8 MM=12 NOSTRETCH} LABEL=br +PARABETARMSD RESIDUES=all TYPE=DRMSD STRANDS_CUTOFF=1.0 LESS_THAN={RATIONAL R_0=0.1 NN=8 MM=12 NOSTRETCH} LABEL=p +PARABETARMSD RESIDUES=all TYPE=OPTIMAL-FAST STRANDS_CUTOFF=1.0 LESS_THAN={RATIONAL R_0=0.1 NN=8 MM=12 NOSTRETCH} LABEL=prf +PARABETARMSD RESIDUES=all TYPE=OPTIMAL STRANDS_CUTOFF=1.0 LESS_THAN={RATIONAL R_0=0.1 NN=8 MM=12 NOSTRETCH} LABEL=pr +COMBINE ARG=b.lessthan,p.lessthan PERIODIC=NO LABEL=sum + +RESTRAINT ARG=b.*,brf.*,br.*,p.*,prf.*,pr.*,sum KAPPA=1.,1.,1.,1,1,1,1 AT=0,0,0,0,0,0,0 SLOPE=0,0,0,0,0,0,0 + +DUMPFORCES ARG=* FILE=forces STRIDE=1 + +PRINT ARG=b.*,brf.*,br.*,p.*,prf.*,pr.*,sum STRIDE=1 FILE=colvar FMT=%8.4f + From 07129094504f4ce158ee84e8a3c16003f4cb83c0 Mon Sep 17 00:00:00 2001 From: Daniele Date: Wed, 23 Oct 2024 19:09:36 +0200 Subject: [PATCH 2/4] atoned a sin (#1146) --- src/tools/Pbc.h | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/src/tools/Pbc.h b/src/tools/Pbc.h index 29e3b3a86a..60aa04059c 100644 --- a/src/tools/Pbc.h +++ b/src/tools/Pbc.h @@ -27,6 +27,7 @@ #include "small_vector/small_vector.h" #include #include +#include namespace PLMD { @@ -43,7 +44,7 @@ class MemoryView { }; namespace helpers { -inline constexpr std::size_t dynamic_extent = -1; +inline constexpr std::size_t dynamic_extent = std::numeric_limits::max(); } //this more or less mocks c++23 mdspan without the fancy multi-indexed operator[] //the idea is to take an address that you know to be strided in a certain way and From 4a575f47cf800516a646473afd0704c5fe2f4fe4 Mon Sep 17 00:00:00 2001 From: mertcan <149396759+Mertcan-Puncist@users.noreply.github.com> Date: Sat, 2 Nov 2024 09:38:52 +0100 Subject: [PATCH 3/4] Improve coverage isdb (#1144) * improved coverage test result of isdb/metainference * adding new tests to cover new lines for isdb module * moved tests from other branch to this branch (correct procedure) * removed test that doesnt work * removed test that doesnt do anythink * removed test that no need * removed test that has no effect on test * Corrections were made to make the annecal fact give output. * Corrections were made to make the ovstride give output. * Corrections were made to make REGRES_ZERO give output. --------- Co-authored-by: = --- .../rt-Metainference-averaging/MISTATUSjmi | 2 + .../MISTATUSmij.reference | 2 + .../Makefile | 0 .../atom_forces.reference | 678 + .../isdb/rt-Metainference-averaging/config | 4 + .../force.new.reference | 811 + .../minew.reference | 7 + .../miorig.reference | 7 + .../rt-Metainference-averaging/peptide.pdb | 112 + .../rt-Metainference-averaging/plumed.dat | 55 + .../rt-Metainference-averaging/trajectory.xtc | Bin 0 -> 3112 bytes regtest/isdb/rt-caliber-negres-zero/Makefile | 1 + .../isdb/rt-caliber-negres-zero/Qaverages.dat | 501 + .../allforce.0.reference | 67134 ++++++++++++++++ regtest/isdb/rt-caliber-negres-zero/config | 3 + regtest/isdb/rt-caliber-negres-zero/first.pdb | 137 + .../isdb/rt-caliber-negres-zero/plumed.dat | 94 + .../isdb/rt-caliber-negres-zero/trajout.0.xtc | Bin 0 -> 302664 bytes .../isdb/rt-caliber-negres-zero/trajout.1.xtc | Bin 0 -> 302700 bytes .../isdb/rt-caliber-negres-zero/trajout.2.xtc | Bin 0 -> 301612 bytes .../isdb/rt-caliber-negres-zero/trajout.3.xtc | Bin 0 -> 302228 bytes .../1ubq_GMM_PLUMED.dat | 0 .../COLVAR.reference | 2 +- regtest/isdb/rt-coverage-EMMI-TEMP/Makefile | 1 + .../config | 2 +- .../deriva.reference | 412 +- .../index.ndx | 0 .../plumed.dat | 2 +- .../structure.pdb | 0 .../1ubq_GMM_PLUMED.dat | 10 + .../COLVAR.reference | 6 + .../rt-coverage-EMMI-anneal-fact/Makefile | 1 + .../isdb/rt-coverage-EMMI-anneal-fact/config | 3 + .../rt-coverage-EMMI-anneal-fact/index.ndx | 389 + .../rt-coverage-EMMI-anneal-fact/plumed.dat | 35 + .../structure.pdb | 6165 ++ .../1ubq_GMM_PLUMED.dat | 10 + .../COLVAR.reference | 5 + .../isdb/rt-coverage-EMMI-ovstride/Makefile | 1 + regtest/isdb/rt-coverage-EMMI-ovstride/config | 24 + .../isdb/rt-coverage-EMMI-ovstride/index.ndx | 389 + .../ovfile.dat-0.reference | 10 + .../ovfiles.txt.reference | 2 + .../isdb/rt-coverage-EMMI-ovstride/plumed.dat | 21 + .../rt-coverage-EMMI-ovstride/structure.pdb | 4932 ++ .../isdb/rt-jcoupling-string-type/MISTATUSjmi | 2 + .../MISTATUSmij.reference | 2 + .../isdb/rt-jcoupling-string-type/Makefile | 1 + .../atom_forces.reference | 678 + regtest/isdb/rt-jcoupling-string-type/config | 4 + .../force.new.reference | 811 + .../rt-jcoupling-string-type/minew.reference | 7 + .../rt-jcoupling-string-type/miorig.reference | 7 + .../isdb/rt-jcoupling-string-type/peptide.pdb | 112 + .../isdb/rt-jcoupling-string-type/plumed.dat | 54 + .../rt-jcoupling-string-type/trajectory.xtc | Bin 0 -> 3112 bytes .../COLVAR.reference | 13 + .../isdb/rt-metainference-likelihood/Makefile | 1 + .../ala12_trajectory.xyz | 1608 + .../isdb/rt-metainference-likelihood/config | 2 + .../deriv.reference | 325 + .../rt-metainference-likelihood/plumed.dat | 56 + .../rt-metainference-mc-chunksize/MISTATUSjmi | 2 + .../MISTATUSmij.reference | 2 + .../rt-metainference-mc-chunksize/Makefile | 1 + .../atom_forces.reference | 678 + .../isdb/rt-metainference-mc-chunksize/config | 4 + .../force.new.reference | 811 + .../minew.reference | 7 + .../miorig.reference | 7 + .../rt-metainference-mc-chunksize/peptide.pdb | 112 + .../rt-metainference-mc-chunksize/plumed.dat | 55 + .../trajectory.xtc | Bin 0 -> 3112 bytes .../MISTATUSjmi | 2 + .../MISTATUSmij.reference | 2 + .../Makefile | 1 + .../atom_forces.reference | 678 + .../config | 4 + .../force.new.reference | 811 + .../minew.reference | 7 + .../miorig.reference | 7 + .../peptide.pdb | 112 + .../plumed.dat | 55 + .../trajectory.xtc | Bin 0 -> 3112 bytes .../MISTATUSjmi | 2 + .../MISTATUSmij.reference | 2 + .../Makefile | 1 + .../atom_forces.reference | 678 + .../rt-metainference-optisigmamean-sem/config | 4 + .../force.new.reference | 811 + .../minew.reference | 7 + .../miorig.reference | 7 + .../peptide.pdb | 112 + .../plumed.dat | 55 + .../trajectory.xtc | Bin 0 -> 3112 bytes .../rt-metainference-regres-zero/MISTATUSjmi | 2 + .../MISTATUSmij.reference | 2 + .../rt-metainference-regres-zero/Makefile | 1 + .../atom_forces.reference | 678 + .../isdb/rt-metainference-regres-zero/config | 4 + .../force.new.reference | 811 + .../minew.reference | 7 + .../miorig.reference | 7 + .../rt-metainference-regres-zero/peptide.pdb | 112 + .../rt-metainference-regres-zero/plumed.dat | 55 + .../trajectory.xtc | Bin 0 -> 3112 bytes .../MISTATUSjmi | 2 + .../MISTATUSmij.reference | 2 + .../rt-metainferencebase-averaging/Makefile | 1 + .../atom_forces.reference | 678 + .../rt-metainferencebase-averaging/config | 4 + .../force.new.reference | 811 + .../minew.reference | 7 + .../miorig.reference | 7 + .../peptide.pdb | 112 + .../rt-metainferencebase-averaging/plumed.dat | 56 + .../trajectory.xtc | Bin 0 -> 3112 bytes .../COLVAR.reference | 13 + .../rt-metainferencebase-likelihood/Makefile | 1 + .../ala12_trajectory.xyz | 1608 + .../rt-metainferencebase-likelihood/config | 2 + .../deriv.reference | 325 + .../plumed.dat | 56 + .../MISTATUSjmi | 2 + .../MISTATUSmij.reference | 2 + .../rt-metainferencebase-regres-zero/Makefile | 1 + .../atom_forces.reference | 678 + .../rt-metainferencebase-regres-zero/config | 4 + .../miorig.reference | 7 + .../peptide.pdb | 112 + .../plumed.dat | 58 + .../trajectory.xtc | Bin 0 -> 3112 bytes .../rt-metainferencebase-sem-max/MISTATUSjmi | 2 + .../MISTATUSmij.reference | 2 + .../rt-metainferencebase-sem-max/Makefile | 1 + .../atom_forces.reference | 678 + .../isdb/rt-metainferencebase-sem-max/config | 4 + .../force.new.reference | 811 + .../minew.reference | 7 + .../miorig.reference | 7 + .../rt-metainferencebase-sem-max/peptide.pdb | 112 + .../rt-metainferencebase-sem-max/plumed.dat | 56 + .../trajectory.xtc | Bin 0 -> 3112 bytes 143 files changed, 98389 insertions(+), 209 deletions(-) create mode 100644 regtest/isdb/rt-Metainference-averaging/MISTATUSjmi create mode 100644 regtest/isdb/rt-Metainference-averaging/MISTATUSmij.reference rename regtest/isdb/{rt-emmi-gauss => rt-Metainference-averaging}/Makefile (100%) create mode 100644 regtest/isdb/rt-Metainference-averaging/atom_forces.reference create mode 100644 regtest/isdb/rt-Metainference-averaging/config create mode 100644 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a/regtest/isdb/rt-Metainference-averaging/config b/regtest/isdb/rt-Metainference-averaging/config new file mode 100644 index 0000000000..ecf9c90e84 --- /dev/null +++ b/regtest/isdb/rt-Metainference-averaging/config @@ -0,0 +1,4 @@ +plumed_needs="cregex" +type=driver +# this is to test a different name +arg="--plumed plumed.dat --trajectory-stride 2 --timestep 0.002 --mf_xtc trajectory.xtc --dump-forces atom_forces --dump-forces-fmt=%7.3f" diff --git a/regtest/isdb/rt-Metainference-averaging/force.new.reference b/regtest/isdb/rt-Metainference-averaging/force.new.reference new file mode 100644 index 0000000000..f92d50d51c --- /dev/null +++ b/regtest/isdb/rt-Metainference-averaging/force.new.reference @@ -0,0 +1,811 @@ +#! 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0.020000 107 -0.0022 + 0.020000 108 -0.0140 + 0.020000 109 -0.0545 + 0.020000 110 0.0120 + 0.020000 111 0.0140 + 0.020000 112 0.0545 + 0.020000 113 -0.0120 + 0.020000 114 0.0015 + 0.020000 115 -0.0003 + 0.020000 116 0.0101 + 0.020000 117 -0.0015 + 0.020000 118 0.0003 + 0.020000 119 -0.0101 + 0.020000 120 0.0085 + 0.020000 121 0.0506 + 0.020000 122 -0.0395 + 0.020000 123 -0.0085 + 0.020000 124 -0.0506 + 0.020000 125 0.0395 + 0.020000 126 -0.0358 + 0.020000 127 0.0089 + 0.020000 128 0.0241 + 0.020000 129 0.0089 + 0.020000 130 0.0242 + 0.020000 131 -0.0239 + 0.020000 132 0.0241 + 0.020000 133 -0.0239 + 0.020000 134 0.0116 diff --git a/regtest/isdb/rt-Metainference-averaging/minew.reference b/regtest/isdb/rt-Metainference-averaging/minew.reference new file mode 100644 index 0000000000..c84f23763f --- /dev/null +++ b/regtest/isdb/rt-Metainference-averaging/minew.reference @@ -0,0 +1,7 @@ +#! FIELDS time jmi.score jmi.acceptSigma jmi.sigmaMean jmi.sigma + 0.000000 80.0035 1.0000 10.0000 1.0000 + 0.004000 80.0370 1.0000 10.0000 1.0000 + 0.008000 80.0103 1.0000 10.0000 1.0000 + 0.012000 80.0047 1.0000 10.0000 1.0000 + 0.016000 80.0165 1.0000 10.0000 1.0000 + 0.020000 80.0767 1.0000 10.0000 1.0000 diff --git a/regtest/isdb/rt-Metainference-averaging/miorig.reference b/regtest/isdb/rt-Metainference-averaging/miorig.reference new file mode 100644 index 0000000000..1c6b520e07 --- /dev/null +++ b/regtest/isdb/rt-Metainference-averaging/miorig.reference @@ -0,0 +1,7 @@ +#! FIELDS time mij.bias mij.neff mij.acceptSigma mij.sigmaMean mij.sigma + 0.000000 80.0035 1.0000 1.0000 10.0000 1.0000 + 0.004000 80.0370 1.0000 1.0000 10.0000 1.0000 + 0.008000 80.0103 1.0000 1.0000 10.0000 1.0000 + 0.012000 80.0047 1.0000 1.0000 10.0000 1.0000 + 0.016000 80.0165 1.0000 1.0000 10.0000 1.0000 + 0.020000 80.0767 1.0000 1.0000 10.0000 1.0000 diff --git a/regtest/isdb/rt-Metainference-averaging/peptide.pdb b/regtest/isdb/rt-Metainference-averaging/peptide.pdb new file mode 100644 index 0000000000..441ab3ba78 --- /dev/null +++ b/regtest/isdb/rt-Metainference-averaging/peptide.pdb @@ -0,0 +1,112 @@ +ATOM 1 N GLU 1 -0.130 2.450 -0.110 1.00 0.00 +ATOM 2 H1 GLU 1 -0.830 2.960 0.400 1.00 0.00 +ATOM 3 H2 GLU 1 0.640 2.250 0.490 1.00 0.00 +ATOM 4 H3 GLU 1 0.180 3.000 -0.890 1.00 0.00 +ATOM 5 CA GLU 1 -0.700 1.210 -0.600 1.00 0.00 +ATOM 6 HA GLU 1 -1.470 1.450 -1.190 1.00 0.00 +ATOM 7 CB GLU 1 0.360 0.470 -1.360 1.00 0.00 +ATOM 8 HB1 GLU 1 0.280 -0.480 -1.060 1.00 0.00 +ATOM 9 HB2 GLU 1 1.230 0.850 -1.020 1.00 0.00 +ATOM 10 CG GLU 1 0.470 0.440 -2.890 1.00 0.00 +ATOM 11 HG1 GLU 1 0.510 1.380 -3.230 1.00 0.00 +ATOM 12 HG2 GLU 1 -0.330 -0.020 -3.260 1.00 0.00 +ATOM 13 CD GLU 1 1.690 -0.270 -3.390 1.00 0.00 +ATOM 14 OE1 GLU 1 2.820 0.140 -3.020 1.00 0.00 +ATOM 15 OE2 GLU 1 1.480 -1.280 -4.120 1.00 0.00 +ATOM 16 C GLU 1 -1.220 0.340 0.540 1.00 0.00 +ATOM 17 O GLU 1 -0.520 -0.530 1.050 1.00 0.00 +ATOM 18 N GLY 2 -2.430 0.560 0.960 1.00 0.00 +ATOM 19 H GLY 2 -2.970 1.280 0.530 1.00 0.00 +ATOM 20 CA GLY 2 -3.000 -0.220 2.060 1.00 0.00 +ATOM 21 HA1 GLY 2 -2.420 -0.100 2.870 1.00 0.00 +ATOM 22 HA2 GLY 2 -3.000 -1.180 1.790 1.00 0.00 +ATOM 23 C GLY 2 -4.420 0.220 2.360 1.00 0.00 +ATOM 24 O GLY 2 -4.960 1.130 1.730 1.00 0.00 +ATOM 25 N ALA 3 -5.050 -0.390 3.320 1.00 0.00 +ATOM 26 H ALA 3 -4.590 -1.130 3.820 1.00 0.00 +ATOM 27 CA ALA 3 -6.420 -0.030 3.670 1.00 0.00 +ATOM 28 HA ALA 3 -6.410 0.930 3.960 1.00 0.00 +ATOM 29 CB ALA 3 -7.300 -0.190 2.470 1.00 0.00 +ATOM 30 HB1 ALA 3 -8.240 0.060 2.710 1.00 0.00 +ATOM 31 HB2 ALA 3 -6.970 0.410 1.740 1.00 0.00 +ATOM 32 HB3 ALA 3 -7.270 -1.140 2.160 1.00 0.00 +ATOM 33 C ALA 3 -6.940 -0.890 4.810 1.00 0.00 +ATOM 34 O ALA 3 -6.240 -1.760 5.330 1.00 0.00 +ATOM 35 N ALA 4 -8.150 -0.670 5.230 1.00 0.00 +ATOM 36 H ALA 4 -8.700 0.040 4.800 1.00 0.00 +ATOM 37 CA ALA 4 -8.720 -1.460 6.330 1.00 0.00 +ATOM 38 HA ALA 4 -8.730 -2.410 6.040 1.00 0.00 +ATOM 39 CB ALA 4 -7.860 -1.300 7.550 1.00 0.00 +ATOM 40 HB1 ALA 4 -8.250 -1.830 8.300 1.00 0.00 +ATOM 41 HB2 ALA 4 -6.940 -1.620 7.350 1.00 0.00 +ATOM 42 HB3 ALA 4 -7.830 -0.330 7.810 1.00 0.00 +ATOM 43 C ALA 4 -10.140 -1.020 6.630 1.00 0.00 +ATOM 44 O ALA 4 -10.680 -0.110 6.000 1.00 0.00 +ATOM 45 N TRP 5 -10.770 -1.630 7.590 1.00 0.00 +ATOM 46 H TRP 5 -10.310 -2.360 8.090 1.00 0.00 +ATOM 47 CA TRP 5 -12.150 -1.270 7.940 1.00 0.00 +ATOM 48 HA TRP 5 -12.140 -0.310 8.230 1.00 0.00 +ATOM 49 CB TRP 5 -13.020 -1.440 6.740 1.00 0.00 +ATOM 50 HB1 TRP 5 -13.680 -2.160 6.960 1.00 0.00 +ATOM 51 HB2 TRP 5 -12.430 -1.760 6.000 1.00 0.00 +ATOM 52 CG TRP 5 -13.820 -0.330 6.170 1.00 0.00 +ATOM 53 CD1 TRP 5 -13.700 0.200 4.910 1.00 0.00 +ATOM 54 HD1 TRP 5 -13.070 -0.120 4.210 1.00 0.00 +ATOM 55 NE1 TRP 5 -14.580 1.240 4.750 1.00 0.00 +ATOM 56 HE1 TRP 5 -14.690 1.790 3.930 1.00 0.00 +ATOM 57 CE2 TRP 5 -15.290 1.390 5.940 1.00 0.00 +ATOM 58 CZ2 TRP 5 -16.300 2.260 6.300 1.00 0.00 +ATOM 59 HZ2 TRP 5 -16.650 2.930 5.640 1.00 0.00 +ATOM 60 CH2 TRP 5 -16.810 2.190 7.580 1.00 0.00 +ATOM 61 HH2 TRP 5 -17.530 2.820 7.860 1.00 0.00 +ATOM 62 CZ3 TRP 5 -16.330 1.230 8.490 1.00 0.00 +ATOM 63 HZ3 TRP 5 -16.720 1.190 9.410 1.00 0.00 +ATOM 64 CE3 TRP 5 -15.340 0.350 8.140 1.00 0.00 +ATOM 65 HE3 TRP 5 -15.010 -0.330 8.800 1.00 0.00 +ATOM 66 CD2 TRP 5 -14.820 0.420 6.850 1.00 0.00 +ATOM 67 C TRP 5 -12.660 -2.130 9.090 1.00 0.00 +ATOM 68 O TRP 5 -11.960 -2.990 9.610 1.00 0.00 +ATOM 69 N ALA 6 -13.870 -1.910 9.500 1.00 0.00 +ATOM 70 H ALA 6 -14.420 -1.200 9.060 1.00 0.00 +ATOM 71 CA ALA 6 -14.440 -2.690 10.600 1.00 0.00 +ATOM 72 HA ALA 6 -14.450 -3.650 10.320 1.00 0.00 +ATOM 73 CB ALA 6 -13.590 -2.520 11.820 1.00 0.00 +ATOM 74 HB1 ALA 6 -13.970 -3.050 12.580 1.00 0.00 +ATOM 75 HB2 ALA 6 -12.660 -2.850 11.620 1.00 0.00 +ATOM 76 HB3 ALA 6 -13.550 -1.560 12.070 1.00 0.00 +ATOM 77 C ALA 6 -15.870 -2.260 10.900 1.00 0.00 +ATOM 78 O ALA 6 -16.410 -1.360 10.260 1.00 0.00 +ATOM 79 N ALA 7 -16.500 -2.870 11.860 1.00 0.00 +ATOM 80 H ALA 7 -16.030 -3.590 12.370 1.00 0.00 +ATOM 81 CA ALA 7 -17.870 -2.510 12.210 1.00 0.00 +ATOM 82 HA ALA 7 -17.870 -1.550 12.490 1.00 0.00 +ATOM 83 CB ALA 7 -18.750 -2.690 11.010 1.00 0.00 +ATOM 84 HB1 ALA 7 -19.690 -2.450 11.240 1.00 0.00 +ATOM 85 HB2 ALA 7 -18.420 -2.100 10.270 1.00 0.00 +ATOM 86 HB3 ALA 7 -18.710 -3.640 10.710 1.00 0.00 +ATOM 87 C ALA 7 -18.380 -3.370 13.360 1.00 0.00 +ATOM 88 O ALA 7 -17.680 -4.230 13.880 1.00 0.00 +ATOM 89 N SER 8 -19.600 -3.150 13.770 1.00 0.00 +ATOM 90 H SER 8 -20.150 -2.450 13.330 1.00 0.00 +ATOM 91 CA SER 8 -20.170 -3.930 14.880 1.00 0.00 +ATOM 92 HA SER 8 -20.160 -4.890 14.600 1.00 0.00 +ATOM 93 CB SER 8 -19.310 -3.750 16.100 1.00 0.00 +ATOM 94 HB1 SER 8 -18.910 -2.830 16.060 1.00 0.00 +ATOM 95 HB2 SER 8 -18.580 -4.430 16.060 1.00 0.00 +ATOM 96 OG SER 8 -19.870 -3.860 17.400 1.00 0.00 +ATOM 97 HG SER 8 -19.150 -3.710 18.080 1.00 0.00 +ATOM 98 C SER 8 -21.590 -3.500 15.170 1.00 0.00 +ATOM 99 O SER 8 -22.140 -2.600 14.530 1.00 0.00 +ATOM 100 N SER 9 -22.220 -4.110 16.130 1.00 0.00 +ATOM 101 H SER 9 -21.750 -4.830 16.640 1.00 0.00 +ATOM 102 CA SER 9 -23.600 -3.750 16.480 1.00 0.00 +ATOM 103 HA SER 9 -23.600 -2.790 16.760 1.00 0.00 +ATOM 104 CB SER 9 -24.470 -3.940 15.270 1.00 0.00 +ATOM 105 HB1 SER 9 -24.090 -4.690 14.730 1.00 0.00 +ATOM 106 HB2 SER 9 -24.440 -3.100 14.740 1.00 0.00 +ATOM 107 OG SER 9 -25.850 -4.240 15.420 1.00 0.00 +ATOM 108 HG SER 9 -26.270 -4.330 14.510 1.00 0.00 +ATOM 109 C SER 9 -24.110 -4.600 17.630 1.00 0.00 +ATOM 110 OXT SER 9 -25.040 -4.470 17.970 1.00 0.00 +ATOM 111 O SER 9 -23.400 -5.460 18.160 1.00 0.00 +END diff --git a/regtest/isdb/rt-Metainference-averaging/plumed.dat b/regtest/isdb/rt-Metainference-averaging/plumed.dat new file mode 100644 index 0000000000..10a8f1d11a --- /dev/null +++ b/regtest/isdb/rt-Metainference-averaging/plumed.dat @@ -0,0 +1,55 @@ +MOLINFO MOLTYPE=protein STRUCTURE=peptide.pdb +WHOLEMOLECULES ENTITY0=1-111 + +# xxAAWAASS +JCOUPLING ... + NOPBC + TYPE=HAHN + ATOMS1=@psi-2 + ATOMS2=@psi-3 + ATOMS3=@psi-4 + ATOMS4=@psi-5 + ATOMS5=@psi-6 + ATOMS6=@psi-7 + ATOMS7=@psi-8 + LABEL=jhahn +... JCOUPLING + +METAINFERENCE ... +ARG=jhahn.* +PARAMETERS=6.5,1,2,3,2,2,2 +NOISETYPE=OUTLIERS +SIGMA_MEAN0=10 +DSIGMA=0 +LABEL=mij +TEMP=300 +AVERAGING=1 +... + +JCOUPLING ... + NOPBC + TYPE=HAHN + ATOMS1=@psi-2 COUPLING1=6.5 + ATOMS2=@psi-3 COUPLING2=1 + ATOMS3=@psi-4 COUPLING3=2 + ATOMS4=@psi-5 COUPLING4=3 + ATOMS5=@psi-6 COUPLING5=2 + ATOMS6=@psi-7 COUPLING6=2 + ATOMS7=@psi-8 COUPLING7=2 + LABEL=jmi + DOSCORE + NOISETYPE=OUTLIERS + SIGMA_MEAN0=10 + DSIGMA=0 + TEMP=300 + RESTART=YES +... JCOUPLING + +BIASVALUE ARG=jmi.score + +PRINT ARG=mij.* FILE=miorig STRIDE=1 FMT=%9.4lf +PRINT ARG=jmi.score,jmi.acceptSigma,jmi.sigmaMean,jmi.sigma FILE=minew STRIDE=1 FMT=%9.4lf + +DUMPDERIVATIVES ARG=jmi.score FILE=force.new STRIDE=1 FMT=%9.4lf + +ENDPLUMED diff --git a/regtest/isdb/rt-Metainference-averaging/trajectory.xtc b/regtest/isdb/rt-Metainference-averaging/trajectory.xtc new file mode 100644 index 0000000000000000000000000000000000000000..010cc959b21c585775fa5e35b806998deb0178aa GIT binary patch literal 3112 zcmYL~bzGBe7sm$#x$bj*=lbvW{hSK~qIw4cfjr48bwUsXFOX7lSrX9yiSu3w zQkL{Pk?H2Z&{H+=>N>b#sghIEh{E z?#>~kVKrK|d;q7>V9-iuY@4=H<#7{=mUp`}!qE{g_f&R=Ey82U_uBmUP*Zaz%iW1I zXSiAv?eghvjN*v7A^(z8ljv|*D>gjSJzh6vN`Ik`ePA_m+izMQ#`wOe{8`aori~Pd zH2!NLWN5MC+DlbY6X8*7?p2)^J?ocmcQ{-*Ze`r+Fk5lllckplX7Nx+9&*@lR5xCh zOtKVtRKb4zn_16;NY^)%m4(PpZ!6tu47@jjg3)IvA17iRKbpQiEUTO!lGX_e!>W?IddWM10 zF>->)Or}ILatEGAYc;KXt8%Tp(!weqaIA%&EI&b-ncd0v3J4>Z{@BWE#5?a*MDR_9 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516 523 526 529 532 535 545 548 551 552 553 567 569 573 + 576 583 586 589 597 600 603 614 617 618 619 626 629 632 633 + 634 643 646 649 650 651 660 663 666 669 671 672 675 684 687 + 689 693 703 705 709 712 722 725 726 728 730 732 734 742 759 + 762 765 768 771 781 784 787 788 789 798 801 803 807 817 820 + 823 824 825 832 835 836 837 851 854 857 860 862 863 866 875 + 877 881 889 892 894 898 908 911 919 922 923 924 931 934 935 + 937 939 940 942 944 952 955 956 957 966 968 972 975 985 988 + 991 992 993 1002 1005 1008 1011 1014 1024 1027 1030 1031 1032 1039 1042 +1050 1052 1056 1064 1067 1069 1073 1083 1086 1087 1088 1090 1092 1100 1103 +1105 1109 1119 1121 1125 1135 1138 1140 1144 1154 1157 1160 1163 1165 1166 +1169 1178 1181 1183 1187 1197 1200 1203 1206 1208 1209 1212 diff --git a/regtest/isdb/rt-coverage-EMMI-ovstride/ovfile.dat-0.reference b/regtest/isdb/rt-coverage-EMMI-ovstride/ovfile.dat-0.reference new file mode 100644 index 0000000000..b3886458c7 --- /dev/null +++ b/regtest/isdb/rt-coverage-EMMI-ovstride/ovfile.dat-0.reference @@ -0,0 +1,10 @@ +#! FIELDS Model ModelScaled Data +5.6802024e-06 5.6802024e-06 2.7484379e-04 +1.5210565e-06 1.5210565e-06 7.0309917e-06 +3.4405166e-06 3.4405166e-06 2.9480786e-04 +1.8206681e-07 1.8206681e-07 1.4162785e-05 +5.0668358e-07 5.0668358e-07 1.9529536e-04 +6.0397350e-07 6.0397350e-07 1.5399040e-04 +6.9689721e-06 6.9689721e-06 1.8437615e-04 +1.6855867e-06 1.6855867e-06 1.7877239e-04 +8.4530421e-07 8.4530421e-07 1.6307706e-04 diff --git a/regtest/isdb/rt-coverage-EMMI-ovstride/ovfiles.txt.reference b/regtest/isdb/rt-coverage-EMMI-ovstride/ovfiles.txt.reference new file mode 100644 index 0000000000..d7e7786afa --- /dev/null +++ b/regtest/isdb/rt-coverage-EMMI-ovstride/ovfiles.txt.reference @@ -0,0 +1,2 @@ +found ovfile.dat-0 +found ovfile.dat-2 diff --git a/regtest/isdb/rt-coverage-EMMI-ovstride/plumed.dat b/regtest/isdb/rt-coverage-EMMI-ovstride/plumed.dat new file mode 100644 index 0000000000..65ce34b7cd --- /dev/null +++ b/regtest/isdb/rt-coverage-EMMI-ovstride/plumed.dat @@ -0,0 +1,21 @@ +# structural info +MOLINFO STRUCTURE=structure.pdb + +# define all heavy atoms +protein-h: GROUP NDX_FILE=index.ndx NDX_GROUP=Protein-H + + +EMMI ... +LABEL=gmm NO_AVER NOPBC TEMP=300.0 NL_STRIDE=20 NL_CUTOFF=0.001 +ATOMS=protein-h GMM_FILE=1ubq_GMM_PLUMED.dat +SIGMA_MIN=0.01 RESOLUTION=0.1 NOISETYPE=GAUSS +WRITE_STRIDE=1000 SIGMA0=0.2 DSIGMA=0.0 + +WRITE_OV_STRIDE=2 WRITE_OV=ovfile.dat +... + + +# printout + + +PRINT ARG=*.scoreb FILE=COLVAR STRIDE=1 diff --git a/regtest/isdb/rt-coverage-EMMI-ovstride/structure.pdb b/regtest/isdb/rt-coverage-EMMI-ovstride/structure.pdb new file mode 100644 index 0000000000..c887306fb1 --- /dev/null +++ b/regtest/isdb/rt-coverage-EMMI-ovstride/structure.pdb @@ -0,0 +1,4932 @@ +ATOM 1 N MET 1 23.870 24.100 -0.060 1.00 0.00 +ATOM 2 H1 MET 1 24.370 24.710 -0.680 1.00 0.00 +ATOM 3 H2 MET 1 24.550 23.510 0.410 1.00 0.00 +ATOM 4 H3 MET 1 23.260 23.510 -0.600 1.00 0.00 +ATOM 5 CA MET 1 23.120 24.880 0.930 1.00 0.00 +ATOM 6 HA MET 1 22.370 25.470 0.390 1.00 0.00 +ATOM 7 CB MET 1 22.390 23.990 1.930 1.00 0.00 +ATOM 8 HB1 MET 1 22.300 24.480 2.900 1.00 0.00 +ATOM 9 HB2 MET 1 22.940 23.060 2.090 1.00 0.00 +ATOM 10 CG MET 1 20.970 23.660 1.450 1.00 0.00 +ATOM 11 HG1 MET 1 20.520 22.980 2.170 1.00 0.00 +ATOM 12 HG2 MET 1 21.030 23.160 0.490 1.00 0.00 +ATOM 13 SD MET 1 19.890 25.110 1.290 1.00 0.00 +ATOM 14 CE MET 1 18.370 24.260 0.780 1.00 0.00 +ATOM 15 HE1 MET 1 17.580 24.990 0.630 1.00 0.00 +ATOM 16 HE2 MET 1 18.540 23.730 -0.160 1.00 0.00 +ATOM 17 HE3 MET 1 18.070 23.550 1.550 1.00 0.00 +ATOM 18 C MET 1 24.010 25.900 1.630 1.00 0.00 +ATOM 19 O MET 1 25.210 25.940 1.390 1.00 0.00 +ATOM 20 N GLN 2 23.410 26.750 2.470 1.00 0.00 +ATOM 21 H GLN 2 22.420 26.640 2.640 1.00 0.00 +ATOM 22 CA GLN 2 24.090 27.770 3.240 1.00 0.00 +ATOM 23 HA GLN 2 25.170 27.630 3.140 1.00 0.00 +ATOM 24 CB GLN 2 23.750 29.160 2.720 1.00 0.00 +ATOM 25 HB1 GLN 2 24.020 29.210 1.660 1.00 0.00 +ATOM 26 HB2 GLN 2 24.360 29.890 3.250 1.00 0.00 +ATOM 27 CG GLN 2 22.280 29.550 2.880 1.00 0.00 +ATOM 28 HG1 GLN 2 22.010 29.530 3.940 1.00 0.00 +ATOM 29 HG2 GLN 2 21.650 28.830 2.360 1.00 0.00 +ATOM 30 CD GLN 2 21.950 30.940 2.350 1.00 0.00 +ATOM 31 OE1 GLN 2 22.800 31.710 1.910 1.00 0.00 +ATOM 32 NE2 GLN 2 20.680 31.340 2.360 1.00 0.00 +ATOM 33 1HE2 GLN 2 19.950 30.760 2.750 1.00 0.00 +ATOM 34 2HE2 GLN 2 20.470 32.260 2.010 1.00 0.00 +ATOM 35 C GLN 2 23.790 27.660 4.730 1.00 0.00 +ATOM 36 O GLN 2 22.760 27.130 5.140 1.00 0.00 +ATOM 37 N ILE 3 24.680 28.230 5.560 1.00 0.00 +ATOM 38 H ILE 3 25.480 28.680 5.140 1.00 0.00 +ATOM 39 CA ILE 3 24.510 28.420 6.980 1.00 0.00 +ATOM 40 HA ILE 3 23.450 28.320 7.240 1.00 0.00 +ATOM 41 CB ILE 3 25.290 27.390 7.800 1.00 0.00 +ATOM 42 HB ILE 3 26.360 27.590 7.660 1.00 0.00 +ATOM 43 CG2 ILE 3 24.970 27.560 9.280 1.00 0.00 +ATOM 44 1HG2 ILE 3 25.570 26.880 9.880 1.00 0.00 +ATOM 45 2HG2 ILE 3 25.200 28.560 9.620 1.00 0.00 +ATOM 46 3HG2 ILE 3 23.910 27.350 9.460 1.00 0.00 +ATOM 47 CG1 ILE 3 25.000 25.960 7.340 1.00 0.00 +ATOM 48 1HG1 ILE 3 25.320 25.850 6.310 1.00 0.00 +ATOM 49 2HG1 ILE 3 23.930 25.790 7.380 1.00 0.00 +ATOM 50 CD ILE 3 25.700 24.860 8.140 1.00 0.00 +ATOM 51 HD1 ILE 3 25.510 23.910 7.640 1.00 0.00 +ATOM 52 HD2 ILE 3 26.770 25.040 8.170 1.00 0.00 +ATOM 53 HD3 ILE 3 25.300 24.800 9.150 1.00 0.00 +ATOM 54 C ILE 3 24.930 29.850 7.280 1.00 0.00 +ATOM 55 O ILE 3 25.910 30.330 6.710 1.00 0.00 +ATOM 56 N PHE 4 24.200 30.560 8.140 1.00 0.00 +ATOM 57 H PHE 4 23.440 30.110 8.640 1.00 0.00 +ATOM 58 CA PHE 4 24.570 31.900 8.540 1.00 0.00 +ATOM 59 HA PHE 4 25.080 32.390 7.710 1.00 0.00 +ATOM 60 CB PHE 4 23.340 32.750 8.870 1.00 0.00 +ATOM 61 HB1 PHE 4 23.680 33.750 9.140 1.00 0.00 +ATOM 62 HB2 PHE 4 22.840 32.330 9.730 1.00 0.00 +ATOM 63 CG PHE 4 22.360 32.890 7.720 1.00 0.00 +ATOM 64 CD1 PHE 4 21.000 32.620 7.930 1.00 0.00 +ATOM 65 HD1 PHE 4 20.650 32.330 8.920 1.00 0.00 +ATOM 66 CE1 PHE 4 20.100 32.720 6.870 1.00 0.00 +ATOM 67 HE1 PHE 4 19.050 32.530 7.040 1.00 0.00 +ATOM 68 CZ PHE 4 20.550 33.070 5.590 1.00 0.00 +ATOM 69 HZ PHE 4 19.850 33.130 4.770 1.00 0.00 +ATOM 70 CE2 PHE 4 21.900 33.350 5.380 1.00 0.00 +ATOM 71 HE2 PHE 4 22.250 33.630 4.400 1.00 0.00 +ATOM 72 CD2 PHE 4 22.810 33.270 6.450 1.00 0.00 +ATOM 73 HD2 PHE 4 23.850 33.500 6.280 1.00 0.00 +ATOM 74 C PHE 4 25.550 31.870 9.700 1.00 0.00 +ATOM 75 O PHE 4 25.260 31.360 10.780 1.00 0.00 +ATOM 76 N VAL 5 26.720 32.480 9.480 1.00 0.00 +ATOM 77 H VAL 5 26.890 32.900 8.570 1.00 0.00 +ATOM 78 CA VAL 5 27.800 32.560 10.440 1.00 0.00 +ATOM 79 HA VAL 5 27.530 32.010 11.340 1.00 0.00 +ATOM 80 CB VAL 5 29.100 31.960 9.900 1.00 0.00 +ATOM 81 HB VAL 5 29.570 32.680 9.230 1.00 0.00 +ATOM 82 CG1 VAL 5 30.070 31.670 11.040 1.00 0.00 +ATOM 83 1HG1 VAL 5 31.000 31.270 10.640 1.00 0.00 +ATOM 84 2HG1 VAL 5 30.290 32.590 11.580 1.00 0.00 +ATOM 85 3HG1 VAL 5 29.630 30.950 11.730 1.00 0.00 +ATOM 86 CG2 VAL 5 28.880 30.670 9.110 1.00 0.00 +ATOM 87 1HG2 VAL 5 29.840 30.290 8.760 1.00 0.00 +ATOM 88 2HG2 VAL 5 28.370 29.930 9.730 1.00 0.00 +ATOM 89 3HG2 VAL 5 28.270 30.860 8.220 1.00 0.00 +ATOM 90 C VAL 5 27.990 34.030 10.800 1.00 0.00 +ATOM 91 O VAL 5 28.090 34.880 9.920 1.00 0.00 +ATOM 92 N LYS 6 28.000 34.340 12.100 1.00 0.00 +ATOM 93 H LYS 6 27.870 33.600 12.770 1.00 0.00 +ATOM 94 CA LYS 6 28.170 35.680 12.620 1.00 0.00 +ATOM 95 HA LYS 6 28.520 36.340 11.820 1.00 0.00 +ATOM 96 CB LYS 6 26.850 36.230 13.150 1.00 0.00 +ATOM 97 HB1 LYS 6 27.010 37.260 13.460 1.00 0.00 +ATOM 98 HB2 LYS 6 26.560 35.660 14.030 1.00 0.00 +ATOM 99 CG LYS 6 25.720 36.190 12.130 1.00 0.00 +ATOM 100 HG1 LYS 6 25.470 35.160 11.890 1.00 0.00 +ATOM 101 HG2 LYS 6 26.040 36.700 11.220 1.00 0.00 +ATOM 102 CD LYS 6 24.460 36.880 12.670 1.00 0.00 +ATOM 103 HD1 LYS 6 24.690 37.920 12.900 1.00 0.00 +ATOM 104 HD2 LYS 6 24.150 36.370 13.590 1.00 0.00 +ATOM 105 CE LYS 6 23.340 36.810 11.640 1.00 0.00 +ATOM 106 HE1 LYS 6 23.130 35.770 11.420 1.00 0.00 +ATOM 107 HE2 LYS 6 23.680 37.290 10.730 1.00 0.00 +ATOM 108 NZ LYS 6 22.120 37.480 12.130 1.00 0.00 +ATOM 109 HZ1 LYS 6 21.380 37.430 11.440 1.00 0.00 +ATOM 110 HZ2 LYS 6 21.780 37.040 12.980 1.00 0.00 +ATOM 111 HZ3 LYS 6 22.290 38.450 12.330 1.00 0.00 +ATOM 112 C LYS 6 29.260 35.680 13.690 1.00 0.00 +ATOM 113 O LYS 6 29.530 34.660 14.310 1.00 0.00 +ATOM 114 N THR 7 29.870 36.850 13.910 1.00 0.00 +ATOM 115 H THR 7 29.590 37.650 13.350 1.00 0.00 +ATOM 116 CA THR 7 30.980 37.050 14.820 1.00 0.00 +ATOM 117 HA THR 7 31.120 36.160 15.440 1.00 0.00 +ATOM 118 CB THR 7 32.270 37.290 14.050 1.00 0.00 +ATOM 119 HB THR 7 33.060 37.560 14.750 1.00 0.00 +ATOM 120 CG2 THR 7 32.720 36.060 13.270 1.00 0.00 +ATOM 121 1HG2 THR 7 33.660 36.260 12.760 1.00 0.00 +ATOM 122 2HG2 THR 7 32.870 35.230 13.970 1.00 0.00 +ATOM 123 3HG2 THR 7 31.970 35.770 12.540 1.00 0.00 +ATOM 124 OG1 THR 7 32.090 38.360 13.140 1.00 0.00 +ATOM 125 HG1 THR 7 32.930 38.480 12.680 1.00 0.00 +ATOM 126 C THR 7 30.690 38.210 15.770 1.00 0.00 +ATOM 127 O THR 7 29.750 38.970 15.550 1.00 0.00 +ATOM 128 N LEU 8 31.490 38.370 16.820 1.00 0.00 +ATOM 129 H LEU 8 32.220 37.690 16.990 1.00 0.00 +ATOM 130 CA LEU 8 31.310 39.430 17.800 1.00 0.00 +ATOM 131 HA LEU 8 30.320 39.290 18.230 1.00 0.00 +ATOM 132 CB LEU 8 32.360 39.300 18.900 1.00 0.00 +ATOM 133 HB1 LEU 8 33.340 39.480 18.460 1.00 0.00 +ATOM 134 HB2 LEU 8 32.350 38.280 19.280 1.00 0.00 +ATOM 135 CG LEU 8 32.140 40.270 20.050 1.00 0.00 +ATOM 136 HG LEU 8 32.090 41.290 19.670 1.00 0.00 +ATOM 137 CD1 LEU 8 30.860 39.980 20.830 1.00 0.00 +ATOM 138 1HD1 LEU 8 30.780 40.670 21.670 1.00 0.00 +ATOM 139 2HD1 LEU 8 29.990 40.120 20.190 1.00 0.00 +ATOM 140 3HD1 LEU 8 30.880 38.950 21.200 1.00 0.00 +ATOM 141 CD2 LEU 8 33.310 40.220 21.030 1.00 0.00 +ATOM 142 1HD2 LEU 8 33.150 40.960 21.820 1.00 0.00 +ATOM 143 2HD2 LEU 8 33.390 39.230 21.480 1.00 0.00 +ATOM 144 3HD2 LEU 8 34.230 40.480 20.500 1.00 0.00 +ATOM 145 C LEU 8 31.350 40.820 17.180 1.00 0.00 +ATOM 146 O LEU 8 30.580 41.700 17.580 1.00 0.00 +ATOM 147 N THR 9 32.230 41.030 16.200 1.00 0.00 +ATOM 148 H THR 9 32.800 40.260 15.890 1.00 0.00 +ATOM 149 CA THR 9 32.370 42.280 15.490 1.00 0.00 +ATOM 150 HA THR 9 32.570 43.080 16.210 1.00 0.00 +ATOM 151 CB THR 9 33.550 42.220 14.520 1.00 0.00 +ATOM 152 HB THR 9 33.580 43.130 13.920 1.00 0.00 +ATOM 153 CG2 THR 9 34.880 42.090 15.260 1.00 0.00 +ATOM 154 1HG2 THR 9 35.700 42.080 14.540 1.00 0.00 +ATOM 155 2HG2 THR 9 35.010 42.930 15.930 1.00 0.00 +ATOM 156 3HG2 THR 9 34.910 41.160 15.830 1.00 0.00 +ATOM 157 OG1 THR 9 33.440 41.110 13.660 1.00 0.00 +ATOM 158 HG1 THR 9 34.190 41.140 13.070 1.00 0.00 +ATOM 159 C THR 9 31.120 42.670 14.710 1.00 0.00 +ATOM 160 O THR 9 30.860 43.860 14.520 1.00 0.00 +ATOM 161 N GLY 10 30.320 41.690 14.300 1.00 0.00 +ATOM 162 H GLY 10 30.610 40.740 14.510 1.00 0.00 +ATOM 163 CA GLY 10 29.070 41.850 13.590 1.00 0.00 +ATOM 164 HA1 GLY 10 28.670 42.850 13.750 1.00 0.00 +ATOM 165 HA2 GLY 10 28.350 41.130 13.990 1.00 0.00 +ATOM 166 C GLY 10 29.180 41.610 12.090 1.00 0.00 +ATOM 167 O GLY 10 28.290 42.010 11.340 1.00 0.00 +ATOM 168 N LYS 11 30.260 40.970 11.640 1.00 0.00 +ATOM 169 H LYS 11 30.930 40.640 12.320 1.00 0.00 +ATOM 170 CA LYS 11 30.450 40.570 10.260 1.00 0.00 +ATOM 171 HA LYS 11 30.000 41.330 9.610 1.00 0.00 +ATOM 172 CB LYS 11 31.950 40.520 9.950 1.00 0.00 +ATOM 173 HB1 LYS 11 32.410 39.710 10.500 1.00 0.00 +ATOM 174 HB2 LYS 11 32.390 41.470 10.270 1.00 0.00 +ATOM 175 CG LYS 11 32.210 40.340 8.460 1.00 0.00 +ATOM 176 HG1 LYS 11 31.720 41.140 7.900 1.00 0.00 +ATOM 177 HG2 LYS 11 31.780 39.390 8.130 1.00 0.00 +ATOM 178 CD LYS 11 33.690 40.330 8.100 1.00 0.00 +ATOM 179 HD1 LYS 11 33.790 40.110 7.040 1.00 0.00 +ATOM 180 HD2 LYS 11 34.190 39.530 8.660 1.00 0.00 +ATOM 181 CE LYS 11 34.370 41.670 8.400 1.00 0.00 +ATOM 182 HE1 LYS 11 34.320 41.860 9.470 1.00 0.00 +ATOM 183 HE2 LYS 11 33.820 42.460 7.880 1.00 0.00 +ATOM 184 NZ LYS 11 35.770 41.680 7.970 1.00 0.00 +ATOM 185 HZ1 LYS 11 36.200 42.580 8.150 1.00 0.00 +ATOM 186 HZ2 LYS 11 36.300 40.990 8.470 1.00 0.00 +ATOM 187 HZ3 LYS 11 35.850 41.510 6.970 1.00 0.00 +ATOM 188 C LYS 11 29.740 39.250 10.000 1.00 0.00 +ATOM 189 O LYS 11 30.070 38.240 10.620 1.00 0.00 +ATOM 190 N THR 12 28.770 39.260 9.090 1.00 0.00 +ATOM 191 H THR 12 28.540 40.130 8.630 1.00 0.00 +ATOM 192 CA THR 12 28.110 38.050 8.640 1.00 0.00 +ATOM 193 HA THR 12 28.070 37.340 9.470 1.00 0.00 +ATOM 194 CB THR 12 26.660 38.290 8.210 1.00 0.00 +ATOM 195 HB THR 12 26.650 38.930 7.330 1.00 0.00 +ATOM 196 CG2 THR 12 25.920 36.990 7.920 1.00 0.00 +ATOM 197 1HG2 THR 12 24.890 37.210 7.630 1.00 0.00 +ATOM 198 2HG2 THR 12 26.400 36.460 7.090 1.00 0.00 +ATOM 199 3HG2 THR 12 25.920 36.350 8.800 1.00 0.00 +ATOM 200 OG1 THR 12 25.950 38.930 9.250 1.00 0.00 +ATOM 201 HG1 THR 12 25.090 39.150 8.900 1.00 0.00 +ATOM 202 C THR 12 28.920 37.430 7.520 1.00 0.00 +ATOM 203 O THR 12 29.200 38.080 6.510 1.00 0.00 +ATOM 204 N ILE 13 29.300 36.160 7.690 1.00 0.00 +ATOM 205 H ILE 13 28.980 35.680 8.520 1.00 0.00 +ATOM 206 CA ILE 13 29.990 35.350 6.710 1.00 0.00 +ATOM 207 HA ILE 13 30.280 35.960 5.850 1.00 0.00 +ATOM 208 CB ILE 13 31.270 34.750 7.300 1.00 0.00 +ATOM 209 HB ILE 13 30.990 34.110 8.130 1.00 0.00 +ATOM 210 CG2 ILE 13 31.990 33.870 6.280 1.00 0.00 +ATOM 211 1HG2 ILE 13 32.910 33.470 6.710 1.00 0.00 +ATOM 212 2HG2 ILE 13 31.360 33.020 6.000 1.00 0.00 +ATOM 213 3HG2 ILE 13 32.230 34.430 5.380 1.00 0.00 +ATOM 214 CG1 ILE 13 32.230 35.800 7.860 1.00 0.00 +ATOM 215 1HG1 ILE 13 33.080 35.280 8.310 1.00 0.00 +ATOM 216 2HG1 ILE 13 31.730 36.340 8.660 1.00 0.00 +ATOM 217 CD ILE 13 32.780 36.810 6.860 1.00 0.00 +ATOM 218 HD1 ILE 13 33.440 37.500 7.380 1.00 0.00 +ATOM 219 HD2 ILE 13 33.360 36.310 6.080 1.00 0.00 +ATOM 220 HD3 ILE 13 31.970 37.380 6.400 1.00 0.00 +ATOM 221 C ILE 13 29.010 34.290 6.220 1.00 0.00 +ATOM 222 O ILE 13 28.430 33.550 7.010 1.00 0.00 +ATOM 223 N THR 14 28.800 34.230 4.900 1.00 0.00 +ATOM 224 H THR 14 29.290 34.850 4.280 1.00 0.00 +ATOM 225 CA THR 14 28.000 33.180 4.300 1.00 0.00 +ATOM 226 HA THR 14 27.180 32.930 4.980 1.00 0.00 +ATOM 227 CB THR 14 27.340 33.620 2.990 1.00 0.00 +ATOM 228 HB THR 14 26.900 32.760 2.500 1.00 0.00 +ATOM 229 CG2 THR 14 26.240 34.650 3.260 1.00 0.00 +ATOM 230 1HG2 THR 14 25.760 34.930 2.320 1.00 0.00 +ATOM 231 2HG2 THR 14 25.490 34.210 3.920 1.00 0.00 +ATOM 232 3HG2 THR 14 26.660 35.540 3.730 1.00 0.00 +ATOM 233 OG1 THR 14 28.270 34.230 2.120 1.00 0.00 +ATOM 234 HG1 THR 14 27.810 34.420 1.300 1.00 0.00 +ATOM 235 C THR 14 28.830 31.920 4.110 1.00 0.00 +ATOM 236 O THR 14 29.990 31.970 3.720 1.00 0.00 +ATOM 237 N LEU 15 28.210 30.770 4.400 1.00 0.00 +ATOM 238 H LEU 15 27.250 30.810 4.730 1.00 0.00 +ATOM 239 CA LEU 15 28.770 29.460 4.160 1.00 0.00 +ATOM 240 HA LEU 15 29.840 29.560 3.990 1.00 0.00 +ATOM 241 CB LEU 15 28.550 28.610 5.410 1.00 0.00 +ATOM 242 HB1 LEU 15 27.500 28.320 5.440 1.00 0.00 +ATOM 243 HB2 LEU 15 28.750 29.220 6.290 1.00 0.00 +ATOM 244 CG LEU 15 29.410 27.360 5.480 1.00 0.00 +ATOM 245 HG LEU 15 29.310 26.800 4.550 1.00 0.00 +ATOM 246 CD1 LEU 15 30.890 27.680 5.720 1.00 0.00 +ATOM 247 1HD1 LEU 15 31.450 26.760 5.840 1.00 0.00 +ATOM 248 2HD1 LEU 15 31.300 28.240 4.880 1.00 0.00 +ATOM 249 3HD1 LEU 15 30.990 28.280 6.630 1.00 0.00 +ATOM 250 CD2 LEU 15 28.930 26.460 6.620 1.00 0.00 +ATOM 251 1HD2 LEU 15 29.570 25.580 6.700 1.00 0.00 +ATOM 252 2HD2 LEU 15 28.950 27.010 7.570 1.00 0.00 +ATOM 253 3HD2 LEU 15 27.920 26.130 6.410 1.00 0.00 +ATOM 254 C LEU 15 28.140 28.860 2.900 1.00 0.00 +ATOM 255 O LEU 15 26.970 29.120 2.620 1.00 0.00 +ATOM 256 N GLU 16 28.910 28.080 2.140 1.00 0.00 +ATOM 257 H GLU 16 29.880 27.960 2.390 1.00 0.00 +ATOM 258 CA GLU 16 28.450 27.460 0.910 1.00 0.00 +ATOM 259 HA GLU 16 27.390 27.660 0.770 1.00 0.00 +ATOM 260 CB GLU 16 29.180 28.070 -0.290 1.00 0.00 +ATOM 261 HB1 GLU 16 28.840 27.560 -1.200 1.00 0.00 +ATOM 262 HB2 GLU 16 30.250 27.890 -0.180 1.00 0.00 +ATOM 263 CG GLU 16 28.930 29.560 -0.470 1.00 0.00 +ATOM 264 HG1 GLU 16 29.350 30.110 0.370 1.00 0.00 +ATOM 265 HG2 GLU 16 27.860 29.740 -0.490 1.00 0.00 +ATOM 266 CD GLU 16 29.560 30.070 -1.760 1.00 0.00 +ATOM 267 OE1 GLU 16 30.800 30.060 -1.890 1.00 0.00 +ATOM 268 OE2 GLU 16 28.820 30.510 -2.670 1.00 0.00 +ATOM 269 C GLU 16 28.580 25.940 0.900 1.00 0.00 +ATOM 270 O GLU 16 28.190 25.290 -0.070 1.00 0.00 +ATOM 271 N VAL 17 29.100 25.350 1.980 1.00 0.00 +ATOM 272 H VAL 17 29.340 25.930 2.760 1.00 0.00 +ATOM 273 CA VAL 17 29.180 23.910 2.170 1.00 0.00 +ATOM 274 HA VAL 17 29.190 23.440 1.190 1.00 0.00 +ATOM 275 CB VAL 17 30.480 23.480 2.860 1.00 0.00 +ATOM 276 HB VAL 17 30.470 22.390 2.920 1.00 0.00 +ATOM 277 CG1 VAL 17 31.690 23.880 2.030 1.00 0.00 +ATOM 278 1HG1 VAL 17 32.600 23.500 2.510 1.00 0.00 +ATOM 279 2HG1 VAL 17 31.620 23.450 1.030 1.00 0.00 +ATOM 280 3HG1 VAL 17 31.760 24.970 1.950 1.00 0.00 +ATOM 281 CG2 VAL 17 30.640 24.030 4.270 1.00 0.00 +ATOM 282 1HG2 VAL 17 31.550 23.620 4.720 1.00 0.00 +ATOM 283 2HG2 VAL 17 30.730 25.120 4.250 1.00 0.00 +ATOM 284 3HG2 VAL 17 29.800 23.730 4.890 1.00 0.00 +ATOM 285 C VAL 17 27.950 23.380 2.880 1.00 0.00 +ATOM 286 O VAL 17 27.210 24.110 3.540 1.00 0.00 +ATOM 287 N GLU 18 27.690 22.080 2.740 1.00 0.00 +ATOM 288 H GLU 18 28.340 21.510 2.200 1.00 0.00 +ATOM 289 CA GLU 18 26.530 21.410 3.290 1.00 0.00 +ATOM 290 HA GLU 18 25.660 21.960 2.930 1.00 0.00 +ATOM 291 CB GLU 18 26.410 19.990 2.760 1.00 0.00 +ATOM 292 HB1 GLU 18 26.440 20.030 1.670 1.00 0.00 +ATOM 293 HB2 GLU 18 25.440 19.600 3.070 1.00 0.00 +ATOM 294 CG GLU 18 27.500 19.030 3.250 1.00 0.00 +ATOM 295 HG1 GLU 18 27.430 18.920 4.330 1.00 0.00 +ATOM 296 HG2 GLU 18 28.480 19.460 3.020 1.00 0.00 +ATOM 297 CD GLU 18 27.370 17.660 2.610 1.00 0.00 +ATOM 298 OE1 GLU 18 28.280 17.260 1.850 1.00 0.00 +ATOM 299 OE2 GLU 18 26.380 16.950 2.870 1.00 0.00 +ATOM 300 C GLU 18 26.500 21.430 4.820 1.00 0.00 +ATOM 301 O GLU 18 27.540 21.260 5.460 1.00 0.00 +ATOM 302 N PRO 19 25.320 21.490 5.450 1.00 0.00 +ATOM 303 CD PRO 19 24.090 22.010 4.880 1.00 0.00 +ATOM 304 HD1 PRO 19 23.600 21.240 4.290 1.00 0.00 +ATOM 305 HD2 PRO 19 24.260 22.900 4.280 1.00 0.00 +ATOM 306 CG PRO 19 23.210 22.380 6.070 1.00 0.00 +ATOM 307 HG1 PRO 19 22.150 22.260 5.840 1.00 0.00 +ATOM 308 HG2 PRO 19 23.420 23.390 6.400 1.00 0.00 +ATOM 309 CB PRO 19 23.650 21.380 7.140 1.00 0.00 +ATOM 310 HB1 PRO 19 23.080 20.460 7.030 1.00 0.00 +ATOM 311 HB2 PRO 19 23.520 21.780 8.150 1.00 0.00 +ATOM 312 CA PRO 19 25.130 21.140 6.850 1.00 0.00 +ATOM 313 HA PRO 19 25.740 21.810 7.450 1.00 0.00 +ATOM 314 C PRO 19 25.550 19.700 7.110 1.00 0.00 +ATOM 315 O PRO 19 24.940 18.770 6.590 1.00 0.00 +ATOM 316 N SER 20 26.590 19.550 7.940 1.00 0.00 +ATOM 317 H SER 20 27.010 20.430 8.210 1.00 0.00 +ATOM 318 CA SER 20 27.140 18.380 8.580 1.00 0.00 +ATOM 319 HA SER 20 26.460 18.060 9.370 1.00 0.00 +ATOM 320 CB SER 20 27.350 17.210 7.620 1.00 0.00 +ATOM 321 HB1 SER 20 28.170 16.570 7.950 1.00 0.00 +ATOM 322 HB2 SER 20 27.600 17.590 6.630 1.00 0.00 +ATOM 323 OG SER 20 26.210 16.390 7.580 1.00 0.00 +ATOM 324 HG SER 20 26.320 15.780 6.840 1.00 0.00 +ATOM 325 C SER 20 28.460 18.710 9.270 1.00 0.00 +ATOM 326 O SER 20 29.220 17.810 9.630 1.00 0.00 +ATOM 327 N ASP 21 28.800 19.990 9.440 1.00 0.00 +ATOM 328 H ASP 21 28.130 20.720 9.240 1.00 0.00 +ATOM 329 CA ASP 21 30.060 20.460 9.970 1.00 0.00 +ATOM 330 HA ASP 21 30.460 19.730 10.670 1.00 0.00 +ATOM 331 CB ASP 21 31.090 20.630 8.850 1.00 0.00 +ATOM 332 HB1 ASP 21 31.270 19.650 8.420 1.00 0.00 +ATOM 333 HB2 ASP 21 32.040 20.950 9.300 1.00 0.00 +ATOM 334 CG ASP 21 30.770 21.580 7.710 1.00 0.00 +ATOM 335 OD1 ASP 21 29.750 22.310 7.740 1.00 0.00 +ATOM 336 OD2 ASP 21 31.590 21.630 6.770 1.00 0.00 +ATOM 337 C ASP 21 29.870 21.760 10.750 1.00 0.00 +ATOM 338 O ASP 21 28.810 22.380 10.730 1.00 0.00 +ATOM 339 N THR 22 30.920 22.160 11.480 1.00 0.00 +ATOM 340 H THR 22 31.750 21.580 11.490 1.00 0.00 +ATOM 341 CA THR 22 31.010 23.410 12.200 1.00 0.00 +ATOM 342 HA THR 22 30.100 23.990 12.020 1.00 0.00 +ATOM 343 CB THR 22 31.110 23.200 13.710 1.00 0.00 +ATOM 344 HB THR 22 31.380 24.140 14.180 1.00 0.00 +ATOM 345 CG2 THR 22 29.770 22.740 14.290 1.00 0.00 +ATOM 346 1HG2 THR 22 29.850 22.620 15.370 1.00 0.00 +ATOM 347 2HG2 THR 22 29.010 23.490 14.070 1.00 0.00 +ATOM 348 3HG2 THR 22 29.470 21.800 13.840 1.00 0.00 +ATOM 349 OG1 THR 22 32.070 22.220 14.040 1.00 0.00 +ATOM 350 HG1 THR 22 32.100 22.170 15.000 1.00 0.00 +ATOM 351 C THR 22 32.170 24.250 11.680 1.00 0.00 +ATOM 352 O THR 22 33.240 23.730 11.340 1.00 0.00 +ATOM 353 N ILE 23 31.940 25.560 11.590 1.00 0.00 +ATOM 354 H ILE 23 31.040 25.910 11.880 1.00 0.00 +ATOM 355 CA ILE 23 32.870 26.510 11.000 1.00 0.00 +ATOM 356 HA ILE 23 33.240 26.070 10.080 1.00 0.00 +ATOM 357 CB ILE 23 32.160 27.810 10.620 1.00 0.00 +ATOM 358 HB ILE 23 31.890 28.350 11.530 1.00 0.00 +ATOM 359 CG2 ILE 23 33.090 28.700 9.800 1.00 0.00 +ATOM 360 1HG2 ILE 23 32.580 29.630 9.560 1.00 0.00 +ATOM 361 2HG2 ILE 23 33.970 28.970 10.380 1.00 0.00 +ATOM 362 3HG2 ILE 23 33.390 28.210 8.880 1.00 0.00 +ATOM 363 CG1 ILE 23 30.900 27.560 9.800 1.00 0.00 +ATOM 364 1HG1 ILE 23 30.990 26.630 9.230 1.00 0.00 +ATOM 365 2HG1 ILE 23 30.770 28.350 9.060 1.00 0.00 +ATOM 366 CD ILE 23 29.620 27.520 10.630 1.00 0.00 +ATOM 367 HD1 ILE 23 28.760 27.380 9.970 1.00 0.00 +ATOM 368 HD2 ILE 23 29.630 26.700 11.350 1.00 0.00 +ATOM 369 HD3 ILE 23 29.500 28.460 11.170 1.00 0.00 +ATOM 370 C ILE 23 34.050 26.730 11.930 1.00 0.00 +ATOM 371 O ILE 23 33.920 26.850 13.150 1.00 0.00 +ATOM 372 N GLU 24 35.240 26.790 11.330 1.00 0.00 +ATOM 373 H GLU 24 35.260 26.620 10.330 1.00 0.00 +ATOM 374 CA GLU 24 36.520 26.990 11.980 1.00 0.00 +ATOM 375 HA GLU 24 36.350 27.390 12.980 1.00 0.00 +ATOM 376 CB GLU 24 37.170 25.620 12.120 1.00 0.00 +ATOM 377 HB1 GLU 24 37.550 25.300 11.150 1.00 0.00 +ATOM 378 HB2 GLU 24 36.410 24.910 12.430 1.00 0.00 +ATOM 379 CG GLU 24 38.290 25.520 13.160 1.00 0.00 +ATOM 380 HG1 GLU 24 37.900 25.830 14.130 1.00 0.00 +ATOM 381 HG2 GLU 24 39.110 26.190 12.890 1.00 0.00 +ATOM 382 CD GLU 24 38.830 24.100 13.260 1.00 0.00 +ATOM 383 OE1 GLU 24 39.430 23.600 12.280 1.00 0.00 +ATOM 384 OE2 GLU 24 38.670 23.460 14.320 1.00 0.00 +ATOM 385 C GLU 24 37.370 28.010 11.240 1.00 0.00 +ATOM 386 O GLU 24 38.460 28.380 11.680 1.00 0.00 +ATOM 387 N ASN 25 36.850 28.560 10.140 1.00 0.00 +ATOM 388 H ASN 25 35.920 28.260 9.880 1.00 0.00 +ATOM 389 CA ASN 25 37.510 29.510 9.260 1.00 0.00 +ATOM 390 HA ASN 25 38.580 29.310 9.270 1.00 0.00 +ATOM 391 CB ASN 25 36.980 29.290 7.850 1.00 0.00 +ATOM 392 HB1 ASN 25 37.480 29.990 7.170 1.00 0.00 +ATOM 393 HB2 ASN 25 35.910 29.510 7.820 1.00 0.00 +ATOM 394 CG ASN 25 37.210 27.890 7.290 1.00 0.00 +ATOM 395 OD1 ASN 25 38.010 27.100 7.770 1.00 0.00 +ATOM 396 ND2 ASN 25 36.480 27.530 6.230 1.00 0.00 +ATOM 397 1HD2 ASN 25 35.820 28.170 5.820 1.00 0.00 +ATOM 398 2HD2 ASN 25 36.620 26.600 5.860 1.00 0.00 +ATOM 399 C ASN 25 37.330 30.950 9.720 1.00 0.00 +ATOM 400 O ASN 25 38.090 31.830 9.340 1.00 0.00 +ATOM 401 N VAL 26 36.360 31.190 10.620 1.00 0.00 +ATOM 402 H VAL 26 35.760 30.410 10.860 1.00 0.00 +ATOM 403 CA VAL 26 36.150 32.440 11.330 1.00 0.00 +ATOM 404 HA VAL 26 36.510 33.260 10.710 1.00 0.00 +ATOM 405 CB VAL 26 34.650 32.680 11.550 1.00 0.00 +ATOM 406 HB VAL 26 34.530 33.640 12.060 1.00 0.00 +ATOM 407 CG1 VAL 26 33.920 32.760 10.220 1.00 0.00 +ATOM 408 1HG1 VAL 26 32.870 33.000 10.390 1.00 0.00 +ATOM 409 2HG1 VAL 26 34.360 33.540 9.600 1.00 0.00 +ATOM 410 3HG1 VAL 26 33.980 31.810 9.680 1.00 0.00 +ATOM 411 CG2 VAL 26 34.000 31.610 12.420 1.00 0.00 +ATOM 412 1HG2 VAL 26 32.940 31.830 12.530 1.00 0.00 +ATOM 413 2HG2 VAL 26 34.090 30.620 11.970 1.00 0.00 +ATOM 414 3HG2 VAL 26 34.450 31.600 13.410 1.00 0.00 +ATOM 415 C VAL 26 36.940 32.510 12.630 1.00 0.00 +ATOM 416 O VAL 26 37.140 33.590 13.180 1.00 0.00 +ATOM 417 N LYS 27 37.480 31.370 13.070 1.00 0.00 +ATOM 418 H LYS 27 37.270 30.530 12.530 1.00 0.00 +ATOM 419 CA LYS 27 38.430 31.210 14.160 1.00 0.00 +ATOM 420 HA LYS 27 38.260 32.010 14.880 1.00 0.00 +ATOM 421 CB LYS 27 38.180 29.880 14.870 1.00 0.00 +ATOM 422 HB1 LYS 27 38.800 29.860 15.770 1.00 0.00 +ATOM 423 HB2 LYS 27 38.510 29.070 14.220 1.00 0.00 +ATOM 424 CG LYS 27 36.740 29.620 15.290 1.00 0.00 +ATOM 425 HG1 LYS 27 36.080 29.640 14.420 1.00 0.00 +ATOM 426 HG2 LYS 27 36.410 30.390 16.000 1.00 0.00 +ATOM 427 CD LYS 27 36.630 28.240 15.930 1.00 0.00 +ATOM 428 HD1 LYS 27 37.260 28.190 16.820 1.00 0.00 +ATOM 429 HD2 LYS 27 36.990 27.500 15.220 1.00 0.00 +ATOM 430 CE LYS 27 35.200 27.850 16.320 1.00 0.00 +ATOM 431 HE1 LYS 27 35.170 26.770 16.470 1.00 0.00 +ATOM 432 HE2 LYS 27 34.530 28.080 15.490 1.00 0.00 +ATOM 433 NZ LYS 27 34.770 28.530 17.550 1.00 0.00 +ATOM 434 HZ1 LYS 27 33.830 28.250 17.790 1.00 0.00 +ATOM 435 HZ2 LYS 27 35.350 28.280 18.330 1.00 0.00 +ATOM 436 HZ3 LYS 27 34.800 29.530 17.440 1.00 0.00 +ATOM 437 C LYS 27 39.870 31.310 13.690 1.00 0.00 +ATOM 438 O LYS 27 40.780 31.420 14.520 1.00 0.00 +ATOM 439 N ALA 28 40.100 31.330 12.380 1.00 0.00 +ATOM 440 H ALA 28 39.290 31.200 11.780 1.00 0.00 +ATOM 441 CA ALA 28 41.390 31.380 11.720 1.00 0.00 +ATOM 442 HA ALA 28 42.160 31.090 12.440 1.00 0.00 +ATOM 443 CB ALA 28 41.380 30.340 10.600 1.00 0.00 +ATOM 444 HB1 ALA 28 42.370 30.280 10.150 1.00 0.00 +ATOM 445 HB2 ALA 28 41.120 29.360 11.000 1.00 0.00 +ATOM 446 HB3 ALA 28 40.660 30.630 9.840 1.00 0.00 +ATOM 447 C ALA 28 41.770 32.760 11.200 1.00 0.00 +ATOM 448 O ALA 28 42.880 32.950 10.710 1.00 0.00 +ATOM 449 N LYS 29 40.860 33.740 11.300 1.00 0.00 +ATOM 450 H LYS 29 39.960 33.490 11.680 1.00 0.00 +ATOM 451 CA LYS 29 41.070 35.120 10.920 1.00 0.00 +ATOM 452 HA LYS 29 42.020 35.210 10.390 1.00 0.00 +ATOM 453 CB LYS 29 39.980 35.570 9.950 1.00 0.00 +ATOM 454 HB1 LYS 29 39.020 35.590 10.450 1.00 0.00 +ATOM 455 HB2 LYS 29 39.910 34.850 9.130 1.00 0.00 +ATOM 456 CG LYS 29 40.280 36.950 9.360 1.00 0.00 +ATOM 457 HG1 LYS 29 41.210 36.890 8.790 1.00 0.00 +ATOM 458 HG2 LYS 29 40.410 37.670 10.160 1.00 0.00 +ATOM 459 CD LYS 29 39.160 37.420 8.440 1.00 0.00 +ATOM 460 HD1 LYS 29 38.230 37.460 9.000 1.00 0.00 +ATOM 461 HD2 LYS 29 39.060 36.730 7.610 1.00 0.00 +ATOM 462 CE LYS 29 39.500 38.810 7.910 1.00 0.00 +ATOM 463 HE1 LYS 29 40.470 38.780 7.420 1.00 0.00 +ATOM 464 HE2 LYS 29 39.570 39.500 8.750 1.00 0.00 +ATOM 465 NZ LYS 29 38.480 39.280 6.950 1.00 0.00 +ATOM 466 HZ1 LYS 29 38.690 40.220 6.640 1.00 0.00 +ATOM 467 HZ2 LYS 29 38.450 38.680 6.140 1.00 0.00 +ATOM 468 HZ3 LYS 29 37.560 39.260 7.370 1.00 0.00 +ATOM 469 C LYS 29 41.210 36.010 12.150 1.00 0.00 +ATOM 470 O LYS 29 42.320 36.360 12.550 1.00 0.00 +ATOM 471 N ILE 30 40.080 36.340 12.780 1.00 0.00 +ATOM 472 H ILE 30 39.220 35.970 12.410 1.00 0.00 +ATOM 473 CA ILE 30 39.990 37.340 13.830 1.00 0.00 +ATOM 474 HA ILE 30 40.770 38.080 13.640 1.00 0.00 +ATOM 475 CB ILE 30 38.670 38.090 13.730 1.00 0.00 +ATOM 476 HB ILE 30 38.650 38.840 14.530 1.00 0.00 +ATOM 477 CG2 ILE 30 38.600 38.830 12.400 1.00 0.00 +ATOM 478 1HG2 ILE 30 37.720 39.480 12.370 1.00 0.00 +ATOM 479 2HG2 ILE 30 39.480 39.460 12.280 1.00 0.00 +ATOM 480 3HG2 ILE 30 38.540 38.130 11.570 1.00 0.00 +ATOM 481 CG1 ILE 30 37.470 37.170 13.930 1.00 0.00 +ATOM 482 1HG1 ILE 30 37.610 36.590 14.840 1.00 0.00 +ATOM 483 2HG1 ILE 30 37.400 36.470 13.100 1.00 0.00 +ATOM 484 CD ILE 30 36.130 37.900 14.050 1.00 0.00 +ATOM 485 HD1 ILE 30 35.350 37.170 14.270 1.00 0.00 +ATOM 486 HD2 ILE 30 36.180 38.620 14.870 1.00 0.00 +ATOM 487 HD3 ILE 30 35.880 38.410 13.120 1.00 0.00 +ATOM 488 C ILE 30 40.280 36.810 15.220 1.00 0.00 +ATOM 489 O ILE 30 40.630 37.580 16.120 1.00 0.00 +ATOM 490 N GLN 31 40.230 35.490 15.400 1.00 0.00 +ATOM 491 H GLN 31 39.920 34.920 14.620 1.00 0.00 +ATOM 492 CA GLN 31 40.590 34.810 16.630 1.00 0.00 +ATOM 493 HA GLN 31 40.540 35.530 17.450 1.00 0.00 +ATOM 494 CB GLN 31 39.580 33.720 16.970 1.00 0.00 +ATOM 495 HB1 GLN 31 39.730 33.440 18.010 1.00 0.00 +ATOM 496 HB2 GLN 31 39.760 32.840 16.350 1.00 0.00 +ATOM 497 CG GLN 31 38.130 34.180 16.780 1.00 0.00 +ATOM 498 HG1 GLN 31 37.890 34.190 15.720 1.00 0.00 +ATOM 499 HG2 GLN 31 38.030 35.200 17.150 1.00 0.00 +ATOM 500 CD GLN 31 37.100 33.320 17.490 1.00 0.00 +ATOM 501 OE1 GLN 31 37.290 32.150 17.800 1.00 0.00 +ATOM 502 NE2 GLN 31 35.920 33.890 17.790 1.00 0.00 +ATOM 503 1HE2 GLN 31 35.740 34.850 17.530 1.00 0.00 +ATOM 504 2HE2 GLN 31 35.250 33.350 18.320 1.00 0.00 +ATOM 505 C GLN 31 42.040 34.330 16.600 1.00 0.00 +ATOM 506 O GLN 31 42.650 34.130 17.650 1.00 0.00 +ATOM 507 N ASP 32 42.650 34.260 15.420 1.00 0.00 +ATOM 508 H ASP 32 42.090 34.460 14.600 1.00 0.00 +ATOM 509 CA ASP 32 44.070 34.050 15.210 1.00 0.00 +ATOM 510 HA ASP 32 44.450 33.410 16.010 1.00 0.00 +ATOM 511 CB ASP 32 44.260 33.310 13.880 1.00 0.00 +ATOM 512 HB1 ASP 32 44.040 34.000 13.070 1.00 0.00 +ATOM 513 HB2 ASP 32 43.530 32.500 13.840 1.00 0.00 +ATOM 514 CG ASP 32 45.640 32.700 13.670 1.00 0.00 +ATOM 515 OD1 ASP 32 45.960 32.360 12.510 1.00 0.00 +ATOM 516 OD2 ASP 32 46.400 32.500 14.640 1.00 0.00 +ATOM 517 C ASP 32 44.830 35.360 15.260 1.00 0.00 +ATOM 518 O ASP 32 45.960 35.410 15.750 1.00 0.00 +ATOM 519 N LYS 33 44.200 36.470 14.850 1.00 0.00 +ATOM 520 H LYS 33 43.340 36.350 14.340 1.00 0.00 +ATOM 521 CA LYS 33 44.650 37.830 15.100 1.00 0.00 +ATOM 522 HA LYS 33 45.660 37.940 14.710 1.00 0.00 +ATOM 523 CB LYS 33 43.730 38.800 14.380 1.00 0.00 +ATOM 524 HB1 LYS 33 42.710 38.690 14.760 1.00 0.00 +ATOM 525 HB2 LYS 33 43.730 38.560 13.320 1.00 0.00 +ATOM 526 CG LYS 33 44.140 40.260 14.540 1.00 0.00 +ATOM 527 HG1 LYS 33 45.170 40.380 14.210 1.00 0.00 +ATOM 528 HG2 LYS 33 44.070 40.550 15.600 1.00 0.00 +ATOM 529 CD LYS 33 43.240 41.180 13.730 1.00 0.00 +ATOM 530 HD1 LYS 33 42.210 41.060 14.070 1.00 0.00 +ATOM 531 HD2 LYS 33 43.300 40.910 12.680 1.00 0.00 +ATOM 532 CE LYS 33 43.660 42.640 13.900 1.00 0.00 +ATOM 533 HE1 LYS 33 44.700 42.740 13.600 1.00 0.00 +ATOM 534 HE2 LYS 33 43.590 42.900 14.950 1.00 0.00 +ATOM 535 NZ LYS 33 42.820 43.540 13.100 1.00 0.00 +ATOM 536 HZ1 LYS 33 43.110 44.500 13.220 1.00 0.00 +ATOM 537 HZ2 LYS 33 42.880 43.320 12.120 1.00 0.00 +ATOM 538 HZ3 LYS 33 41.850 43.480 13.370 1.00 0.00 +ATOM 539 C LYS 33 44.720 38.140 16.590 1.00 0.00 +ATOM 540 O LYS 33 45.720 38.700 17.060 1.00 0.00 +ATOM 541 N GLU 34 43.700 37.740 17.360 1.00 0.00 +ATOM 542 H GLU 34 42.880 37.380 16.900 1.00 0.00 +ATOM 543 CA GLU 34 43.720 37.790 18.810 1.00 0.00 +ATOM 544 HA GLU 34 43.960 38.810 19.120 1.00 0.00 +ATOM 545 CB GLU 34 42.330 37.440 19.330 1.00 0.00 +ATOM 546 HB1 GLU 34 42.080 36.430 19.020 1.00 0.00 +ATOM 547 HB2 GLU 34 41.600 38.120 18.880 1.00 0.00 +ATOM 548 CG GLU 34 42.200 37.520 20.850 1.00 0.00 +ATOM 549 HG1 GLU 34 42.850 36.770 21.300 1.00 0.00 +ATOM 550 HG2 GLU 34 41.180 37.240 21.120 1.00 0.00 +ATOM 551 CD GLU 34 42.510 38.900 21.410 1.00 0.00 +ATOM 552 OE1 GLU 34 43.430 39.020 22.250 1.00 0.00 +ATOM 553 OE2 GLU 34 41.850 39.880 21.030 1.00 0.00 +ATOM 554 C GLU 34 44.780 36.870 19.390 1.00 0.00 +ATOM 555 O GLU 34 45.480 37.240 20.330 1.00 0.00 +ATOM 556 N GLY 35 44.960 35.680 18.800 1.00 0.00 +ATOM 557 H GLY 35 44.330 35.430 18.050 1.00 0.00 +ATOM 558 CA GLY 35 45.970 34.710 19.170 1.00 0.00 +ATOM 559 HA1 GLY 35 46.820 35.220 19.610 1.00 0.00 +ATOM 560 HA2 GLY 35 46.300 34.200 18.270 1.00 0.00 +ATOM 561 C GLY 35 45.480 33.650 20.150 1.00 0.00 +ATOM 562 O GLY 35 46.290 32.880 20.660 1.00 0.00 +ATOM 563 N ILE 36 44.170 33.590 20.410 1.00 0.00 +ATOM 564 H ILE 36 43.560 34.210 19.900 1.00 0.00 +ATOM 565 CA ILE 36 43.550 32.540 21.210 1.00 0.00 +ATOM 566 HA ILE 36 44.200 32.380 22.070 1.00 0.00 +ATOM 567 CB ILE 36 42.190 32.960 21.750 1.00 0.00 +ATOM 568 HB ILE 36 41.730 32.070 22.180 1.00 0.00 +ATOM 569 CG2 ILE 36 42.380 33.950 22.890 1.00 0.00 +ATOM 570 1HG2 ILE 36 41.420 34.200 23.340 1.00 0.00 +ATOM 571 2HG2 ILE 36 43.010 33.510 23.670 1.00 0.00 +ATOM 572 3HG2 ILE 36 42.860 34.860 22.530 1.00 0.00 +ATOM 573 CG1 ILE 36 41.230 33.490 20.680 1.00 0.00 +ATOM 574 1HG1 ILE 36 41.210 32.780 19.850 1.00 0.00 +ATOM 575 2HG1 ILE 36 41.590 34.450 20.310 1.00 0.00 +ATOM 576 CD ILE 36 39.790 33.650 21.170 1.00 0.00 +ATOM 577 HD1 ILE 36 39.160 33.920 20.320 1.00 0.00 +ATOM 578 HD2 ILE 36 39.440 32.710 21.590 1.00 0.00 +ATOM 579 HD3 ILE 36 39.720 34.440 21.910 1.00 0.00 +ATOM 580 C ILE 36 43.450 31.230 20.430 1.00 0.00 +ATOM 581 O ILE 36 43.250 31.240 19.210 1.00 0.00 +ATOM 582 N PRO 37 43.540 30.090 21.120 1.00 0.00 +ATOM 583 CD PRO 37 44.150 29.890 22.420 1.00 0.00 +ATOM 584 HD1 PRO 37 43.450 30.220 23.190 1.00 0.00 +ATOM 585 HD2 PRO 37 45.080 30.460 22.490 1.00 0.00 +ATOM 586 CG PRO 37 44.430 28.400 22.530 1.00 0.00 +ATOM 587 HG1 PRO 37 44.380 28.070 23.570 1.00 0.00 +ATOM 588 HG2 PRO 37 45.420 28.190 22.100 1.00 0.00 +ATOM 589 CB PRO 37 43.340 27.780 21.660 1.00 0.00 +ATOM 590 HB1 PRO 37 42.430 27.690 22.250 1.00 0.00 +ATOM 591 HB2 PRO 37 43.650 26.810 21.270 1.00 0.00 +ATOM 592 CA PRO 37 43.160 28.810 20.550 1.00 0.00 +ATOM 593 HA PRO 37 43.850 28.580 19.740 1.00 0.00 +ATOM 594 C PRO 37 41.720 28.780 20.050 1.00 0.00 +ATOM 595 O PRO 37 40.860 29.430 20.660 1.00 0.00 +ATOM 596 N PRO 38 41.350 28.070 18.980 1.00 0.00 +ATOM 597 CD PRO 38 42.280 27.370 18.110 1.00 0.00 +ATOM 598 HD1 PRO 38 42.480 26.360 18.480 1.00 0.00 +ATOM 599 HD2 PRO 38 43.220 27.900 17.940 1.00 0.00 +ATOM 600 CG PRO 38 41.580 27.270 16.760 1.00 0.00 +ATOM 601 HG1 PRO 38 41.880 26.400 16.180 1.00 0.00 +ATOM 602 HG2 PRO 38 41.700 28.180 16.190 1.00 0.00 +ATOM 603 CB PRO 38 40.110 27.140 17.180 1.00 0.00 +ATOM 604 HB1 PRO 38 39.880 26.110 17.410 1.00 0.00 +ATOM 605 HB2 PRO 38 39.430 27.520 16.420 1.00 0.00 +ATOM 606 CA PRO 38 40.010 27.980 18.450 1.00 0.00 +ATOM 607 HA PRO 38 39.700 29.000 18.200 1.00 0.00 +ATOM 608 C PRO 38 39.010 27.410 19.450 1.00 0.00 +ATOM 609 O PRO 38 37.850 27.790 19.440 1.00 0.00 +ATOM 610 N ASP 39 39.420 26.420 20.260 1.00 0.00 +ATOM 611 H ASP 39 40.410 26.200 20.270 1.00 0.00 +ATOM 612 CA ASP 39 38.580 25.630 21.140 1.00 0.00 +ATOM 613 HA ASP 39 37.580 25.630 20.700 1.00 0.00 +ATOM 614 CB ASP 39 39.040 24.180 21.140 1.00 0.00 +ATOM 615 HB1 ASP 39 38.910 23.790 20.130 1.00 0.00 +ATOM 616 HB2 ASP 39 38.370 23.600 21.780 1.00 0.00 +ATOM 617 CG ASP 39 40.490 23.920 21.550 1.00 0.00 +ATOM 618 OD1 ASP 39 41.290 24.870 21.700 1.00 0.00 +ATOM 619 OD2 ASP 39 40.840 22.730 21.690 1.00 0.00 +ATOM 620 C ASP 39 38.420 26.230 22.530 1.00 0.00 +ATOM 621 O ASP 39 38.480 25.530 23.540 1.00 0.00 +ATOM 622 N GLN 40 38.180 27.550 22.570 1.00 0.00 +ATOM 623 H GLN 40 38.210 28.030 21.690 1.00 0.00 +ATOM 624 CA GLN 40 37.760 28.280 23.750 1.00 0.00 +ATOM 625 HA GLN 40 37.520 27.580 24.560 1.00 0.00 +ATOM 626 CB GLN 40 38.870 29.210 24.230 1.00 0.00 +ATOM 627 HB1 GLN 40 38.550 29.650 25.170 1.00 0.00 +ATOM 628 HB2 GLN 40 38.980 30.010 23.500 1.00 0.00 +ATOM 629 CG GLN 40 40.230 28.550 24.430 1.00 0.00 +ATOM 630 HG1 GLN 40 40.640 28.280 23.460 1.00 0.00 +ATOM 631 HG2 GLN 40 40.110 27.650 25.030 1.00 0.00 +ATOM 632 CD GLN 40 41.200 29.490 25.140 1.00 0.00 +ATOM 633 OE1 GLN 40 41.860 29.130 26.110 1.00 0.00 +ATOM 634 NE2 GLN 40 41.330 30.740 24.690 1.00 0.00 +ATOM 635 1HE2 GLN 40 40.770 31.060 23.910 1.00 0.00 +ATOM 636 2HE2 GLN 40 41.960 31.360 25.180 1.00 0.00 +ATOM 637 C GLN 40 36.510 29.120 23.500 1.00 0.00 +ATOM 638 O GLN 40 35.850 29.540 24.440 1.00 0.00 +ATOM 639 N GLN 41 36.200 29.350 22.220 1.00 0.00 +ATOM 640 H GLN 41 36.780 28.940 21.510 1.00 0.00 +ATOM 641 CA GLN 41 35.010 30.040 21.750 1.00 0.00 +ATOM 642 HA GLN 41 34.500 30.510 22.590 1.00 0.00 +ATOM 643 CB GLN 41 35.370 31.110 20.730 1.00 0.00 +ATOM 644 HB1 GLN 41 34.480 31.720 20.550 1.00 0.00 +ATOM 645 HB2 GLN 41 35.630 30.640 19.780 1.00 0.00 +ATOM 646 CG GLN 41 36.520 32.030 21.120 1.00 0.00 +ATOM 647 HG1 GLN 41 36.510 32.910 20.490 1.00 0.00 +ATOM 648 HG2 GLN 41 37.460 31.500 20.950 1.00 0.00 +ATOM 649 CD GLN 41 36.460 32.470 22.580 1.00 0.00 +ATOM 650 OE1 GLN 41 37.300 32.120 23.410 1.00 0.00 +ATOM 651 NE2 GLN 41 35.420 33.210 22.960 1.00 0.00 +ATOM 652 1HE2 GLN 41 34.750 33.510 22.270 1.00 0.00 +ATOM 653 2HE2 GLN 41 35.330 33.430 23.940 1.00 0.00 +ATOM 654 C GLN 41 34.090 28.990 21.140 1.00 0.00 +ATOM 655 O GLN 41 34.520 28.180 20.320 1.00 0.00 +ATOM 656 N ARG 42 32.810 29.000 21.530 1.00 0.00 +ATOM 657 H ARG 42 32.500 29.730 22.160 1.00 0.00 +ATOM 658 CA ARG 42 31.830 28.010 21.120 1.00 0.00 +ATOM 659 HA ARG 42 32.300 27.270 20.470 1.00 0.00 +ATOM 660 CB ARG 42 31.270 27.280 22.340 1.00 0.00 +ATOM 661 HB1 ARG 42 30.550 26.530 21.990 1.00 0.00 +ATOM 662 HB2 ARG 42 30.730 28.000 22.950 1.00 0.00 +ATOM 663 CG ARG 42 32.310 26.590 23.220 1.00 0.00 +ATOM 664 HG1 ARG 42 31.790 26.120 24.050 1.00 0.00 +ATOM 665 HG2 ARG 42 32.980 27.340 23.630 1.00 0.00 +ATOM 666 CD ARG 42 33.130 25.530 22.490 1.00 0.00 +ATOM 667 HD1 ARG 42 33.620 25.990 21.630 1.00 0.00 +ATOM 668 HD2 ARG 42 32.460 24.750 22.140 1.00 0.00 +ATOM 669 NE ARG 42 34.160 24.950 23.350 1.00 0.00 +ATOM 670 HE ARG 42 34.120 25.170 24.340 1.00 0.00 +ATOM 671 CZ ARG 42 35.140 24.130 22.970 1.00 0.00 +ATOM 672 NH1 ARG 42 35.290 23.760 21.690 1.00 0.00 +ATOM 673 1HH1 ARG 42 34.630 24.090 21.000 1.00 0.00 +ATOM 674 2HH1 ARG 42 36.010 23.100 21.430 1.00 0.00 +ATOM 675 NH2 ARG 42 36.010 23.650 23.860 1.00 0.00 +ATOM 676 1HH2 ARG 42 35.970 23.940 24.820 1.00 0.00 +ATOM 677 2HH2 ARG 42 36.790 23.070 23.550 1.00 0.00 +ATOM 678 C ARG 42 30.730 28.670 20.300 1.00 0.00 +ATOM 679 O ARG 42 30.290 29.770 20.610 1.00 0.00 +ATOM 680 N LEU 43 30.290 27.950 19.260 1.00 0.00 +ATOM 681 H LEU 43 30.720 27.060 19.070 1.00 0.00 +ATOM 682 CA LEU 43 29.120 28.320 18.490 1.00 0.00 +ATOM 683 HA LEU 43 29.230 29.350 18.140 1.00 0.00 +ATOM 684 CB LEU 43 28.960 27.410 17.280 1.00 0.00 +ATOM 685 HB1 LEU 43 27.930 27.480 16.940 1.00 0.00 +ATOM 686 HB2 LEU 43 29.130 26.370 17.580 1.00 0.00 +ATOM 687 CG LEU 43 29.850 27.740 16.070 1.00 0.00 +ATOM 688 HG LEU 43 29.550 28.710 15.680 1.00 0.00 +ATOM 689 CD1 LEU 43 31.340 27.770 16.360 1.00 0.00 +ATOM 690 1HD1 LEU 43 31.890 27.940 15.430 1.00 0.00 +ATOM 691 2HD1 LEU 43 31.570 28.600 17.040 1.00 0.00 +ATOM 692 3HD1 LEU 43 31.660 26.830 16.800 1.00 0.00 +ATOM 693 CD2 LEU 43 29.620 26.680 15.000 1.00 0.00 +ATOM 694 1HD2 LEU 43 30.200 26.920 14.110 1.00 0.00 +ATOM 695 2HD2 LEU 43 29.910 25.700 15.370 1.00 0.00 +ATOM 696 3HD2 LEU 43 28.560 26.650 14.730 1.00 0.00 +ATOM 697 C LEU 43 27.890 28.260 19.390 1.00 0.00 +ATOM 698 O LEU 43 27.770 27.380 20.250 1.00 0.00 +ATOM 699 N ILE 44 26.980 29.210 19.180 1.00 0.00 +ATOM 700 H ILE 44 27.210 29.930 18.510 1.00 0.00 +ATOM 701 CA ILE 44 25.760 29.390 19.950 1.00 0.00 +ATOM 702 HA ILE 44 25.760 28.710 20.800 1.00 0.00 +ATOM 703 CB ILE 44 25.670 30.810 20.500 1.00 0.00 +ATOM 704 HB ILE 44 25.660 31.500 19.650 1.00 0.00 +ATOM 705 CG2 ILE 44 24.370 30.990 21.280 1.00 0.00 +ATOM 706 1HG2 ILE 44 24.280 32.010 21.650 1.00 0.00 +ATOM 707 2HG2 ILE 44 23.510 30.810 20.640 1.00 0.00 +ATOM 708 3HG2 ILE 44 24.350 30.300 22.130 1.00 0.00 +ATOM 709 CG1 ILE 44 26.860 31.160 21.390 1.00 0.00 +ATOM 710 1HG1 ILE 44 27.790 30.860 20.900 1.00 0.00 +ATOM 711 2HG1 ILE 44 26.790 30.600 22.320 1.00 0.00 +ATOM 712 CD ILE 44 27.010 32.640 21.700 1.00 0.00 +ATOM 713 HD1 ILE 44 27.920 32.800 22.270 1.00 0.00 +ATOM 714 HD2 ILE 44 27.090 33.210 20.770 1.00 0.00 +ATOM 715 HD3 ILE 44 26.160 33.010 22.280 1.00 0.00 +ATOM 716 C ILE 44 24.590 29.040 19.050 1.00 0.00 +ATOM 717 O ILE 44 24.410 29.640 17.990 1.00 0.00 +ATOM 718 N PHE 45 23.760 28.090 19.490 1.00 0.00 +ATOM 719 H PHE 45 23.980 27.650 20.370 1.00 0.00 +ATOM 720 CA PHE 45 22.480 27.780 18.900 1.00 0.00 +ATOM 721 HA PHE 45 22.160 28.610 18.270 1.00 0.00 +ATOM 722 CB PHE 45 22.580 26.550 18.000 1.00 0.00 +ATOM 723 HB1 PHE 45 22.890 25.690 18.600 1.00 0.00 +ATOM 724 HB2 PHE 45 23.360 26.720 17.250 1.00 0.00 +ATOM 725 CG PHE 45 21.300 26.220 17.270 1.00 0.00 +ATOM 726 CD1 PHE 45 20.580 25.060 17.570 1.00 0.00 +ATOM 727 HD1 PHE 45 20.940 24.370 18.330 1.00 0.00 +ATOM 728 CE1 PHE 45 19.380 24.770 16.900 1.00 0.00 +ATOM 729 HE1 PHE 45 18.840 23.870 17.130 1.00 0.00 +ATOM 730 CZ PHE 45 18.890 25.660 15.940 1.00 0.00 +ATOM 731 HZ PHE 45 17.970 25.440 15.420 1.00 0.00 +ATOM 732 CE2 PHE 45 19.600 26.830 15.640 1.00 0.00 +ATOM 733 HE2 PHE 45 19.230 27.510 14.890 1.00 0.00 +ATOM 734 CD2 PHE 45 20.810 27.100 16.300 1.00 0.00 +ATOM 735 HD2 PHE 45 21.360 28.000 16.050 1.00 0.00 +ATOM 736 C PHE 45 21.440 27.610 20.000 1.00 0.00 +ATOM 737 O PHE 45 21.730 27.030 21.050 1.00 0.00 +ATOM 738 N ALA 46 20.250 28.170 19.810 1.00 0.00 +ATOM 739 H ALA 46 20.090 28.650 18.930 1.00 0.00 +ATOM 740 CA ALA 46 19.180 28.240 20.790 1.00 0.00 +ATOM 741 HA ALA 46 18.370 28.790 20.310 1.00 0.00 +ATOM 742 CB ALA 46 18.630 26.830 21.040 1.00 0.00 +ATOM 743 HB1 ALA 46 17.730 26.890 21.650 1.00 0.00 +ATOM 744 HB2 ALA 46 18.390 26.350 20.100 1.00 0.00 +ATOM 745 HB3 ALA 46 19.370 26.230 21.580 1.00 0.00 +ATOM 746 C ALA 46 19.500 29.030 22.040 1.00 0.00 +ATOM 747 O ALA 46 18.880 28.820 23.090 1.00 0.00 +ATOM 748 N GLY 47 20.460 29.960 21.980 1.00 0.00 +ATOM 749 H GLY 47 20.910 30.110 21.090 1.00 0.00 +ATOM 750 CA GLY 47 20.900 30.750 23.110 1.00 0.00 +ATOM 751 HA1 GLY 47 20.030 31.160 23.640 1.00 0.00 +ATOM 752 HA2 GLY 47 21.500 31.580 22.750 1.00 0.00 +ATOM 753 C GLY 47 21.750 29.980 24.120 1.00 0.00 +ATOM 754 O GLY 47 21.860 30.410 25.270 1.00 0.00 +ATOM 755 N LYS 48 22.340 28.860 23.700 1.00 0.00 +ATOM 756 H LYS 48 22.170 28.580 22.750 1.00 0.00 +ATOM 757 CA LYS 48 23.230 28.020 24.480 1.00 0.00 +ATOM 758 HA LYS 48 23.560 28.550 25.370 1.00 0.00 +ATOM 759 CB LYS 48 22.500 26.750 24.920 1.00 0.00 +ATOM 760 HB1 LYS 48 23.210 26.110 25.440 1.00 0.00 +ATOM 761 HB2 LYS 48 22.140 26.220 24.040 1.00 0.00 +ATOM 762 CG LYS 48 21.320 27.010 25.850 1.00 0.00 +ATOM 763 HG1 LYS 48 20.550 27.590 25.330 1.00 0.00 +ATOM 764 HG2 LYS 48 21.670 27.600 26.710 1.00 0.00 +ATOM 765 CD LYS 48 20.700 25.710 26.350 1.00 0.00 +ATOM 766 HD1 LYS 48 21.450 25.110 26.850 1.00 0.00 +ATOM 767 HD2 LYS 48 20.340 25.150 25.490 1.00 0.00 +ATOM 768 CE LYS 48 19.520 25.930 27.290 1.00 0.00 +ATOM 769 HE1 LYS 48 19.060 24.970 27.490 1.00 0.00 +ATOM 770 HE2 LYS 48 18.780 26.560 26.800 1.00 0.00 +ATOM 771 NZ LYS 48 19.920 26.550 28.570 1.00 0.00 +ATOM 772 HZ1 LYS 48 19.120 26.660 29.180 1.00 0.00 +ATOM 773 HZ2 LYS 48 20.600 25.970 29.060 1.00 0.00 +ATOM 774 HZ3 LYS 48 20.330 27.460 28.430 1.00 0.00 +ATOM 775 C LYS 48 24.460 27.680 23.660 1.00 0.00 +ATOM 776 O LYS 48 24.360 27.370 22.470 1.00 0.00 +ATOM 777 N GLN 49 25.640 27.730 24.280 1.00 0.00 +ATOM 778 H GLN 49 25.660 28.010 25.260 1.00 0.00 +ATOM 779 CA GLN 49 26.870 27.210 23.700 1.00 0.00 +ATOM 780 HA GLN 49 26.990 27.650 22.710 1.00 0.00 +ATOM 781 CB GLN 49 28.070 27.610 24.550 1.00 0.00 +ATOM 782 HB1 GLN 49 28.950 27.080 24.190 1.00 0.00 +ATOM 783 HB2 GLN 49 27.900 27.300 25.580 1.00 0.00 +ATOM 784 CG GLN 49 28.350 29.110 24.500 1.00 0.00 +ATOM 785 HG1 GLN 49 27.510 29.660 24.920 1.00 0.00 +ATOM 786 HG2 GLN 49 28.490 29.410 23.460 1.00 0.00 +ATOM 787 CD GLN 49 29.610 29.490 25.280 1.00 0.00 +ATOM 788 OE1 GLN 49 30.600 29.970 24.730 1.00 0.00 +ATOM 789 NE2 GLN 49 29.630 29.290 26.600 1.00 0.00 +ATOM 790 1HE2 GLN 49 28.840 28.880 27.070 1.00 0.00 +ATOM 791 2HE2 GLN 49 30.470 29.540 27.100 1.00 0.00 +ATOM 792 C GLN 49 26.790 25.700 23.540 1.00 0.00 +ATOM 793 O GLN 49 26.090 25.030 24.300 1.00 0.00 +ATOM 794 N LEU 50 27.500 25.150 22.560 1.00 0.00 +ATOM 795 H LEU 50 28.000 25.770 21.930 1.00 0.00 +ATOM 796 CA LEU 50 27.510 23.730 22.280 1.00 0.00 +ATOM 797 HA LEU 50 26.470 23.440 22.110 1.00 0.00 +ATOM 798 CB LEU 50 28.260 23.450 20.980 1.00 0.00 +ATOM 799 HB1 LEU 50 27.820 24.090 20.210 1.00 0.00 +ATOM 800 HB2 LEU 50 28.050 22.420 20.680 1.00 0.00 +ATOM 801 CG LEU 50 29.770 23.660 21.030 1.00 0.00 +ATOM 802 HG LEU 50 30.020 24.350 21.840 1.00 0.00 +ATOM 803 CD1 LEU 50 30.540 22.370 21.240 1.00 0.00 +ATOM 804 1HD1 LEU 50 31.610 22.570 21.260 1.00 0.00 +ATOM 805 2HD1 LEU 50 30.270 21.910 22.190 1.00 0.00 +ATOM 806 3HD1 LEU 50 30.330 21.660 20.430 1.00 0.00 +ATOM 807 CD2 LEU 50 30.260 24.290 19.730 1.00 0.00 +ATOM 808 1HD2 LEU 50 31.340 24.460 19.780 1.00 0.00 +ATOM 809 2HD2 LEU 50 30.030 23.640 18.890 1.00 0.00 +ATOM 810 3HD2 LEU 50 29.760 25.250 19.590 1.00 0.00 +ATOM 811 C LEU 50 28.010 22.890 23.450 1.00 0.00 +ATOM 812 O LEU 50 28.890 23.290 24.210 1.00 0.00 +ATOM 813 N GLU 51 27.450 21.680 23.580 1.00 0.00 +ATOM 814 H GLU 51 26.770 21.410 22.880 1.00 0.00 +ATOM 815 CA GLU 51 27.870 20.660 24.520 1.00 0.00 +ATOM 816 HA GLU 51 28.630 21.060 25.190 1.00 0.00 +ATOM 817 CB GLU 51 26.700 20.180 25.370 1.00 0.00 +ATOM 818 HB1 GLU 51 27.050 19.400 26.040 1.00 0.00 +ATOM 819 HB2 GLU 51 25.940 19.760 24.720 1.00 0.00 +ATOM 820 CG GLU 51 26.040 21.270 26.220 1.00 0.00 +ATOM 821 HG1 GLU 51 25.730 22.090 25.560 1.00 0.00 +ATOM 822 HG2 GLU 51 26.790 21.670 26.910 1.00 0.00 +ATOM 823 CD GLU 51 24.830 20.800 27.010 1.00 0.00 +ATOM 824 OE1 GLU 51 24.460 19.600 26.940 1.00 0.00 +ATOM 825 OE2 GLU 51 24.210 21.630 27.690 1.00 0.00 +ATOM 826 C GLU 51 28.500 19.490 23.770 1.00 0.00 +ATOM 827 O GLU 51 28.110 19.180 22.650 1.00 0.00 +ATOM 828 N ASP 52 29.450 18.790 24.400 1.00 0.00 +ATOM 829 H ASP 52 29.680 19.020 25.360 1.00 0.00 +ATOM 830 CA ASP 52 30.200 17.720 23.780 1.00 0.00 +ATOM 831 HA ASP 52 30.260 17.910 22.710 1.00 0.00 +ATOM 832 CB ASP 52 31.640 17.720 24.300 1.00 0.00 +ATOM 833 HB1 ASP 52 32.080 18.690 24.060 1.00 0.00 +ATOM 834 HB2 ASP 52 32.210 16.970 23.750 1.00 0.00 +ATOM 835 CG ASP 52 31.820 17.500 25.800 1.00 0.00 +ATOM 836 OD1 ASP 52 30.830 17.410 26.560 1.00 0.00 +ATOM 837 OD2 ASP 52 32.990 17.410 26.230 1.00 0.00 +ATOM 838 C ASP 52 29.550 16.350 23.930 1.00 0.00 +ATOM 839 O ASP 52 30.050 15.370 23.390 1.00 0.00 +ATOM 840 N GLY 53 28.420 16.270 24.630 1.00 0.00 +ATOM 841 H GLY 53 28.090 17.130 25.070 1.00 0.00 +ATOM 842 CA GLY 53 27.580 15.100 24.740 1.00 0.00 +ATOM 843 HA1 GLY 53 27.070 15.130 25.710 1.00 0.00 +ATOM 844 HA2 GLY 53 28.190 14.200 24.710 1.00 0.00 +ATOM 845 C GLY 53 26.510 14.980 23.660 1.00 0.00 +ATOM 846 O GLY 53 25.840 13.960 23.580 1.00 0.00 +ATOM 847 N ARG 54 26.330 16.020 22.840 1.00 0.00 +ATOM 848 H ARG 54 26.940 16.810 22.950 1.00 0.00 +ATOM 849 CA ARG 54 25.330 16.080 21.790 1.00 0.00 +ATOM 850 HA ARG 54 24.370 15.820 22.220 1.00 0.00 +ATOM 851 CB ARG 54 25.230 17.490 21.200 1.00 0.00 +ATOM 852 HB1 ARG 54 24.540 17.470 20.360 1.00 0.00 +ATOM 853 HB2 ARG 54 26.210 17.800 20.840 1.00 0.00 +ATOM 854 CG ARG 54 24.710 18.490 22.230 1.00 0.00 +ATOM 855 HG1 ARG 54 25.400 18.500 23.070 1.00 0.00 +ATOM 856 HG2 ARG 54 23.730 18.160 22.590 1.00 0.00 +ATOM 857 CD ARG 54 24.580 19.910 21.680 1.00 0.00 +ATOM 858 HD1 ARG 54 23.840 19.910 20.880 1.00 0.00 +ATOM 859 HD2 ARG 54 25.540 20.220 21.270 1.00 0.00 +ATOM 860 NE ARG 54 24.170 20.830 22.730 1.00 0.00 +ATOM 861 HE ARG 54 24.040 20.450 23.650 1.00 0.00 +ATOM 862 CZ ARG 54 23.900 22.140 22.600 1.00 0.00 +ATOM 863 NH1 ARG 54 23.980 22.770 21.420 1.00 0.00 +ATOM 864 1HH1 ARG 54 24.200 22.230 20.590 1.00 0.00 +ATOM 865 2HH1 ARG 54 23.740 23.740 21.350 1.00 0.00 +ATOM 866 NH2 ARG 54 23.560 22.880 23.660 1.00 0.00 +ATOM 867 1HH2 ARG 54 23.490 22.460 24.580 1.00 0.00 +ATOM 868 2HH2 ARG 54 23.420 23.870 23.550 1.00 0.00 +ATOM 869 C ARG 54 25.610 15.060 20.690 1.00 0.00 +ATOM 870 O ARG 54 26.750 14.840 20.300 1.00 0.00 +ATOM 871 N THR 55 24.530 14.490 20.150 1.00 0.00 +ATOM 872 H THR 55 23.630 14.760 20.530 1.00 0.00 +ATOM 873 CA THR 55 24.520 13.610 19.000 1.00 0.00 +ATOM 874 HA THR 55 25.540 13.390 18.680 1.00 0.00 +ATOM 875 CB THR 55 23.830 12.280 19.310 1.00 0.00 +ATOM 876 HB THR 55 22.760 12.450 19.440 1.00 0.00 +ATOM 877 CG2 THR 55 24.050 11.240 18.220 1.00 0.00 +ATOM 878 1HG2 THR 55 23.540 10.310 18.490 1.00 0.00 +ATOM 879 2HG2 THR 55 23.650 11.590 17.270 1.00 0.00 +ATOM 880 3HG2 THR 55 25.120 11.040 18.110 1.00 0.00 +ATOM 881 OG1 THR 55 24.340 11.720 20.500 1.00 0.00 +ATOM 882 HG1 THR 55 23.810 10.940 20.690 1.00 0.00 +ATOM 883 C THR 55 23.790 14.320 17.860 1.00 0.00 +ATOM 884 O THR 55 22.770 14.950 18.100 1.00 0.00 +ATOM 885 N LEU 56 24.280 14.210 16.620 1.00 0.00 +ATOM 886 H LEU 56 25.110 13.650 16.470 1.00 0.00 +ATOM 887 CA LEU 56 23.760 14.990 15.520 1.00 0.00 +ATOM 888 HA LEU 56 23.770 16.030 15.840 1.00 0.00 +ATOM 889 CB LEU 56 24.700 14.860 14.320 1.00 0.00 +ATOM 890 HB1 LEU 56 24.640 13.840 13.940 1.00 0.00 +ATOM 891 HB2 LEU 56 25.720 15.030 14.670 1.00 0.00 +ATOM 892 CG LEU 56 24.430 15.830 13.180 1.00 0.00 +ATOM 893 HG LEU 56 23.420 15.670 12.790 1.00 0.00 +ATOM 894 CD1 LEU 56 24.580 17.300 13.570 1.00 0.00 +ATOM 895 1HD1 LEU 56 24.440 17.930 12.700 1.00 0.00 +ATOM 896 2HD1 LEU 56 23.820 17.570 14.310 1.00 0.00 +ATOM 897 3HD1 LEU 56 25.570 17.470 13.990 1.00 0.00 +ATOM 898 CD2 LEU 56 25.410 15.560 12.040 1.00 0.00 +ATOM 899 1HD2 LEU 56 25.210 16.240 11.210 1.00 0.00 +ATOM 900 2HD2 LEU 56 26.430 15.690 12.380 1.00 0.00 +ATOM 901 3HD2 LEU 56 25.280 14.540 11.680 1.00 0.00 +ATOM 902 C LEU 56 22.310 14.650 15.170 1.00 0.00 +ATOM 903 O LEU 56 21.600 15.510 14.650 1.00 0.00 +ATOM 904 N SER 57 21.840 13.460 15.520 1.00 0.00 +ATOM 905 H SER 57 22.460 12.810 15.980 1.00 0.00 +ATOM 906 CA SER 57 20.450 13.040 15.380 1.00 0.00 +ATOM 907 HA SER 57 20.160 13.150 14.340 1.00 0.00 +ATOM 908 CB SER 57 20.330 11.570 15.750 1.00 0.00 +ATOM 909 HB1 SER 57 20.850 10.970 15.010 1.00 0.00 +ATOM 910 HB2 SER 57 19.270 11.280 15.740 1.00 0.00 +ATOM 911 OG SER 57 20.870 11.310 17.020 1.00 0.00 +ATOM 912 HG SER 57 20.630 10.410 17.270 1.00 0.00 +ATOM 913 C SER 57 19.470 13.860 16.220 1.00 0.00 +ATOM 914 O SER 57 18.380 14.170 15.750 1.00 0.00 +ATOM 915 N ASP 58 19.860 14.240 17.440 1.00 0.00 +ATOM 916 H ASP 58 20.790 13.960 17.730 1.00 0.00 +ATOM 917 CA ASP 58 19.050 14.970 18.400 1.00 0.00 +ATOM 918 HA ASP 58 18.020 14.980 18.050 1.00 0.00 +ATOM 919 CB ASP 58 19.050 14.240 19.740 1.00 0.00 +ATOM 920 HB1 ASP 58 18.430 14.810 20.440 1.00 0.00 +ATOM 921 HB2 ASP 58 20.070 14.250 20.130 1.00 0.00 +ATOM 922 CG ASP 58 18.540 12.810 19.730 1.00 0.00 +ATOM 923 OD1 ASP 58 18.790 12.100 20.730 1.00 0.00 +ATOM 924 OD2 ASP 58 17.820 12.380 18.800 1.00 0.00 +ATOM 925 C ASP 58 19.450 16.430 18.560 1.00 0.00 +ATOM 926 O ASP 58 18.760 17.180 19.250 1.00 0.00 +ATOM 927 N TYR 59 20.530 16.860 17.910 1.00 0.00 +ATOM 928 H TYR 59 21.060 16.160 17.400 1.00 0.00 +ATOM 929 CA TYR 59 20.990 18.230 17.840 1.00 0.00 +ATOM 930 HA TYR 59 20.550 18.800 18.660 1.00 0.00 +ATOM 931 CB TYR 59 22.510 18.250 18.010 1.00 0.00 +ATOM 932 HB1 TYR 59 22.950 17.650 17.220 1.00 0.00 +ATOM 933 HB2 TYR 59 22.740 17.760 18.960 1.00 0.00 +ATOM 934 CG TYR 59 23.210 19.590 18.020 1.00 0.00 +ATOM 935 CD1 TYR 59 24.590 19.610 17.810 1.00 0.00 +ATOM 936 HD1 TYR 59 25.120 18.690 17.620 1.00 0.00 +ATOM 937 CE1 TYR 59 25.300 20.820 17.850 1.00 0.00 +ATOM 938 HE1 TYR 59 26.370 20.840 17.690 1.00 0.00 +ATOM 939 CZ TYR 59 24.620 22.030 18.080 1.00 0.00 +ATOM 940 OH TYR 59 25.300 23.210 18.140 1.00 0.00 +ATOM 941 HH TYR 59 24.710 23.960 18.250 1.00 0.00 +ATOM 942 CE2 TYR 59 23.220 22.010 18.290 1.00 0.00 +ATOM 943 HE2 TYR 59 22.690 22.930 18.470 1.00 0.00 +ATOM 944 CD2 TYR 59 22.530 20.790 18.260 1.00 0.00 +ATOM 945 HD2 TYR 59 21.460 20.800 18.440 1.00 0.00 +ATOM 946 C TYR 59 20.530 18.860 16.530 1.00 0.00 +ATOM 947 O TYR 59 19.710 19.780 16.540 1.00 0.00 +ATOM 948 N ASN 60 21.000 18.290 15.420 1.00 0.00 +ATOM 949 H ASN 60 21.640 17.520 15.550 1.00 0.00 +ATOM 950 CA ASN 60 20.680 18.580 14.030 1.00 0.00 +ATOM 951 HA ASN 60 21.260 17.870 13.440 1.00 0.00 +ATOM 952 CB ASN 60 19.210 18.240 13.770 1.00 0.00 +ATOM 953 HB1 ASN 60 18.580 18.990 14.250 1.00 0.00 +ATOM 954 HB2 ASN 60 18.980 17.270 14.210 1.00 0.00 +ATOM 955 CG ASN 60 18.850 18.170 12.290 1.00 0.00 +ATOM 956 OD1 ASN 60 19.690 18.150 11.400 1.00 0.00 +ATOM 957 ND2 ASN 60 17.550 18.120 11.990 1.00 0.00 +ATOM 958 1HD2 ASN 60 16.860 18.130 12.720 1.00 0.00 +ATOM 959 2HD2 ASN 60 17.290 18.060 11.010 1.00 0.00 +ATOM 960 C ASN 60 21.090 19.970 13.580 1.00 0.00 +ATOM 961 O ASN 60 20.500 20.980 13.950 1.00 0.00 +ATOM 962 N ILE 61 22.100 20.020 12.700 1.00 0.00 +ATOM 963 H ILE 61 22.490 19.140 12.390 1.00 0.00 +ATOM 964 CA ILE 61 22.510 21.220 11.990 1.00 0.00 +ATOM 965 HA ILE 61 22.140 22.100 12.520 1.00 0.00 +ATOM 966 CB ILE 61 24.030 21.340 11.930 1.00 0.00 +ATOM 967 HB ILE 61 24.420 20.500 11.350 1.00 0.00 +ATOM 968 CG2 ILE 61 24.450 22.620 11.200 1.00 0.00 +ATOM 969 1HG2 ILE 61 25.530 22.690 11.170 1.00 0.00 +ATOM 970 2HG2 ILE 61 24.090 22.610 10.170 1.00 0.00 +ATOM 971 3HG2 ILE 61 24.040 23.500 11.700 1.00 0.00 +ATOM 972 CG1 ILE 61 24.700 21.280 13.300 1.00 0.00 +ATOM 973 1HG1 ILE 61 25.780 21.350 13.160 1.00 0.00 +ATOM 974 2HG1 ILE 61 24.510 20.300 13.740 1.00 0.00 +ATOM 975 CD ILE 61 24.280 22.340 14.300 1.00 0.00 +ATOM 976 HD1 ILE 61 24.820 22.180 15.240 1.00 0.00 +ATOM 977 HD2 ILE 61 24.520 23.340 13.940 1.00 0.00 +ATOM 978 HD3 ILE 61 23.210 22.280 14.510 1.00 0.00 +ATOM 979 C ILE 61 21.860 21.190 10.610 1.00 0.00 +ATOM 980 O ILE 61 22.020 20.230 9.860 1.00 0.00 +ATOM 981 N GLN 62 21.120 22.250 10.290 1.00 0.00 +ATOM 982 H GLN 62 21.090 23.020 10.950 1.00 0.00 +ATOM 983 CA GLN 62 20.400 22.430 9.040 1.00 0.00 +ATOM 984 HA GLN 62 20.720 21.660 8.330 1.00 0.00 +ATOM 985 CB GLN 62 18.900 22.270 9.260 1.00 0.00 +ATOM 986 HB1 GLN 62 18.400 22.370 8.300 1.00 0.00 +ATOM 987 HB2 GLN 62 18.540 23.070 9.910 1.00 0.00 +ATOM 988 CG GLN 62 18.500 20.920 9.850 1.00 0.00 +ATOM 989 HG1 GLN 62 18.830 20.860 10.890 1.00 0.00 +ATOM 990 HG2 GLN 62 18.970 20.120 9.290 1.00 0.00 +ATOM 991 CD GLN 62 16.990 20.720 9.830 1.00 0.00 +ATOM 992 OE1 GLN 62 16.220 21.420 10.490 1.00 0.00 +ATOM 993 NE2 GLN 62 16.480 19.770 9.040 1.00 0.00 +ATOM 994 1HE2 GLN 62 17.080 19.200 8.460 1.00 0.00 +ATOM 995 2HE2 GLN 62 15.470 19.670 9.010 1.00 0.00 +ATOM 996 C GLN 62 20.740 23.770 8.420 1.00 0.00 +ATOM 997 O GLN 62 21.360 24.630 9.040 1.00 0.00 +ATOM 998 N LYS 63 20.320 23.960 7.170 1.00 0.00 +ATOM 999 H LYS 63 19.800 23.220 6.720 1.00 0.00 +ATOM 1000 CA LYS 63 20.520 25.190 6.420 1.00 0.00 +ATOM 1001 HA LYS 63 21.600 25.370 6.400 1.00 0.00 +ATOM 1002 CB LYS 63 20.070 25.020 4.970 1.00 0.00 +ATOM 1003 HB1 LYS 63 20.670 24.210 4.550 1.00 0.00 +ATOM 1004 HB2 LYS 63 20.300 25.920 4.410 1.00 0.00 +ATOM 1005 CG LYS 63 18.600 24.650 4.750 1.00 0.00 +ATOM 1006 HG1 LYS 63 18.230 24.040 5.580 1.00 0.00 +ATOM 1007 HG2 LYS 63 18.550 24.040 3.850 1.00 0.00 +ATOM 1008 CD LYS 63 17.690 25.860 4.560 1.00 0.00 +ATOM 1009 HD1 LYS 63 18.050 26.460 3.720 1.00 0.00 +ATOM 1010 HD2 LYS 63 17.670 26.470 5.460 1.00 0.00 +ATOM 1011 CE LYS 63 16.260 25.390 4.250 1.00 0.00 +ATOM 1012 HE1 LYS 63 15.910 24.770 5.070 1.00 0.00 +ATOM 1013 HE2 LYS 63 16.280 24.780 3.350 1.00 0.00 +ATOM 1014 NZ LYS 63 15.360 26.540 4.060 1.00 0.00 +ATOM 1015 HZ1 LYS 63 14.420 26.230 3.870 1.00 0.00 +ATOM 1016 HZ2 LYS 63 15.340 27.130 4.880 1.00 0.00 +ATOM 1017 HZ3 LYS 63 15.660 27.120 3.290 1.00 0.00 +ATOM 1018 C LYS 63 19.900 26.400 7.100 1.00 0.00 +ATOM 1019 O LYS 63 18.880 26.290 7.790 1.00 0.00 +ATOM 1020 N GLU 64 20.520 27.570 6.890 1.00 0.00 +ATOM 1021 H GLU 64 21.330 27.540 6.290 1.00 0.00 +ATOM 1022 CA GLU 64 20.100 28.850 7.420 1.00 0.00 +ATOM 1023 HA GLU 64 20.880 29.570 7.140 1.00 0.00 +ATOM 1024 CB GLU 64 18.820 29.320 6.740 1.00 0.00 +ATOM 1025 HB1 GLU 64 18.530 30.300 7.150 1.00 0.00 +ATOM 1026 HB2 GLU 64 18.010 28.620 6.970 1.00 0.00 +ATOM 1027 CG GLU 64 18.950 29.470 5.230 1.00 0.00 +ATOM 1028 HG1 GLU 64 19.180 28.500 4.790 1.00 0.00 +ATOM 1029 HG2 GLU 64 19.790 30.130 5.020 1.00 0.00 +ATOM 1030 CD GLU 64 17.670 30.000 4.610 1.00 0.00 +ATOM 1031 OE1 GLU 64 17.710 31.110 4.030 1.00 0.00 +ATOM 1032 OE2 GLU 64 16.640 29.310 4.650 1.00 0.00 +ATOM 1033 C GLU 64 20.050 28.920 8.940 1.00 0.00 +ATOM 1034 O GLU 64 19.400 29.800 9.500 1.00 0.00 +ATOM 1035 N SER 65 20.750 28.030 9.640 1.00 0.00 +ATOM 1036 H SER 65 21.280 27.330 9.130 1.00 0.00 +ATOM 1037 CA SER 65 20.900 28.090 11.080 1.00 0.00 +ATOM 1038 HA SER 65 19.920 28.210 11.530 1.00 0.00 +ATOM 1039 CB SER 65 21.510 26.790 11.600 1.00 0.00 +ATOM 1040 HB1 SER 65 22.510 26.650 11.190 1.00 0.00 +ATOM 1041 HB2 SER 65 20.880 25.950 11.300 1.00 0.00 +ATOM 1042 OG SER 65 21.570 26.820 13.010 1.00 0.00 +ATOM 1043 HG SER 65 21.960 26.000 13.310 1.00 0.00 +ATOM 1044 C SER 65 21.770 29.290 11.440 1.00 0.00 +ATOM 1045 O SER 65 22.890 29.410 10.950 1.00 0.00 +ATOM 1046 N THR 66 21.250 30.200 12.270 1.00 0.00 +ATOM 1047 H THR 66 20.310 30.080 12.620 1.00 0.00 +ATOM 1048 CA THR 66 22.030 31.280 12.830 1.00 0.00 +ATOM 1049 HA THR 66 22.620 31.720 12.030 1.00 0.00 +ATOM 1050 CB THR 66 21.180 32.400 13.420 1.00 0.00 +ATOM 1051 HB THR 66 21.810 33.060 14.010 1.00 0.00 +ATOM 1052 CG2 THR 66 20.520 33.220 12.320 1.00 0.00 +ATOM 1053 1HG2 THR 66 19.930 34.030 12.770 1.00 0.00 +ATOM 1054 2HG2 THR 66 21.290 33.660 11.680 1.00 0.00 +ATOM 1055 3HG2 THR 66 19.870 32.590 11.720 1.00 0.00 +ATOM 1056 OG1 THR 66 20.150 31.890 14.240 1.00 0.00 +ATOM 1057 HG1 THR 66 19.720 32.650 14.650 1.00 0.00 +ATOM 1058 C THR 66 23.010 30.750 13.870 1.00 0.00 +ATOM 1059 O THR 66 22.660 29.970 14.750 1.00 0.00 +ATOM 1060 N LEU 67 24.260 31.200 13.750 1.00 0.00 +ATOM 1061 H LEU 67 24.470 31.830 12.980 1.00 0.00 +ATOM 1062 CA LEU 67 25.380 30.840 14.600 1.00 0.00 +ATOM 1063 HA LEU 67 25.020 30.390 15.520 1.00 0.00 +ATOM 1064 CB LEU 67 26.300 29.860 13.880 1.00 0.00 +ATOM 1065 HB1 LEU 67 27.160 29.660 14.520 1.00 0.00 +ATOM 1066 HB2 LEU 67 26.680 30.350 12.980 1.00 0.00 +ATOM 1067 CG LEU 67 25.660 28.530 13.480 1.00 0.00 +ATOM 1068 HG LEU 67 24.730 28.710 12.950 1.00 0.00 +ATOM 1069 CD1 LEU 67 26.600 27.790 12.530 1.00 0.00 +ATOM 1070 1HD1 LEU 67 26.170 26.830 12.260 1.00 0.00 +ATOM 1071 2HD1 LEU 67 26.740 28.380 11.630 1.00 0.00 +ATOM 1072 3HD1 LEU 67 27.570 27.630 13.000 1.00 0.00 +ATOM 1073 CD2 LEU 67 25.380 27.640 14.690 1.00 0.00 +ATOM 1074 1HD2 LEU 67 24.930 26.710 14.350 1.00 0.00 +ATOM 1075 2HD2 LEU 67 26.300 27.430 15.230 1.00 0.00 +ATOM 1076 3HD2 LEU 67 24.670 28.140 15.350 1.00 0.00 +ATOM 1077 C LEU 67 26.130 32.120 14.950 1.00 0.00 +ATOM 1078 O LEU 67 26.330 32.990 14.110 1.00 0.00 +ATOM 1079 N HIS 68 26.570 32.210 16.210 1.00 0.00 +ATOM 1080 H HIS 68 26.390 31.430 16.830 1.00 0.00 +ATOM 1081 CA HIS 68 27.390 33.290 16.710 1.00 0.00 +ATOM 1082 HA HIS 68 27.910 33.770 15.880 1.00 0.00 +ATOM 1083 CB HIS 68 26.510 34.330 17.390 1.00 0.00 +ATOM 1084 HB1 HIS 68 25.990 33.870 18.240 1.00 0.00 +ATOM 1085 HB2 HIS 68 25.750 34.660 16.680 1.00 0.00 +ATOM 1086 CG HIS 68 27.240 35.550 17.880 1.00 0.00 +ATOM 1087 ND1 HIS 68 27.770 35.710 19.160 1.00 0.00 +ATOM 1088 CE1 HIS 68 28.280 36.950 19.200 1.00 0.00 +ATOM 1089 HE1 HIS 68 28.740 37.400 20.070 1.00 0.00 +ATOM 1090 NE2 HIS 68 28.100 37.570 18.020 1.00 0.00 +ATOM 1091 HE2 HIS 68 28.380 38.520 17.810 1.00 0.00 +ATOM 1092 CD2 HIS 68 27.450 36.700 17.170 1.00 0.00 +ATOM 1093 HD2 HIS 68 27.140 36.900 16.160 1.00 0.00 +ATOM 1094 C HIS 68 28.440 32.700 17.640 1.00 0.00 +ATOM 1095 O HIS 68 28.190 31.690 18.310 1.00 0.00 +ATOM 1096 N LEU 69 29.620 33.310 17.660 1.00 0.00 +ATOM 1097 H LEU 69 29.740 34.120 17.070 1.00 0.00 +ATOM 1098 CA LEU 69 30.700 33.020 18.590 1.00 0.00 +ATOM 1099 HA LEU 69 30.260 32.560 19.470 1.00 0.00 +ATOM 1100 CB LEU 69 31.700 32.030 18.020 1.00 0.00 +ATOM 1101 HB1 LEU 69 31.190 31.080 17.830 1.00 0.00 +ATOM 1102 HB2 LEU 69 32.430 31.840 18.820 1.00 0.00 +ATOM 1103 CG LEU 69 32.470 32.430 16.760 1.00 0.00 +ATOM 1104 HG LEU 69 32.810 33.460 16.840 1.00 0.00 +ATOM 1105 CD1 LEU 69 33.700 31.540 16.610 1.00 0.00 +ATOM 1106 1HD1 LEU 69 34.290 31.880 15.760 1.00 0.00 +ATOM 1107 2HD1 LEU 69 34.330 31.610 17.500 1.00 0.00 +ATOM 1108 3HD1 LEU 69 33.380 30.510 16.440 1.00 0.00 +ATOM 1109 CD2 LEU 69 31.670 32.250 15.480 1.00 0.00 +ATOM 1110 1HD2 LEU 69 32.280 32.550 14.620 1.00 0.00 +ATOM 1111 2HD2 LEU 69 31.360 31.210 15.360 1.00 0.00 +ATOM 1112 3HD2 LEU 69 30.790 32.890 15.480 1.00 0.00 +ATOM 1113 C LEU 69 31.310 34.350 19.020 1.00 0.00 +ATOM 1114 O LEU 69 31.530 35.250 18.220 1.00 0.00 +ATOM 1115 N VAL 70 31.580 34.450 20.330 1.00 0.00 +ATOM 1116 H VAL 70 31.380 33.660 20.920 1.00 0.00 +ATOM 1117 CA VAL 70 32.170 35.630 20.930 1.00 0.00 +ATOM 1118 HA VAL 70 31.830 36.500 20.360 1.00 0.00 +ATOM 1119 CB VAL 70 31.700 35.840 22.370 1.00 0.00 +ATOM 1120 HB VAL 70 32.150 36.760 22.740 1.00 0.00 +ATOM 1121 CG1 VAL 70 30.190 36.010 22.430 1.00 0.00 +ATOM 1122 1HG1 VAL 70 29.880 36.190 23.460 1.00 0.00 +ATOM 1123 2HG1 VAL 70 29.900 36.880 21.840 1.00 0.00 +ATOM 1124 3HG1 VAL 70 29.680 35.130 22.060 1.00 0.00 +ATOM 1125 CG2 VAL 70 32.120 34.710 23.300 1.00 0.00 +ATOM 1126 1HG2 VAL 70 31.760 34.910 24.310 1.00 0.00 +ATOM 1127 2HG2 VAL 70 31.700 33.760 22.960 1.00 0.00 +ATOM 1128 3HG2 VAL 70 33.200 34.640 23.340 1.00 0.00 +ATOM 1129 C VAL 70 33.690 35.580 20.820 1.00 0.00 +ATOM 1130 O VAL 70 34.280 34.510 20.700 1.00 0.00 +ATOM 1131 N LEU 71 34.330 36.750 20.920 1.00 0.00 +ATOM 1132 H LEU 71 33.770 37.580 21.050 1.00 0.00 +ATOM 1133 CA LEU 71 35.740 36.880 21.190 1.00 0.00 +ATOM 1134 HA LEU 71 36.240 35.930 20.990 1.00 0.00 +ATOM 1135 CB LEU 71 36.340 37.960 20.290 1.00 0.00 +ATOM 1136 HB1 LEU 71 35.970 38.930 20.620 1.00 0.00 +ATOM 1137 HB2 LEU 71 35.990 37.810 19.270 1.00 0.00 +ATOM 1138 CG LEU 71 37.860 37.980 20.300 1.00 0.00 +ATOM 1139 HG LEU 71 38.230 37.880 21.330 1.00 0.00 +ATOM 1140 CD1 LEU 71 38.430 36.840 19.460 1.00 0.00 +ATOM 1141 1HD1 LEU 71 39.520 36.860 19.480 1.00 0.00 +ATOM 1142 2HD1 LEU 71 38.090 35.880 19.830 1.00 0.00 +ATOM 1143 3HD1 LEU 71 38.100 36.970 18.420 1.00 0.00 +ATOM 1144 CD2 LEU 71 38.370 39.290 19.720 1.00 0.00 +ATOM 1145 1HD2 LEU 71 39.460 39.290 19.710 1.00 0.00 +ATOM 1146 2HD2 LEU 71 38.000 39.420 18.710 1.00 0.00 +ATOM 1147 3HD2 LEU 71 38.030 40.120 20.340 1.00 0.00 +ATOM 1148 C LEU 71 35.900 37.200 22.670 1.00 0.00 +ATOM 1149 O LEU 71 35.430 38.240 23.130 1.00 0.00 +ATOM 1150 N ARG 72 36.500 36.280 23.440 1.00 0.00 +ATOM 1151 H ARG 72 36.870 35.460 23.000 1.00 0.00 +ATOM 1152 CA ARG 72 36.580 36.370 24.880 1.00 0.00 +ATOM 1153 HA ARG 72 36.580 37.430 25.170 1.00 0.00 +ATOM 1154 CB ARG 72 35.360 35.710 25.500 1.00 0.00 +ATOM 1155 HB1 ARG 72 35.430 34.630 25.380 1.00 0.00 +ATOM 1156 HB2 ARG 72 34.480 36.050 24.950 1.00 0.00 +ATOM 1157 CG ARG 72 35.150 36.030 26.980 1.00 0.00 +ATOM 1158 HG1 ARG 72 35.170 37.110 27.120 1.00 0.00 +ATOM 1159 HG2 ARG 72 35.970 35.590 27.550 1.00 0.00 +ATOM 1160 CD ARG 72 33.830 35.480 27.510 1.00 0.00 +ATOM 1161 HD1 ARG 72 33.820 35.610 28.590 1.00 0.00 +ATOM 1162 HD2 ARG 72 33.790 34.410 27.290 1.00 0.00 +ATOM 1163 NE ARG 72 32.670 36.150 26.930 1.00 0.00 +ATOM 1164 HE ARG 72 32.840 36.990 26.400 1.00 0.00 +ATOM 1165 CZ ARG 72 31.390 35.770 27.060 1.00 0.00 +ATOM 1166 NH1 ARG 72 31.030 34.700 27.770 1.00 0.00 +ATOM 1167 1HH1 ARG 72 31.740 34.160 28.250 1.00 0.00 +ATOM 1168 2HH1 ARG 72 30.060 34.440 27.850 1.00 0.00 +ATOM 1169 NH2 ARG 72 30.420 36.470 26.460 1.00 0.00 +ATOM 1170 1HH2 ARG 72 30.640 37.300 25.930 1.00 0.00 +ATOM 1171 2HH2 ARG 72 29.460 36.180 26.570 1.00 0.00 +ATOM 1172 C ARG 72 37.890 35.770 25.380 1.00 0.00 +ATOM 1173 O ARG 72 38.380 34.780 24.840 1.00 0.00 +ATOM 1174 N LEU 73 38.430 36.360 26.450 1.00 0.00 +ATOM 1175 H LEU 73 37.950 37.170 26.830 1.00 0.00 +ATOM 1176 CA LEU 73 39.520 35.830 27.240 1.00 0.00 +ATOM 1177 HA LEU 73 39.700 34.790 26.960 1.00 0.00 +ATOM 1178 CB LEU 73 40.820 36.600 27.010 1.00 0.00 +ATOM 1179 HB1 LEU 73 41.550 36.180 27.700 1.00 0.00 +ATOM 1180 HB2 LEU 73 40.690 37.650 27.280 1.00 0.00 +ATOM 1181 CG LEU 73 41.390 36.500 25.600 1.00 0.00 +ATOM 1182 HG LEU 73 41.150 35.520 25.180 1.00 0.00 +ATOM 1183 CD1 LEU 73 40.870 37.590 24.660 1.00 0.00 +ATOM 1184 1HD1 LEU 73 41.340 37.480 23.680 1.00 0.00 +ATOM 1185 2HD1 LEU 73 39.790 37.500 24.530 1.00 0.00 +ATOM 1186 3HD1 LEU 73 41.100 38.570 25.070 1.00 0.00 +ATOM 1187 CD2 LEU 73 42.910 36.630 25.640 1.00 0.00 +ATOM 1188 1HD2 LEU 73 43.320 36.590 24.620 1.00 0.00 +ATOM 1189 2HD2 LEU 73 43.190 37.580 26.090 1.00 0.00 +ATOM 1190 3HD2 LEU 73 43.340 35.810 26.210 1.00 0.00 +ATOM 1191 C LEU 73 39.090 35.870 28.700 1.00 0.00 +ATOM 1192 O LEU 73 38.510 36.860 29.150 1.00 0.00 +ATOM 1193 N ARG 74 39.360 34.790 29.430 1.00 0.00 +ATOM 1194 H ARG 74 39.940 34.080 29.010 1.00 0.00 +ATOM 1195 CA ARG 74 39.090 34.650 30.840 1.00 0.00 +ATOM 1196 HA ARG 74 38.830 35.630 31.260 1.00 0.00 +ATOM 1197 CB ARG 74 37.930 33.700 31.120 1.00 0.00 +ATOM 1198 HB1 ARG 74 37.770 33.680 32.200 1.00 0.00 +ATOM 1199 HB2 ARG 74 38.210 32.690 30.830 1.00 0.00 +ATOM 1200 CG ARG 74 36.600 34.070 30.470 1.00 0.00 +ATOM 1201 HG1 ARG 74 36.650 35.060 30.010 1.00 0.00 +ATOM 1202 HG2 ARG 74 35.840 34.130 31.250 1.00 0.00 +ATOM 1203 CD ARG 74 36.110 33.050 29.440 1.00 0.00 +ATOM 1204 HD1 ARG 74 35.130 33.380 29.090 1.00 0.00 +ATOM 1205 HD2 ARG 74 35.990 32.090 29.930 1.00 0.00 +ATOM 1206 NE ARG 74 37.020 32.910 28.300 1.00 0.00 +ATOM 1207 HE ARG 74 37.920 33.350 28.400 1.00 0.00 +ATOM 1208 CZ ARG 74 36.810 32.220 27.180 1.00 0.00 +ATOM 1209 NH1 ARG 74 35.680 31.560 26.930 1.00 0.00 +ATOM 1210 1HH1 ARG 74 34.950 31.550 27.620 1.00 0.00 +ATOM 1211 2HH1 ARG 74 35.610 30.970 26.110 1.00 0.00 +ATOM 1212 NH2 ARG 74 37.760 32.160 26.230 1.00 0.00 +ATOM 1213 1HH2 ARG 74 38.630 32.660 26.330 1.00 0.00 +ATOM 1214 2HH2 ARG 74 37.530 31.820 25.310 1.00 0.00 +ATOM 1215 C ARG 74 40.360 34.200 31.550 1.00 0.00 +ATOM 1216 O ARG 74 41.250 33.630 30.930 1.00 0.00 +ATOM 1217 N GLY 75 40.440 34.470 32.860 1.00 0.00 +ATOM 1218 H GLY 75 39.670 34.950 33.300 1.00 0.00 +ATOM 1219 CA GLY 75 41.520 33.980 33.700 1.00 0.00 +ATOM 1220 HA1 GLY 75 41.480 34.500 34.660 1.00 0.00 +ATOM 1221 HA2 GLY 75 42.480 34.210 33.240 1.00 0.00 +ATOM 1222 C GLY 75 41.460 32.480 33.970 1.00 0.00 +ATOM 1223 O GLY 75 40.660 31.750 33.390 1.00 0.00 +ATOM 1224 N GLY 76 42.330 32.020 34.870 1.00 0.00 +ATOM 1225 H GLY 76 42.940 32.690 35.320 1.00 0.00 +ATOM 1226 CA GLY 76 42.420 30.640 35.310 1.00 0.00 +ATOM 1227 HA1 GLY 76 42.880 30.040 34.520 1.00 0.00 +ATOM 1228 HA2 GLY 76 41.430 30.250 35.510 1.00 0.00 +ATOM 1229 C GLY 76 43.250 30.490 36.580 1.00 0.00 +ATOM 1230 OC1 GLY 76 42.830 31.030 37.630 1.00 0.00 +ATOM 1231 OC2 GLY 76 44.320 29.840 36.510 1.00 0.00 +TER +ENDMDL +ATOM 1 N MET 1 23.870 24.100 -0.060 1.00 0.00 +ATOM 2 H1 MET 1 24.370 24.710 -0.680 1.00 0.00 +ATOM 3 H2 MET 1 24.550 23.510 0.410 1.00 0.00 +ATOM 4 H3 MET 1 23.260 23.510 -0.600 1.00 0.00 +ATOM 5 CA MET 1 23.120 24.880 0.930 1.00 0.00 +ATOM 6 HA MET 1 22.370 25.470 0.390 1.00 0.00 +ATOM 7 CB MET 1 22.390 23.990 1.930 1.00 0.00 +ATOM 8 HB1 MET 1 22.300 24.480 2.900 1.00 0.00 +ATOM 9 HB2 MET 1 22.940 23.060 2.090 1.00 0.00 +ATOM 10 CG MET 1 20.970 23.660 1.450 1.00 0.00 +ATOM 11 HG1 MET 1 20.520 22.980 2.170 1.00 0.00 +ATOM 12 HG2 MET 1 21.030 23.160 0.490 1.00 0.00 +ATOM 13 SD MET 1 19.890 25.110 1.290 1.00 0.00 +ATOM 14 CE MET 1 18.370 24.260 0.780 1.00 0.00 +ATOM 15 HE1 MET 1 17.580 24.990 0.630 1.00 0.00 +ATOM 16 HE2 MET 1 18.540 23.730 -0.160 1.00 0.00 +ATOM 17 HE3 MET 1 18.070 23.550 1.550 1.00 0.00 +ATOM 18 C MET 1 24.010 25.900 1.630 1.00 0.00 +ATOM 19 O MET 1 25.210 25.940 1.390 1.00 0.00 +ATOM 20 N GLN 2 23.410 26.750 2.470 1.00 0.00 +ATOM 21 H GLN 2 22.420 26.640 2.640 1.00 0.00 +ATOM 22 CA GLN 2 24.090 27.770 3.240 1.00 0.00 +ATOM 23 HA GLN 2 25.170 27.630 3.140 1.00 0.00 +ATOM 24 CB GLN 2 23.750 29.160 2.720 1.00 0.00 +ATOM 25 HB1 GLN 2 24.020 29.210 1.660 1.00 0.00 +ATOM 26 HB2 GLN 2 24.360 29.890 3.250 1.00 0.00 +ATOM 27 CG GLN 2 22.280 29.550 2.880 1.00 0.00 +ATOM 28 HG1 GLN 2 22.010 29.530 3.940 1.00 0.00 +ATOM 29 HG2 GLN 2 21.650 28.830 2.360 1.00 0.00 +ATOM 30 CD GLN 2 21.950 30.940 2.350 1.00 0.00 +ATOM 31 OE1 GLN 2 22.800 31.710 1.910 1.00 0.00 +ATOM 32 NE2 GLN 2 20.680 31.340 2.360 1.00 0.00 +ATOM 33 1HE2 GLN 2 19.950 30.760 2.750 1.00 0.00 +ATOM 34 2HE2 GLN 2 20.470 32.260 2.010 1.00 0.00 +ATOM 35 C GLN 2 23.790 27.660 4.730 1.00 0.00 +ATOM 36 O GLN 2 22.760 27.130 5.140 1.00 0.00 +ATOM 37 N ILE 3 24.680 28.230 5.560 1.00 0.00 +ATOM 38 H ILE 3 25.480 28.680 5.140 1.00 0.00 +ATOM 39 CA ILE 3 24.510 28.420 6.980 1.00 0.00 +ATOM 40 HA ILE 3 23.450 28.320 7.240 1.00 0.00 +ATOM 41 CB ILE 3 25.290 27.390 7.800 1.00 0.00 +ATOM 42 HB ILE 3 26.360 27.590 7.660 1.00 0.00 +ATOM 43 CG2 ILE 3 24.970 27.560 9.280 1.00 0.00 +ATOM 44 1HG2 ILE 3 25.570 26.880 9.880 1.00 0.00 +ATOM 45 2HG2 ILE 3 25.200 28.560 9.620 1.00 0.00 +ATOM 46 3HG2 ILE 3 23.910 27.350 9.460 1.00 0.00 +ATOM 47 CG1 ILE 3 25.000 25.960 7.340 1.00 0.00 +ATOM 48 1HG1 ILE 3 25.320 25.850 6.310 1.00 0.00 +ATOM 49 2HG1 ILE 3 23.930 25.790 7.380 1.00 0.00 +ATOM 50 CD ILE 3 25.700 24.860 8.140 1.00 0.00 +ATOM 51 HD1 ILE 3 25.510 23.910 7.640 1.00 0.00 +ATOM 52 HD2 ILE 3 26.770 25.040 8.170 1.00 0.00 +ATOM 53 HD3 ILE 3 25.300 24.800 9.150 1.00 0.00 +ATOM 54 C ILE 3 24.930 29.850 7.280 1.00 0.00 +ATOM 55 O ILE 3 25.910 30.330 6.710 1.00 0.00 +ATOM 56 N PHE 4 24.200 30.560 8.140 1.00 0.00 +ATOM 57 H PHE 4 23.440 30.110 8.640 1.00 0.00 +ATOM 58 CA PHE 4 24.570 31.900 8.540 1.00 0.00 +ATOM 59 HA PHE 4 25.080 32.390 7.710 1.00 0.00 +ATOM 60 CB PHE 4 23.340 32.750 8.870 1.00 0.00 +ATOM 61 HB1 PHE 4 23.680 33.750 9.140 1.00 0.00 +ATOM 62 HB2 PHE 4 22.840 32.330 9.730 1.00 0.00 +ATOM 63 CG PHE 4 22.360 32.890 7.720 1.00 0.00 +ATOM 64 CD1 PHE 4 21.000 32.620 7.930 1.00 0.00 +ATOM 65 HD1 PHE 4 20.650 32.330 8.920 1.00 0.00 +ATOM 66 CE1 PHE 4 20.100 32.720 6.870 1.00 0.00 +ATOM 67 HE1 PHE 4 19.050 32.530 7.040 1.00 0.00 +ATOM 68 CZ PHE 4 20.550 33.070 5.590 1.00 0.00 +ATOM 69 HZ PHE 4 19.850 33.130 4.770 1.00 0.00 +ATOM 70 CE2 PHE 4 21.900 33.350 5.380 1.00 0.00 +ATOM 71 HE2 PHE 4 22.250 33.630 4.400 1.00 0.00 +ATOM 72 CD2 PHE 4 22.810 33.270 6.450 1.00 0.00 +ATOM 73 HD2 PHE 4 23.850 33.500 6.280 1.00 0.00 +ATOM 74 C PHE 4 25.550 31.870 9.700 1.00 0.00 +ATOM 75 O PHE 4 25.260 31.360 10.780 1.00 0.00 +ATOM 76 N VAL 5 26.720 32.480 9.480 1.00 0.00 +ATOM 77 H VAL 5 26.890 32.900 8.570 1.00 0.00 +ATOM 78 CA VAL 5 27.800 32.560 10.440 1.00 0.00 +ATOM 79 HA VAL 5 27.530 32.010 11.340 1.00 0.00 +ATOM 80 CB VAL 5 29.100 31.960 9.900 1.00 0.00 +ATOM 81 HB VAL 5 29.570 32.680 9.230 1.00 0.00 +ATOM 82 CG1 VAL 5 30.070 31.670 11.040 1.00 0.00 +ATOM 83 1HG1 VAL 5 31.000 31.270 10.640 1.00 0.00 +ATOM 84 2HG1 VAL 5 30.290 32.590 11.580 1.00 0.00 +ATOM 85 3HG1 VAL 5 29.630 30.950 11.730 1.00 0.00 +ATOM 86 CG2 VAL 5 28.880 30.670 9.110 1.00 0.00 +ATOM 87 1HG2 VAL 5 29.840 30.290 8.760 1.00 0.00 +ATOM 88 2HG2 VAL 5 28.370 29.930 9.730 1.00 0.00 +ATOM 89 3HG2 VAL 5 28.270 30.860 8.220 1.00 0.00 +ATOM 90 C VAL 5 27.990 34.030 10.800 1.00 0.00 +ATOM 91 O VAL 5 28.090 34.880 9.920 1.00 0.00 +ATOM 92 N LYS 6 28.000 34.340 12.100 1.00 0.00 +ATOM 93 H LYS 6 27.870 33.600 12.770 1.00 0.00 +ATOM 94 CA LYS 6 28.170 35.680 12.620 1.00 0.00 +ATOM 95 HA LYS 6 28.520 36.340 11.820 1.00 0.00 +ATOM 96 CB LYS 6 26.850 36.230 13.150 1.00 0.00 +ATOM 97 HB1 LYS 6 27.010 37.260 13.460 1.00 0.00 +ATOM 98 HB2 LYS 6 26.560 35.660 14.030 1.00 0.00 +ATOM 99 CG LYS 6 25.720 36.190 12.130 1.00 0.00 +ATOM 100 HG1 LYS 6 25.470 35.160 11.890 1.00 0.00 +ATOM 101 HG2 LYS 6 26.040 36.700 11.220 1.00 0.00 +ATOM 102 CD LYS 6 24.460 36.880 12.670 1.00 0.00 +ATOM 103 HD1 LYS 6 24.690 37.920 12.900 1.00 0.00 +ATOM 104 HD2 LYS 6 24.150 36.370 13.590 1.00 0.00 +ATOM 105 CE LYS 6 23.340 36.810 11.640 1.00 0.00 +ATOM 106 HE1 LYS 6 23.130 35.770 11.420 1.00 0.00 +ATOM 107 HE2 LYS 6 23.680 37.290 10.730 1.00 0.00 +ATOM 108 NZ LYS 6 22.120 37.480 12.130 1.00 0.00 +ATOM 109 HZ1 LYS 6 21.380 37.430 11.440 1.00 0.00 +ATOM 110 HZ2 LYS 6 21.780 37.040 12.980 1.00 0.00 +ATOM 111 HZ3 LYS 6 22.290 38.450 12.330 1.00 0.00 +ATOM 112 C LYS 6 29.260 35.680 13.690 1.00 0.00 +ATOM 113 O LYS 6 29.530 34.660 14.310 1.00 0.00 +ATOM 114 N THR 7 29.870 36.850 13.910 1.00 0.00 +ATOM 115 H THR 7 29.590 37.650 13.350 1.00 0.00 +ATOM 116 CA THR 7 30.980 37.050 14.820 1.00 0.00 +ATOM 117 HA THR 7 31.120 36.160 15.440 1.00 0.00 +ATOM 118 CB THR 7 32.270 37.290 14.050 1.00 0.00 +ATOM 119 HB THR 7 33.060 37.560 14.750 1.00 0.00 +ATOM 120 CG2 THR 7 32.720 36.060 13.270 1.00 0.00 +ATOM 121 1HG2 THR 7 33.660 36.260 12.760 1.00 0.00 +ATOM 122 2HG2 THR 7 32.870 35.230 13.970 1.00 0.00 +ATOM 123 3HG2 THR 7 31.970 35.770 12.540 1.00 0.00 +ATOM 124 OG1 THR 7 32.090 38.360 13.140 1.00 0.00 +ATOM 125 HG1 THR 7 32.930 38.480 12.680 1.00 0.00 +ATOM 126 C THR 7 30.690 38.210 15.770 1.00 0.00 +ATOM 127 O THR 7 29.750 38.970 15.550 1.00 0.00 +ATOM 128 N LEU 8 31.490 38.370 16.820 1.00 0.00 +ATOM 129 H LEU 8 32.220 37.690 16.990 1.00 0.00 +ATOM 130 CA LEU 8 31.310 39.430 17.800 1.00 0.00 +ATOM 131 HA LEU 8 30.320 39.290 18.230 1.00 0.00 +ATOM 132 CB LEU 8 32.360 39.300 18.900 1.00 0.00 +ATOM 133 HB1 LEU 8 33.340 39.480 18.460 1.00 0.00 +ATOM 134 HB2 LEU 8 32.350 38.280 19.280 1.00 0.00 +ATOM 135 CG LEU 8 32.140 40.270 20.050 1.00 0.00 +ATOM 136 HG LEU 8 32.090 41.290 19.670 1.00 0.00 +ATOM 137 CD1 LEU 8 30.860 39.980 20.830 1.00 0.00 +ATOM 138 1HD1 LEU 8 30.780 40.670 21.670 1.00 0.00 +ATOM 139 2HD1 LEU 8 29.990 40.120 20.190 1.00 0.00 +ATOM 140 3HD1 LEU 8 30.880 38.950 21.200 1.00 0.00 +ATOM 141 CD2 LEU 8 33.310 40.220 21.030 1.00 0.00 +ATOM 142 1HD2 LEU 8 33.150 40.960 21.820 1.00 0.00 +ATOM 143 2HD2 LEU 8 33.390 39.230 21.480 1.00 0.00 +ATOM 144 3HD2 LEU 8 34.230 40.480 20.500 1.00 0.00 +ATOM 145 C LEU 8 31.350 40.820 17.180 1.00 0.00 +ATOM 146 O LEU 8 30.580 41.700 17.580 1.00 0.00 +ATOM 147 N THR 9 32.230 41.030 16.200 1.00 0.00 +ATOM 148 H THR 9 32.800 40.260 15.890 1.00 0.00 +ATOM 149 CA THR 9 32.370 42.280 15.490 1.00 0.00 +ATOM 150 HA THR 9 32.570 43.080 16.210 1.00 0.00 +ATOM 151 CB THR 9 33.550 42.220 14.520 1.00 0.00 +ATOM 152 HB THR 9 33.580 43.130 13.920 1.00 0.00 +ATOM 153 CG2 THR 9 34.880 42.090 15.260 1.00 0.00 +ATOM 154 1HG2 THR 9 35.700 42.080 14.540 1.00 0.00 +ATOM 155 2HG2 THR 9 35.010 42.930 15.930 1.00 0.00 +ATOM 156 3HG2 THR 9 34.910 41.160 15.830 1.00 0.00 +ATOM 157 OG1 THR 9 33.440 41.110 13.660 1.00 0.00 +ATOM 158 HG1 THR 9 34.190 41.140 13.070 1.00 0.00 +ATOM 159 C THR 9 31.120 42.670 14.710 1.00 0.00 +ATOM 160 O THR 9 30.860 43.860 14.520 1.00 0.00 +ATOM 161 N GLY 10 30.320 41.690 14.300 1.00 0.00 +ATOM 162 H GLY 10 30.610 40.740 14.510 1.00 0.00 +ATOM 163 CA GLY 10 29.070 41.850 13.590 1.00 0.00 +ATOM 164 HA1 GLY 10 28.670 42.850 13.750 1.00 0.00 +ATOM 165 HA2 GLY 10 28.350 41.130 13.990 1.00 0.00 +ATOM 166 C GLY 10 29.180 41.610 12.090 1.00 0.00 +ATOM 167 O GLY 10 28.290 42.010 11.340 1.00 0.00 +ATOM 168 N LYS 11 30.260 40.970 11.640 1.00 0.00 +ATOM 169 H LYS 11 30.930 40.640 12.320 1.00 0.00 +ATOM 170 CA LYS 11 30.450 40.570 10.260 1.00 0.00 +ATOM 171 HA LYS 11 30.000 41.330 9.610 1.00 0.00 +ATOM 172 CB LYS 11 31.950 40.520 9.950 1.00 0.00 +ATOM 173 HB1 LYS 11 32.410 39.710 10.500 1.00 0.00 +ATOM 174 HB2 LYS 11 32.390 41.470 10.270 1.00 0.00 +ATOM 175 CG LYS 11 32.210 40.340 8.460 1.00 0.00 +ATOM 176 HG1 LYS 11 31.720 41.140 7.900 1.00 0.00 +ATOM 177 HG2 LYS 11 31.780 39.390 8.130 1.00 0.00 +ATOM 178 CD LYS 11 33.690 40.330 8.100 1.00 0.00 +ATOM 179 HD1 LYS 11 33.790 40.110 7.040 1.00 0.00 +ATOM 180 HD2 LYS 11 34.190 39.530 8.660 1.00 0.00 +ATOM 181 CE LYS 11 34.370 41.670 8.400 1.00 0.00 +ATOM 182 HE1 LYS 11 34.320 41.860 9.470 1.00 0.00 +ATOM 183 HE2 LYS 11 33.820 42.460 7.880 1.00 0.00 +ATOM 184 NZ LYS 11 35.770 41.680 7.970 1.00 0.00 +ATOM 185 HZ1 LYS 11 36.200 42.580 8.150 1.00 0.00 +ATOM 186 HZ2 LYS 11 36.300 40.990 8.470 1.00 0.00 +ATOM 187 HZ3 LYS 11 35.850 41.510 6.970 1.00 0.00 +ATOM 188 C LYS 11 29.740 39.250 10.000 1.00 0.00 +ATOM 189 O LYS 11 30.070 38.240 10.620 1.00 0.00 +ATOM 190 N THR 12 28.770 39.260 9.090 1.00 0.00 +ATOM 191 H THR 12 28.540 40.130 8.630 1.00 0.00 +ATOM 192 CA THR 12 28.110 38.050 8.640 1.00 0.00 +ATOM 193 HA THR 12 28.070 37.340 9.470 1.00 0.00 +ATOM 194 CB THR 12 26.660 38.290 8.210 1.00 0.00 +ATOM 195 HB THR 12 26.650 38.930 7.330 1.00 0.00 +ATOM 196 CG2 THR 12 25.920 36.990 7.920 1.00 0.00 +ATOM 197 1HG2 THR 12 24.890 37.210 7.630 1.00 0.00 +ATOM 198 2HG2 THR 12 26.400 36.460 7.090 1.00 0.00 +ATOM 199 3HG2 THR 12 25.920 36.350 8.800 1.00 0.00 +ATOM 200 OG1 THR 12 25.950 38.930 9.250 1.00 0.00 +ATOM 201 HG1 THR 12 25.090 39.150 8.900 1.00 0.00 +ATOM 202 C THR 12 28.920 37.430 7.520 1.00 0.00 +ATOM 203 O THR 12 29.200 38.080 6.510 1.00 0.00 +ATOM 204 N ILE 13 29.300 36.160 7.690 1.00 0.00 +ATOM 205 H ILE 13 28.980 35.680 8.520 1.00 0.00 +ATOM 206 CA ILE 13 29.990 35.350 6.710 1.00 0.00 +ATOM 207 HA ILE 13 30.280 35.960 5.850 1.00 0.00 +ATOM 208 CB ILE 13 31.270 34.750 7.300 1.00 0.00 +ATOM 209 HB ILE 13 30.990 34.110 8.130 1.00 0.00 +ATOM 210 CG2 ILE 13 31.990 33.870 6.280 1.00 0.00 +ATOM 211 1HG2 ILE 13 32.910 33.470 6.710 1.00 0.00 +ATOM 212 2HG2 ILE 13 31.360 33.020 6.000 1.00 0.00 +ATOM 213 3HG2 ILE 13 32.230 34.430 5.380 1.00 0.00 +ATOM 214 CG1 ILE 13 32.230 35.800 7.860 1.00 0.00 +ATOM 215 1HG1 ILE 13 33.080 35.280 8.310 1.00 0.00 +ATOM 216 2HG1 ILE 13 31.730 36.340 8.660 1.00 0.00 +ATOM 217 CD ILE 13 32.780 36.810 6.860 1.00 0.00 +ATOM 218 HD1 ILE 13 33.440 37.500 7.380 1.00 0.00 +ATOM 219 HD2 ILE 13 33.360 36.310 6.080 1.00 0.00 +ATOM 220 HD3 ILE 13 31.970 37.380 6.400 1.00 0.00 +ATOM 221 C ILE 13 29.010 34.290 6.220 1.00 0.00 +ATOM 222 O ILE 13 28.430 33.550 7.010 1.00 0.00 +ATOM 223 N THR 14 28.800 34.230 4.900 1.00 0.00 +ATOM 224 H THR 14 29.290 34.850 4.280 1.00 0.00 +ATOM 225 CA THR 14 28.000 33.180 4.300 1.00 0.00 +ATOM 226 HA THR 14 27.180 32.930 4.980 1.00 0.00 +ATOM 227 CB THR 14 27.340 33.620 2.990 1.00 0.00 +ATOM 228 HB THR 14 26.900 32.760 2.500 1.00 0.00 +ATOM 229 CG2 THR 14 26.240 34.650 3.260 1.00 0.00 +ATOM 230 1HG2 THR 14 25.760 34.930 2.320 1.00 0.00 +ATOM 231 2HG2 THR 14 25.490 34.210 3.920 1.00 0.00 +ATOM 232 3HG2 THR 14 26.660 35.540 3.730 1.00 0.00 +ATOM 233 OG1 THR 14 28.270 34.230 2.120 1.00 0.00 +ATOM 234 HG1 THR 14 27.810 34.420 1.300 1.00 0.00 +ATOM 235 C THR 14 28.830 31.920 4.110 1.00 0.00 +ATOM 236 O THR 14 29.990 31.970 3.720 1.00 0.00 +ATOM 237 N LEU 15 28.210 30.770 4.400 1.00 0.00 +ATOM 238 H LEU 15 27.250 30.810 4.730 1.00 0.00 +ATOM 239 CA LEU 15 28.770 29.460 4.160 1.00 0.00 +ATOM 240 HA LEU 15 29.840 29.560 3.990 1.00 0.00 +ATOM 241 CB LEU 15 28.550 28.610 5.410 1.00 0.00 +ATOM 242 HB1 LEU 15 27.500 28.320 5.440 1.00 0.00 +ATOM 243 HB2 LEU 15 28.750 29.220 6.290 1.00 0.00 +ATOM 244 CG LEU 15 29.410 27.360 5.480 1.00 0.00 +ATOM 245 HG LEU 15 29.310 26.800 4.550 1.00 0.00 +ATOM 246 CD1 LEU 15 30.890 27.680 5.720 1.00 0.00 +ATOM 247 1HD1 LEU 15 31.450 26.760 5.840 1.00 0.00 +ATOM 248 2HD1 LEU 15 31.300 28.240 4.880 1.00 0.00 +ATOM 249 3HD1 LEU 15 30.990 28.280 6.630 1.00 0.00 +ATOM 250 CD2 LEU 15 28.930 26.460 6.620 1.00 0.00 +ATOM 251 1HD2 LEU 15 29.570 25.580 6.700 1.00 0.00 +ATOM 252 2HD2 LEU 15 28.950 27.010 7.570 1.00 0.00 +ATOM 253 3HD2 LEU 15 27.920 26.130 6.410 1.00 0.00 +ATOM 254 C LEU 15 28.140 28.860 2.900 1.00 0.00 +ATOM 255 O LEU 15 26.970 29.120 2.620 1.00 0.00 +ATOM 256 N GLU 16 28.910 28.080 2.140 1.00 0.00 +ATOM 257 H GLU 16 29.880 27.960 2.390 1.00 0.00 +ATOM 258 CA GLU 16 28.450 27.460 0.910 1.00 0.00 +ATOM 259 HA GLU 16 27.390 27.660 0.770 1.00 0.00 +ATOM 260 CB GLU 16 29.180 28.070 -0.290 1.00 0.00 +ATOM 261 HB1 GLU 16 28.840 27.560 -1.200 1.00 0.00 +ATOM 262 HB2 GLU 16 30.250 27.890 -0.180 1.00 0.00 +ATOM 263 CG GLU 16 28.930 29.560 -0.470 1.00 0.00 +ATOM 264 HG1 GLU 16 29.350 30.110 0.370 1.00 0.00 +ATOM 265 HG2 GLU 16 27.860 29.740 -0.490 1.00 0.00 +ATOM 266 CD GLU 16 29.560 30.070 -1.760 1.00 0.00 +ATOM 267 OE1 GLU 16 30.800 30.060 -1.890 1.00 0.00 +ATOM 268 OE2 GLU 16 28.820 30.510 -2.670 1.00 0.00 +ATOM 269 C GLU 16 28.580 25.940 0.900 1.00 0.00 +ATOM 270 O GLU 16 28.190 25.290 -0.070 1.00 0.00 +ATOM 271 N VAL 17 29.100 25.350 1.980 1.00 0.00 +ATOM 272 H VAL 17 29.340 25.930 2.760 1.00 0.00 +ATOM 273 CA VAL 17 29.180 23.910 2.170 1.00 0.00 +ATOM 274 HA VAL 17 29.190 23.440 1.190 1.00 0.00 +ATOM 275 CB VAL 17 30.480 23.480 2.860 1.00 0.00 +ATOM 276 HB VAL 17 30.470 22.390 2.920 1.00 0.00 +ATOM 277 CG1 VAL 17 31.690 23.880 2.030 1.00 0.00 +ATOM 278 1HG1 VAL 17 32.600 23.500 2.510 1.00 0.00 +ATOM 279 2HG1 VAL 17 31.620 23.450 1.030 1.00 0.00 +ATOM 280 3HG1 VAL 17 31.760 24.970 1.950 1.00 0.00 +ATOM 281 CG2 VAL 17 30.640 24.030 4.270 1.00 0.00 +ATOM 282 1HG2 VAL 17 31.550 23.620 4.720 1.00 0.00 +ATOM 283 2HG2 VAL 17 30.730 25.120 4.250 1.00 0.00 +ATOM 284 3HG2 VAL 17 29.800 23.730 4.890 1.00 0.00 +ATOM 285 C VAL 17 27.950 23.380 2.880 1.00 0.00 +ATOM 286 O VAL 17 27.210 24.110 3.540 1.00 0.00 +ATOM 287 N GLU 18 27.690 22.080 2.740 1.00 0.00 +ATOM 288 H GLU 18 28.340 21.510 2.200 1.00 0.00 +ATOM 289 CA GLU 18 26.530 21.410 3.290 1.00 0.00 +ATOM 290 HA GLU 18 25.660 21.960 2.930 1.00 0.00 +ATOM 291 CB GLU 18 26.410 19.990 2.760 1.00 0.00 +ATOM 292 HB1 GLU 18 26.440 20.030 1.670 1.00 0.00 +ATOM 293 HB2 GLU 18 25.440 19.600 3.070 1.00 0.00 +ATOM 294 CG GLU 18 27.500 19.030 3.250 1.00 0.00 +ATOM 295 HG1 GLU 18 27.430 18.920 4.330 1.00 0.00 +ATOM 296 HG2 GLU 18 28.480 19.460 3.020 1.00 0.00 +ATOM 297 CD GLU 18 27.370 17.660 2.610 1.00 0.00 +ATOM 298 OE1 GLU 18 28.280 17.260 1.850 1.00 0.00 +ATOM 299 OE2 GLU 18 26.380 16.950 2.870 1.00 0.00 +ATOM 300 C GLU 18 26.500 21.430 4.820 1.00 0.00 +ATOM 301 O GLU 18 27.540 21.260 5.460 1.00 0.00 +ATOM 302 N PRO 19 25.320 21.490 5.450 1.00 0.00 +ATOM 303 CD PRO 19 24.090 22.010 4.880 1.00 0.00 +ATOM 304 HD1 PRO 19 23.600 21.240 4.290 1.00 0.00 +ATOM 305 HD2 PRO 19 24.260 22.900 4.280 1.00 0.00 +ATOM 306 CG PRO 19 23.210 22.380 6.070 1.00 0.00 +ATOM 307 HG1 PRO 19 22.150 22.260 5.840 1.00 0.00 +ATOM 308 HG2 PRO 19 23.420 23.390 6.400 1.00 0.00 +ATOM 309 CB PRO 19 23.650 21.380 7.140 1.00 0.00 +ATOM 310 HB1 PRO 19 23.080 20.460 7.030 1.00 0.00 +ATOM 311 HB2 PRO 19 23.520 21.780 8.150 1.00 0.00 +ATOM 312 CA PRO 19 25.130 21.140 6.850 1.00 0.00 +ATOM 313 HA PRO 19 25.740 21.810 7.450 1.00 0.00 +ATOM 314 C PRO 19 25.550 19.700 7.110 1.00 0.00 +ATOM 315 O PRO 19 24.940 18.770 6.590 1.00 0.00 +ATOM 316 N SER 20 26.590 19.550 7.940 1.00 0.00 +ATOM 317 H SER 20 27.010 20.430 8.210 1.00 0.00 +ATOM 318 CA SER 20 27.140 18.380 8.580 1.00 0.00 +ATOM 319 HA SER 20 26.460 18.060 9.370 1.00 0.00 +ATOM 320 CB SER 20 27.350 17.210 7.620 1.00 0.00 +ATOM 321 HB1 SER 20 28.170 16.570 7.950 1.00 0.00 +ATOM 322 HB2 SER 20 27.600 17.590 6.630 1.00 0.00 +ATOM 323 OG SER 20 26.210 16.390 7.580 1.00 0.00 +ATOM 324 HG SER 20 26.320 15.780 6.840 1.00 0.00 +ATOM 325 C SER 20 28.460 18.710 9.270 1.00 0.00 +ATOM 326 O SER 20 29.220 17.810 9.630 1.00 0.00 +ATOM 327 N ASP 21 28.800 19.990 9.440 1.00 0.00 +ATOM 328 H ASP 21 28.130 20.720 9.240 1.00 0.00 +ATOM 329 CA ASP 21 30.060 20.460 9.970 1.00 0.00 +ATOM 330 HA ASP 21 30.460 19.730 10.670 1.00 0.00 +ATOM 331 CB ASP 21 31.090 20.630 8.850 1.00 0.00 +ATOM 332 HB1 ASP 21 31.270 19.650 8.420 1.00 0.00 +ATOM 333 HB2 ASP 21 32.040 20.950 9.300 1.00 0.00 +ATOM 334 CG ASP 21 30.770 21.580 7.710 1.00 0.00 +ATOM 335 OD1 ASP 21 29.750 22.310 7.740 1.00 0.00 +ATOM 336 OD2 ASP 21 31.590 21.630 6.770 1.00 0.00 +ATOM 337 C ASP 21 29.870 21.760 10.750 1.00 0.00 +ATOM 338 O ASP 21 28.810 22.380 10.730 1.00 0.00 +ATOM 339 N THR 22 30.920 22.160 11.480 1.00 0.00 +ATOM 340 H THR 22 31.750 21.580 11.490 1.00 0.00 +ATOM 341 CA THR 22 31.010 23.410 12.200 1.00 0.00 +ATOM 342 HA THR 22 30.100 23.990 12.020 1.00 0.00 +ATOM 343 CB THR 22 31.110 23.200 13.710 1.00 0.00 +ATOM 344 HB THR 22 31.380 24.140 14.180 1.00 0.00 +ATOM 345 CG2 THR 22 29.770 22.740 14.290 1.00 0.00 +ATOM 346 1HG2 THR 22 29.850 22.620 15.370 1.00 0.00 +ATOM 347 2HG2 THR 22 29.010 23.490 14.070 1.00 0.00 +ATOM 348 3HG2 THR 22 29.470 21.800 13.840 1.00 0.00 +ATOM 349 OG1 THR 22 32.070 22.220 14.040 1.00 0.00 +ATOM 350 HG1 THR 22 32.100 22.170 15.000 1.00 0.00 +ATOM 351 C THR 22 32.170 24.250 11.680 1.00 0.00 +ATOM 352 O THR 22 33.240 23.730 11.340 1.00 0.00 +ATOM 353 N ILE 23 31.940 25.560 11.590 1.00 0.00 +ATOM 354 H ILE 23 31.040 25.910 11.880 1.00 0.00 +ATOM 355 CA ILE 23 32.870 26.510 11.000 1.00 0.00 +ATOM 356 HA ILE 23 33.240 26.070 10.080 1.00 0.00 +ATOM 357 CB ILE 23 32.160 27.810 10.620 1.00 0.00 +ATOM 358 HB ILE 23 31.890 28.350 11.530 1.00 0.00 +ATOM 359 CG2 ILE 23 33.090 28.700 9.800 1.00 0.00 +ATOM 360 1HG2 ILE 23 32.580 29.630 9.560 1.00 0.00 +ATOM 361 2HG2 ILE 23 33.970 28.970 10.380 1.00 0.00 +ATOM 362 3HG2 ILE 23 33.390 28.210 8.880 1.00 0.00 +ATOM 363 CG1 ILE 23 30.900 27.560 9.800 1.00 0.00 +ATOM 364 1HG1 ILE 23 30.990 26.630 9.230 1.00 0.00 +ATOM 365 2HG1 ILE 23 30.770 28.350 9.060 1.00 0.00 +ATOM 366 CD ILE 23 29.620 27.520 10.630 1.00 0.00 +ATOM 367 HD1 ILE 23 28.760 27.380 9.970 1.00 0.00 +ATOM 368 HD2 ILE 23 29.630 26.700 11.350 1.00 0.00 +ATOM 369 HD3 ILE 23 29.500 28.460 11.170 1.00 0.00 +ATOM 370 C ILE 23 34.050 26.730 11.930 1.00 0.00 +ATOM 371 O ILE 23 33.920 26.850 13.150 1.00 0.00 +ATOM 372 N GLU 24 35.240 26.790 11.330 1.00 0.00 +ATOM 373 H GLU 24 35.260 26.620 10.330 1.00 0.00 +ATOM 374 CA GLU 24 36.520 26.990 11.980 1.00 0.00 +ATOM 375 HA GLU 24 36.350 27.390 12.980 1.00 0.00 +ATOM 376 CB GLU 24 37.170 25.620 12.120 1.00 0.00 +ATOM 377 HB1 GLU 24 37.550 25.300 11.150 1.00 0.00 +ATOM 378 HB2 GLU 24 36.410 24.910 12.430 1.00 0.00 +ATOM 379 CG GLU 24 38.290 25.520 13.160 1.00 0.00 +ATOM 380 HG1 GLU 24 37.900 25.830 14.130 1.00 0.00 +ATOM 381 HG2 GLU 24 39.110 26.190 12.890 1.00 0.00 +ATOM 382 CD GLU 24 38.830 24.100 13.260 1.00 0.00 +ATOM 383 OE1 GLU 24 39.430 23.600 12.280 1.00 0.00 +ATOM 384 OE2 GLU 24 38.670 23.460 14.320 1.00 0.00 +ATOM 385 C GLU 24 37.370 28.010 11.240 1.00 0.00 +ATOM 386 O GLU 24 38.460 28.380 11.680 1.00 0.00 +ATOM 387 N ASN 25 36.850 28.560 10.140 1.00 0.00 +ATOM 388 H ASN 25 35.920 28.260 9.880 1.00 0.00 +ATOM 389 CA ASN 25 37.510 29.510 9.260 1.00 0.00 +ATOM 390 HA ASN 25 38.580 29.310 9.270 1.00 0.00 +ATOM 391 CB ASN 25 36.980 29.290 7.850 1.00 0.00 +ATOM 392 HB1 ASN 25 37.480 29.990 7.170 1.00 0.00 +ATOM 393 HB2 ASN 25 35.910 29.510 7.820 1.00 0.00 +ATOM 394 CG ASN 25 37.210 27.890 7.290 1.00 0.00 +ATOM 395 OD1 ASN 25 38.010 27.100 7.770 1.00 0.00 +ATOM 396 ND2 ASN 25 36.480 27.530 6.230 1.00 0.00 +ATOM 397 1HD2 ASN 25 35.820 28.170 5.820 1.00 0.00 +ATOM 398 2HD2 ASN 25 36.620 26.600 5.860 1.00 0.00 +ATOM 399 C ASN 25 37.330 30.950 9.720 1.00 0.00 +ATOM 400 O ASN 25 38.090 31.830 9.340 1.00 0.00 +ATOM 401 N VAL 26 36.360 31.190 10.620 1.00 0.00 +ATOM 402 H VAL 26 35.760 30.410 10.860 1.00 0.00 +ATOM 403 CA VAL 26 36.150 32.440 11.330 1.00 0.00 +ATOM 404 HA VAL 26 36.510 33.260 10.710 1.00 0.00 +ATOM 405 CB VAL 26 34.650 32.680 11.550 1.00 0.00 +ATOM 406 HB VAL 26 34.530 33.640 12.060 1.00 0.00 +ATOM 407 CG1 VAL 26 33.920 32.760 10.220 1.00 0.00 +ATOM 408 1HG1 VAL 26 32.870 33.000 10.390 1.00 0.00 +ATOM 409 2HG1 VAL 26 34.360 33.540 9.600 1.00 0.00 +ATOM 410 3HG1 VAL 26 33.980 31.810 9.680 1.00 0.00 +ATOM 411 CG2 VAL 26 34.000 31.610 12.420 1.00 0.00 +ATOM 412 1HG2 VAL 26 32.940 31.830 12.530 1.00 0.00 +ATOM 413 2HG2 VAL 26 34.090 30.620 11.970 1.00 0.00 +ATOM 414 3HG2 VAL 26 34.450 31.600 13.410 1.00 0.00 +ATOM 415 C VAL 26 36.940 32.510 12.630 1.00 0.00 +ATOM 416 O VAL 26 37.140 33.590 13.180 1.00 0.00 +ATOM 417 N LYS 27 37.480 31.370 13.070 1.00 0.00 +ATOM 418 H LYS 27 37.270 30.530 12.530 1.00 0.00 +ATOM 419 CA LYS 27 38.430 31.210 14.160 1.00 0.00 +ATOM 420 HA LYS 27 38.260 32.010 14.880 1.00 0.00 +ATOM 421 CB LYS 27 38.180 29.880 14.870 1.00 0.00 +ATOM 422 HB1 LYS 27 38.800 29.860 15.770 1.00 0.00 +ATOM 423 HB2 LYS 27 38.510 29.070 14.220 1.00 0.00 +ATOM 424 CG LYS 27 36.740 29.620 15.290 1.00 0.00 +ATOM 425 HG1 LYS 27 36.080 29.640 14.420 1.00 0.00 +ATOM 426 HG2 LYS 27 36.410 30.390 16.000 1.00 0.00 +ATOM 427 CD LYS 27 36.630 28.240 15.930 1.00 0.00 +ATOM 428 HD1 LYS 27 37.260 28.190 16.820 1.00 0.00 +ATOM 429 HD2 LYS 27 36.990 27.500 15.220 1.00 0.00 +ATOM 430 CE LYS 27 35.200 27.850 16.320 1.00 0.00 +ATOM 431 HE1 LYS 27 35.170 26.770 16.470 1.00 0.00 +ATOM 432 HE2 LYS 27 34.530 28.080 15.490 1.00 0.00 +ATOM 433 NZ LYS 27 34.770 28.530 17.550 1.00 0.00 +ATOM 434 HZ1 LYS 27 33.830 28.250 17.790 1.00 0.00 +ATOM 435 HZ2 LYS 27 35.350 28.280 18.330 1.00 0.00 +ATOM 436 HZ3 LYS 27 34.800 29.530 17.440 1.00 0.00 +ATOM 437 C LYS 27 39.870 31.310 13.690 1.00 0.00 +ATOM 438 O LYS 27 40.780 31.420 14.520 1.00 0.00 +ATOM 439 N ALA 28 40.100 31.330 12.380 1.00 0.00 +ATOM 440 H ALA 28 39.290 31.200 11.780 1.00 0.00 +ATOM 441 CA ALA 28 41.390 31.380 11.720 1.00 0.00 +ATOM 442 HA ALA 28 42.160 31.090 12.440 1.00 0.00 +ATOM 443 CB ALA 28 41.380 30.340 10.600 1.00 0.00 +ATOM 444 HB1 ALA 28 42.370 30.280 10.150 1.00 0.00 +ATOM 445 HB2 ALA 28 41.120 29.360 11.000 1.00 0.00 +ATOM 446 HB3 ALA 28 40.660 30.630 9.840 1.00 0.00 +ATOM 447 C ALA 28 41.770 32.760 11.200 1.00 0.00 +ATOM 448 O ALA 28 42.880 32.950 10.710 1.00 0.00 +ATOM 449 N LYS 29 40.860 33.740 11.300 1.00 0.00 +ATOM 450 H LYS 29 39.960 33.490 11.680 1.00 0.00 +ATOM 451 CA LYS 29 41.070 35.120 10.920 1.00 0.00 +ATOM 452 HA LYS 29 42.020 35.210 10.390 1.00 0.00 +ATOM 453 CB LYS 29 39.980 35.570 9.950 1.00 0.00 +ATOM 454 HB1 LYS 29 39.020 35.590 10.450 1.00 0.00 +ATOM 455 HB2 LYS 29 39.910 34.850 9.130 1.00 0.00 +ATOM 456 CG LYS 29 40.280 36.950 9.360 1.00 0.00 +ATOM 457 HG1 LYS 29 41.210 36.890 8.790 1.00 0.00 +ATOM 458 HG2 LYS 29 40.410 37.670 10.160 1.00 0.00 +ATOM 459 CD LYS 29 39.160 37.420 8.440 1.00 0.00 +ATOM 460 HD1 LYS 29 38.230 37.460 9.000 1.00 0.00 +ATOM 461 HD2 LYS 29 39.060 36.730 7.610 1.00 0.00 +ATOM 462 CE LYS 29 39.500 38.810 7.910 1.00 0.00 +ATOM 463 HE1 LYS 29 40.470 38.780 7.420 1.00 0.00 +ATOM 464 HE2 LYS 29 39.570 39.500 8.750 1.00 0.00 +ATOM 465 NZ LYS 29 38.480 39.280 6.950 1.00 0.00 +ATOM 466 HZ1 LYS 29 38.690 40.220 6.640 1.00 0.00 +ATOM 467 HZ2 LYS 29 38.450 38.680 6.140 1.00 0.00 +ATOM 468 HZ3 LYS 29 37.560 39.260 7.370 1.00 0.00 +ATOM 469 C LYS 29 41.210 36.010 12.150 1.00 0.00 +ATOM 470 O LYS 29 42.320 36.360 12.550 1.00 0.00 +ATOM 471 N ILE 30 40.080 36.340 12.780 1.00 0.00 +ATOM 472 H ILE 30 39.220 35.970 12.410 1.00 0.00 +ATOM 473 CA ILE 30 39.990 37.340 13.830 1.00 0.00 +ATOM 474 HA ILE 30 40.770 38.080 13.640 1.00 0.00 +ATOM 475 CB ILE 30 38.670 38.090 13.730 1.00 0.00 +ATOM 476 HB ILE 30 38.650 38.840 14.530 1.00 0.00 +ATOM 477 CG2 ILE 30 38.600 38.830 12.400 1.00 0.00 +ATOM 478 1HG2 ILE 30 37.720 39.480 12.370 1.00 0.00 +ATOM 479 2HG2 ILE 30 39.480 39.460 12.280 1.00 0.00 +ATOM 480 3HG2 ILE 30 38.540 38.130 11.570 1.00 0.00 +ATOM 481 CG1 ILE 30 37.470 37.170 13.930 1.00 0.00 +ATOM 482 1HG1 ILE 30 37.610 36.590 14.840 1.00 0.00 +ATOM 483 2HG1 ILE 30 37.400 36.470 13.100 1.00 0.00 +ATOM 484 CD ILE 30 36.130 37.900 14.050 1.00 0.00 +ATOM 485 HD1 ILE 30 35.350 37.170 14.270 1.00 0.00 +ATOM 486 HD2 ILE 30 36.180 38.620 14.870 1.00 0.00 +ATOM 487 HD3 ILE 30 35.880 38.410 13.120 1.00 0.00 +ATOM 488 C ILE 30 40.280 36.810 15.220 1.00 0.00 +ATOM 489 O ILE 30 40.630 37.580 16.120 1.00 0.00 +ATOM 490 N GLN 31 40.230 35.490 15.400 1.00 0.00 +ATOM 491 H GLN 31 39.920 34.920 14.620 1.00 0.00 +ATOM 492 CA GLN 31 40.590 34.810 16.630 1.00 0.00 +ATOM 493 HA GLN 31 40.540 35.530 17.450 1.00 0.00 +ATOM 494 CB GLN 31 39.580 33.720 16.970 1.00 0.00 +ATOM 495 HB1 GLN 31 39.730 33.440 18.010 1.00 0.00 +ATOM 496 HB2 GLN 31 39.760 32.840 16.350 1.00 0.00 +ATOM 497 CG GLN 31 38.130 34.180 16.780 1.00 0.00 +ATOM 498 HG1 GLN 31 37.890 34.190 15.720 1.00 0.00 +ATOM 499 HG2 GLN 31 38.030 35.200 17.150 1.00 0.00 +ATOM 500 CD GLN 31 37.100 33.320 17.490 1.00 0.00 +ATOM 501 OE1 GLN 31 37.290 32.150 17.800 1.00 0.00 +ATOM 502 NE2 GLN 31 35.920 33.890 17.790 1.00 0.00 +ATOM 503 1HE2 GLN 31 35.740 34.850 17.530 1.00 0.00 +ATOM 504 2HE2 GLN 31 35.250 33.350 18.320 1.00 0.00 +ATOM 505 C GLN 31 42.040 34.330 16.600 1.00 0.00 +ATOM 506 O GLN 31 42.650 34.130 17.650 1.00 0.00 +ATOM 507 N ASP 32 42.650 34.260 15.420 1.00 0.00 +ATOM 508 H ASP 32 42.090 34.460 14.600 1.00 0.00 +ATOM 509 CA ASP 32 44.070 34.050 15.210 1.00 0.00 +ATOM 510 HA ASP 32 44.450 33.410 16.010 1.00 0.00 +ATOM 511 CB ASP 32 44.260 33.310 13.880 1.00 0.00 +ATOM 512 HB1 ASP 32 44.040 34.000 13.070 1.00 0.00 +ATOM 513 HB2 ASP 32 43.530 32.500 13.840 1.00 0.00 +ATOM 514 CG ASP 32 45.640 32.700 13.670 1.00 0.00 +ATOM 515 OD1 ASP 32 45.960 32.360 12.510 1.00 0.00 +ATOM 516 OD2 ASP 32 46.400 32.500 14.640 1.00 0.00 +ATOM 517 C ASP 32 44.830 35.360 15.260 1.00 0.00 +ATOM 518 O ASP 32 45.960 35.410 15.750 1.00 0.00 +ATOM 519 N LYS 33 44.200 36.470 14.850 1.00 0.00 +ATOM 520 H LYS 33 43.340 36.350 14.340 1.00 0.00 +ATOM 521 CA LYS 33 44.650 37.830 15.100 1.00 0.00 +ATOM 522 HA LYS 33 45.660 37.940 14.710 1.00 0.00 +ATOM 523 CB LYS 33 43.730 38.800 14.380 1.00 0.00 +ATOM 524 HB1 LYS 33 42.710 38.690 14.760 1.00 0.00 +ATOM 525 HB2 LYS 33 43.730 38.560 13.320 1.00 0.00 +ATOM 526 CG LYS 33 44.140 40.260 14.540 1.00 0.00 +ATOM 527 HG1 LYS 33 45.170 40.380 14.210 1.00 0.00 +ATOM 528 HG2 LYS 33 44.070 40.550 15.600 1.00 0.00 +ATOM 529 CD LYS 33 43.240 41.180 13.730 1.00 0.00 +ATOM 530 HD1 LYS 33 42.210 41.060 14.070 1.00 0.00 +ATOM 531 HD2 LYS 33 43.300 40.910 12.680 1.00 0.00 +ATOM 532 CE LYS 33 43.660 42.640 13.900 1.00 0.00 +ATOM 533 HE1 LYS 33 44.700 42.740 13.600 1.00 0.00 +ATOM 534 HE2 LYS 33 43.590 42.900 14.950 1.00 0.00 +ATOM 535 NZ LYS 33 42.820 43.540 13.100 1.00 0.00 +ATOM 536 HZ1 LYS 33 43.110 44.500 13.220 1.00 0.00 +ATOM 537 HZ2 LYS 33 42.880 43.320 12.120 1.00 0.00 +ATOM 538 HZ3 LYS 33 41.850 43.480 13.370 1.00 0.00 +ATOM 539 C LYS 33 44.720 38.140 16.590 1.00 0.00 +ATOM 540 O LYS 33 45.720 38.700 17.060 1.00 0.00 +ATOM 541 N GLU 34 43.700 37.740 17.360 1.00 0.00 +ATOM 542 H GLU 34 42.880 37.380 16.900 1.00 0.00 +ATOM 543 CA GLU 34 43.720 37.790 18.810 1.00 0.00 +ATOM 544 HA GLU 34 43.960 38.810 19.120 1.00 0.00 +ATOM 545 CB GLU 34 42.330 37.440 19.330 1.00 0.00 +ATOM 546 HB1 GLU 34 42.080 36.430 19.020 1.00 0.00 +ATOM 547 HB2 GLU 34 41.600 38.120 18.880 1.00 0.00 +ATOM 548 CG GLU 34 42.200 37.520 20.850 1.00 0.00 +ATOM 549 HG1 GLU 34 42.850 36.770 21.300 1.00 0.00 +ATOM 550 HG2 GLU 34 41.180 37.240 21.120 1.00 0.00 +ATOM 551 CD GLU 34 42.510 38.900 21.410 1.00 0.00 +ATOM 552 OE1 GLU 34 43.430 39.020 22.250 1.00 0.00 +ATOM 553 OE2 GLU 34 41.850 39.880 21.030 1.00 0.00 +ATOM 554 C GLU 34 44.780 36.870 19.390 1.00 0.00 +ATOM 555 O GLU 34 45.480 37.240 20.330 1.00 0.00 +ATOM 556 N GLY 35 44.960 35.680 18.800 1.00 0.00 +ATOM 557 H GLY 35 44.330 35.430 18.050 1.00 0.00 +ATOM 558 CA GLY 35 45.970 34.710 19.170 1.00 0.00 +ATOM 559 HA1 GLY 35 46.820 35.220 19.610 1.00 0.00 +ATOM 560 HA2 GLY 35 46.300 34.200 18.270 1.00 0.00 +ATOM 561 C GLY 35 45.480 33.650 20.150 1.00 0.00 +ATOM 562 O GLY 35 46.290 32.880 20.660 1.00 0.00 +ATOM 563 N ILE 36 44.170 33.590 20.410 1.00 0.00 +ATOM 564 H ILE 36 43.560 34.210 19.900 1.00 0.00 +ATOM 565 CA ILE 36 43.550 32.540 21.210 1.00 0.00 +ATOM 566 HA ILE 36 44.200 32.380 22.070 1.00 0.00 +ATOM 567 CB ILE 36 42.190 32.960 21.750 1.00 0.00 +ATOM 568 HB ILE 36 41.730 32.070 22.180 1.00 0.00 +ATOM 569 CG2 ILE 36 42.380 33.950 22.890 1.00 0.00 +ATOM 570 1HG2 ILE 36 41.420 34.200 23.340 1.00 0.00 +ATOM 571 2HG2 ILE 36 43.010 33.510 23.670 1.00 0.00 +ATOM 572 3HG2 ILE 36 42.860 34.860 22.530 1.00 0.00 +ATOM 573 CG1 ILE 36 41.230 33.490 20.680 1.00 0.00 +ATOM 574 1HG1 ILE 36 41.210 32.780 19.850 1.00 0.00 +ATOM 575 2HG1 ILE 36 41.590 34.450 20.310 1.00 0.00 +ATOM 576 CD ILE 36 39.790 33.650 21.170 1.00 0.00 +ATOM 577 HD1 ILE 36 39.160 33.920 20.320 1.00 0.00 +ATOM 578 HD2 ILE 36 39.440 32.710 21.590 1.00 0.00 +ATOM 579 HD3 ILE 36 39.720 34.440 21.910 1.00 0.00 +ATOM 580 C ILE 36 43.450 31.230 20.430 1.00 0.00 +ATOM 581 O ILE 36 43.250 31.240 19.210 1.00 0.00 +ATOM 582 N PRO 37 43.540 30.090 21.120 1.00 0.00 +ATOM 583 CD PRO 37 44.150 29.890 22.420 1.00 0.00 +ATOM 584 HD1 PRO 37 43.450 30.220 23.190 1.00 0.00 +ATOM 585 HD2 PRO 37 45.080 30.460 22.490 1.00 0.00 +ATOM 586 CG PRO 37 44.430 28.400 22.530 1.00 0.00 +ATOM 587 HG1 PRO 37 44.380 28.070 23.570 1.00 0.00 +ATOM 588 HG2 PRO 37 45.420 28.190 22.100 1.00 0.00 +ATOM 589 CB PRO 37 43.340 27.780 21.660 1.00 0.00 +ATOM 590 HB1 PRO 37 42.430 27.690 22.250 1.00 0.00 +ATOM 591 HB2 PRO 37 43.650 26.810 21.270 1.00 0.00 +ATOM 592 CA PRO 37 43.160 28.810 20.550 1.00 0.00 +ATOM 593 HA PRO 37 43.850 28.580 19.740 1.00 0.00 +ATOM 594 C PRO 37 41.720 28.780 20.050 1.00 0.00 +ATOM 595 O PRO 37 40.860 29.430 20.660 1.00 0.00 +ATOM 596 N PRO 38 41.350 28.070 18.980 1.00 0.00 +ATOM 597 CD PRO 38 42.280 27.370 18.110 1.00 0.00 +ATOM 598 HD1 PRO 38 42.480 26.360 18.480 1.00 0.00 +ATOM 599 HD2 PRO 38 43.220 27.900 17.940 1.00 0.00 +ATOM 600 CG PRO 38 41.580 27.270 16.760 1.00 0.00 +ATOM 601 HG1 PRO 38 41.880 26.400 16.180 1.00 0.00 +ATOM 602 HG2 PRO 38 41.700 28.180 16.190 1.00 0.00 +ATOM 603 CB PRO 38 40.110 27.140 17.180 1.00 0.00 +ATOM 604 HB1 PRO 38 39.880 26.110 17.410 1.00 0.00 +ATOM 605 HB2 PRO 38 39.430 27.520 16.420 1.00 0.00 +ATOM 606 CA PRO 38 40.010 27.980 18.450 1.00 0.00 +ATOM 607 HA PRO 38 39.700 29.000 18.200 1.00 0.00 +ATOM 608 C PRO 38 39.010 27.410 19.450 1.00 0.00 +ATOM 609 O PRO 38 37.850 27.790 19.440 1.00 0.00 +ATOM 610 N ASP 39 39.420 26.420 20.260 1.00 0.00 +ATOM 611 H ASP 39 40.410 26.200 20.270 1.00 0.00 +ATOM 612 CA ASP 39 38.580 25.630 21.140 1.00 0.00 +ATOM 613 HA ASP 39 37.580 25.630 20.700 1.00 0.00 +ATOM 614 CB ASP 39 39.040 24.180 21.140 1.00 0.00 +ATOM 615 HB1 ASP 39 38.910 23.790 20.130 1.00 0.00 +ATOM 616 HB2 ASP 39 38.370 23.600 21.780 1.00 0.00 +ATOM 617 CG ASP 39 40.490 23.920 21.550 1.00 0.00 +ATOM 618 OD1 ASP 39 41.290 24.870 21.700 1.00 0.00 +ATOM 619 OD2 ASP 39 40.840 22.730 21.690 1.00 0.00 +ATOM 620 C ASP 39 38.420 26.230 22.530 1.00 0.00 +ATOM 621 O ASP 39 38.480 25.530 23.540 1.00 0.00 +ATOM 622 N GLN 40 38.180 27.550 22.570 1.00 0.00 +ATOM 623 H GLN 40 38.210 28.030 21.690 1.00 0.00 +ATOM 624 CA GLN 40 37.760 28.280 23.750 1.00 0.00 +ATOM 625 HA GLN 40 37.520 27.580 24.560 1.00 0.00 +ATOM 626 CB GLN 40 38.870 29.210 24.230 1.00 0.00 +ATOM 627 HB1 GLN 40 38.550 29.650 25.170 1.00 0.00 +ATOM 628 HB2 GLN 40 38.980 30.010 23.500 1.00 0.00 +ATOM 629 CG GLN 40 40.230 28.550 24.430 1.00 0.00 +ATOM 630 HG1 GLN 40 40.640 28.280 23.460 1.00 0.00 +ATOM 631 HG2 GLN 40 40.110 27.650 25.030 1.00 0.00 +ATOM 632 CD GLN 40 41.200 29.490 25.140 1.00 0.00 +ATOM 633 OE1 GLN 40 41.860 29.130 26.110 1.00 0.00 +ATOM 634 NE2 GLN 40 41.330 30.740 24.690 1.00 0.00 +ATOM 635 1HE2 GLN 40 40.770 31.060 23.910 1.00 0.00 +ATOM 636 2HE2 GLN 40 41.960 31.360 25.180 1.00 0.00 +ATOM 637 C GLN 40 36.510 29.120 23.500 1.00 0.00 +ATOM 638 O GLN 40 35.850 29.540 24.440 1.00 0.00 +ATOM 639 N GLN 41 36.200 29.350 22.220 1.00 0.00 +ATOM 640 H GLN 41 36.780 28.940 21.510 1.00 0.00 +ATOM 641 CA GLN 41 35.010 30.040 21.750 1.00 0.00 +ATOM 642 HA GLN 41 34.500 30.510 22.590 1.00 0.00 +ATOM 643 CB GLN 41 35.370 31.110 20.730 1.00 0.00 +ATOM 644 HB1 GLN 41 34.480 31.720 20.550 1.00 0.00 +ATOM 645 HB2 GLN 41 35.630 30.640 19.780 1.00 0.00 +ATOM 646 CG GLN 41 36.520 32.030 21.120 1.00 0.00 +ATOM 647 HG1 GLN 41 36.510 32.910 20.490 1.00 0.00 +ATOM 648 HG2 GLN 41 37.460 31.500 20.950 1.00 0.00 +ATOM 649 CD GLN 41 36.460 32.470 22.580 1.00 0.00 +ATOM 650 OE1 GLN 41 37.300 32.120 23.410 1.00 0.00 +ATOM 651 NE2 GLN 41 35.420 33.210 22.960 1.00 0.00 +ATOM 652 1HE2 GLN 41 34.750 33.510 22.270 1.00 0.00 +ATOM 653 2HE2 GLN 41 35.330 33.430 23.940 1.00 0.00 +ATOM 654 C GLN 41 34.090 28.990 21.140 1.00 0.00 +ATOM 655 O GLN 41 34.520 28.180 20.320 1.00 0.00 +ATOM 656 N ARG 42 32.810 29.000 21.530 1.00 0.00 +ATOM 657 H ARG 42 32.500 29.730 22.160 1.00 0.00 +ATOM 658 CA ARG 42 31.830 28.010 21.120 1.00 0.00 +ATOM 659 HA ARG 42 32.300 27.270 20.470 1.00 0.00 +ATOM 660 CB ARG 42 31.270 27.280 22.340 1.00 0.00 +ATOM 661 HB1 ARG 42 30.550 26.530 21.990 1.00 0.00 +ATOM 662 HB2 ARG 42 30.730 28.000 22.950 1.00 0.00 +ATOM 663 CG ARG 42 32.310 26.590 23.220 1.00 0.00 +ATOM 664 HG1 ARG 42 31.790 26.120 24.050 1.00 0.00 +ATOM 665 HG2 ARG 42 32.980 27.340 23.630 1.00 0.00 +ATOM 666 CD ARG 42 33.130 25.530 22.490 1.00 0.00 +ATOM 667 HD1 ARG 42 33.620 25.990 21.630 1.00 0.00 +ATOM 668 HD2 ARG 42 32.460 24.750 22.140 1.00 0.00 +ATOM 669 NE ARG 42 34.160 24.950 23.350 1.00 0.00 +ATOM 670 HE ARG 42 34.120 25.170 24.340 1.00 0.00 +ATOM 671 CZ ARG 42 35.140 24.130 22.970 1.00 0.00 +ATOM 672 NH1 ARG 42 35.290 23.760 21.690 1.00 0.00 +ATOM 673 1HH1 ARG 42 34.630 24.090 21.000 1.00 0.00 +ATOM 674 2HH1 ARG 42 36.010 23.100 21.430 1.00 0.00 +ATOM 675 NH2 ARG 42 36.010 23.650 23.860 1.00 0.00 +ATOM 676 1HH2 ARG 42 35.970 23.940 24.820 1.00 0.00 +ATOM 677 2HH2 ARG 42 36.790 23.070 23.550 1.00 0.00 +ATOM 678 C ARG 42 30.730 28.670 20.300 1.00 0.00 +ATOM 679 O ARG 42 30.290 29.770 20.610 1.00 0.00 +ATOM 680 N LEU 43 30.290 27.950 19.260 1.00 0.00 +ATOM 681 H LEU 43 30.720 27.060 19.070 1.00 0.00 +ATOM 682 CA LEU 43 29.120 28.320 18.490 1.00 0.00 +ATOM 683 HA LEU 43 29.230 29.350 18.140 1.00 0.00 +ATOM 684 CB LEU 43 28.960 27.410 17.280 1.00 0.00 +ATOM 685 HB1 LEU 43 27.930 27.480 16.940 1.00 0.00 +ATOM 686 HB2 LEU 43 29.130 26.370 17.580 1.00 0.00 +ATOM 687 CG LEU 43 29.850 27.740 16.070 1.00 0.00 +ATOM 688 HG LEU 43 29.550 28.710 15.680 1.00 0.00 +ATOM 689 CD1 LEU 43 31.340 27.770 16.360 1.00 0.00 +ATOM 690 1HD1 LEU 43 31.890 27.940 15.430 1.00 0.00 +ATOM 691 2HD1 LEU 43 31.570 28.600 17.040 1.00 0.00 +ATOM 692 3HD1 LEU 43 31.660 26.830 16.800 1.00 0.00 +ATOM 693 CD2 LEU 43 29.620 26.680 15.000 1.00 0.00 +ATOM 694 1HD2 LEU 43 30.200 26.920 14.110 1.00 0.00 +ATOM 695 2HD2 LEU 43 29.910 25.700 15.370 1.00 0.00 +ATOM 696 3HD2 LEU 43 28.560 26.650 14.730 1.00 0.00 +ATOM 697 C LEU 43 27.890 28.260 19.390 1.00 0.00 +ATOM 698 O LEU 43 27.770 27.380 20.250 1.00 0.00 +ATOM 699 N ILE 44 26.980 29.210 19.180 1.00 0.00 +ATOM 700 H ILE 44 27.210 29.930 18.510 1.00 0.00 +ATOM 701 CA ILE 44 25.760 29.390 19.950 1.00 0.00 +ATOM 702 HA ILE 44 25.760 28.710 20.800 1.00 0.00 +ATOM 703 CB ILE 44 25.670 30.810 20.500 1.00 0.00 +ATOM 704 HB ILE 44 25.660 31.500 19.650 1.00 0.00 +ATOM 705 CG2 ILE 44 24.370 30.990 21.280 1.00 0.00 +ATOM 706 1HG2 ILE 44 24.280 32.010 21.650 1.00 0.00 +ATOM 707 2HG2 ILE 44 23.510 30.810 20.640 1.00 0.00 +ATOM 708 3HG2 ILE 44 24.350 30.300 22.130 1.00 0.00 +ATOM 709 CG1 ILE 44 26.860 31.160 21.390 1.00 0.00 +ATOM 710 1HG1 ILE 44 27.790 30.860 20.900 1.00 0.00 +ATOM 711 2HG1 ILE 44 26.790 30.600 22.320 1.00 0.00 +ATOM 712 CD ILE 44 27.010 32.640 21.700 1.00 0.00 +ATOM 713 HD1 ILE 44 27.920 32.800 22.270 1.00 0.00 +ATOM 714 HD2 ILE 44 27.090 33.210 20.770 1.00 0.00 +ATOM 715 HD3 ILE 44 26.160 33.010 22.280 1.00 0.00 +ATOM 716 C ILE 44 24.590 29.040 19.050 1.00 0.00 +ATOM 717 O ILE 44 24.410 29.640 17.990 1.00 0.00 +ATOM 718 N PHE 45 23.760 28.090 19.490 1.00 0.00 +ATOM 719 H PHE 45 23.980 27.650 20.370 1.00 0.00 +ATOM 720 CA PHE 45 22.480 27.780 18.900 1.00 0.00 +ATOM 721 HA PHE 45 22.160 28.610 18.270 1.00 0.00 +ATOM 722 CB PHE 45 22.580 26.550 18.000 1.00 0.00 +ATOM 723 HB1 PHE 45 22.890 25.690 18.600 1.00 0.00 +ATOM 724 HB2 PHE 45 23.360 26.720 17.250 1.00 0.00 +ATOM 725 CG PHE 45 21.300 26.220 17.270 1.00 0.00 +ATOM 726 CD1 PHE 45 20.580 25.060 17.570 1.00 0.00 +ATOM 727 HD1 PHE 45 20.940 24.370 18.330 1.00 0.00 +ATOM 728 CE1 PHE 45 19.380 24.770 16.900 1.00 0.00 +ATOM 729 HE1 PHE 45 18.840 23.870 17.130 1.00 0.00 +ATOM 730 CZ PHE 45 18.890 25.660 15.940 1.00 0.00 +ATOM 731 HZ PHE 45 17.970 25.440 15.420 1.00 0.00 +ATOM 732 CE2 PHE 45 19.600 26.830 15.640 1.00 0.00 +ATOM 733 HE2 PHE 45 19.230 27.510 14.890 1.00 0.00 +ATOM 734 CD2 PHE 45 20.810 27.100 16.300 1.00 0.00 +ATOM 735 HD2 PHE 45 21.360 28.000 16.050 1.00 0.00 +ATOM 736 C PHE 45 21.440 27.610 20.000 1.00 0.00 +ATOM 737 O PHE 45 21.730 27.030 21.050 1.00 0.00 +ATOM 738 N ALA 46 20.250 28.170 19.810 1.00 0.00 +ATOM 739 H ALA 46 20.090 28.650 18.930 1.00 0.00 +ATOM 740 CA ALA 46 19.180 28.240 20.790 1.00 0.00 +ATOM 741 HA ALA 46 18.370 28.790 20.310 1.00 0.00 +ATOM 742 CB ALA 46 18.630 26.830 21.040 1.00 0.00 +ATOM 743 HB1 ALA 46 17.730 26.890 21.650 1.00 0.00 +ATOM 744 HB2 ALA 46 18.390 26.350 20.100 1.00 0.00 +ATOM 745 HB3 ALA 46 19.370 26.230 21.580 1.00 0.00 +ATOM 746 C ALA 46 19.500 29.030 22.040 1.00 0.00 +ATOM 747 O ALA 46 18.880 28.820 23.090 1.00 0.00 +ATOM 748 N GLY 47 20.460 29.960 21.980 1.00 0.00 +ATOM 749 H GLY 47 20.910 30.110 21.090 1.00 0.00 +ATOM 750 CA GLY 47 20.900 30.750 23.110 1.00 0.00 +ATOM 751 HA1 GLY 47 20.030 31.160 23.640 1.00 0.00 +ATOM 752 HA2 GLY 47 21.500 31.580 22.750 1.00 0.00 +ATOM 753 C GLY 47 21.750 29.980 24.120 1.00 0.00 +ATOM 754 O GLY 47 21.860 30.410 25.270 1.00 0.00 +ATOM 755 N LYS 48 22.340 28.860 23.700 1.00 0.00 +ATOM 756 H LYS 48 22.170 28.580 22.750 1.00 0.00 +ATOM 757 CA LYS 48 23.230 28.020 24.480 1.00 0.00 +ATOM 758 HA LYS 48 23.560 28.550 25.370 1.00 0.00 +ATOM 759 CB LYS 48 22.500 26.750 24.920 1.00 0.00 +ATOM 760 HB1 LYS 48 23.210 26.110 25.440 1.00 0.00 +ATOM 761 HB2 LYS 48 22.140 26.220 24.040 1.00 0.00 +ATOM 762 CG LYS 48 21.320 27.010 25.850 1.00 0.00 +ATOM 763 HG1 LYS 48 20.550 27.590 25.330 1.00 0.00 +ATOM 764 HG2 LYS 48 21.670 27.600 26.710 1.00 0.00 +ATOM 765 CD LYS 48 20.700 25.710 26.350 1.00 0.00 +ATOM 766 HD1 LYS 48 21.450 25.110 26.850 1.00 0.00 +ATOM 767 HD2 LYS 48 20.340 25.150 25.490 1.00 0.00 +ATOM 768 CE LYS 48 19.520 25.930 27.290 1.00 0.00 +ATOM 769 HE1 LYS 48 19.060 24.970 27.490 1.00 0.00 +ATOM 770 HE2 LYS 48 18.780 26.560 26.800 1.00 0.00 +ATOM 771 NZ LYS 48 19.920 26.550 28.570 1.00 0.00 +ATOM 772 HZ1 LYS 48 19.120 26.660 29.180 1.00 0.00 +ATOM 773 HZ2 LYS 48 20.600 25.970 29.060 1.00 0.00 +ATOM 774 HZ3 LYS 48 20.330 27.460 28.430 1.00 0.00 +ATOM 775 C LYS 48 24.460 27.680 23.660 1.00 0.00 +ATOM 776 O LYS 48 24.360 27.370 22.470 1.00 0.00 +ATOM 777 N GLN 49 25.640 27.730 24.280 1.00 0.00 +ATOM 778 H GLN 49 25.660 28.010 25.260 1.00 0.00 +ATOM 779 CA GLN 49 26.870 27.210 23.700 1.00 0.00 +ATOM 780 HA GLN 49 26.990 27.650 22.710 1.00 0.00 +ATOM 781 CB GLN 49 28.070 27.610 24.550 1.00 0.00 +ATOM 782 HB1 GLN 49 28.950 27.080 24.190 1.00 0.00 +ATOM 783 HB2 GLN 49 27.900 27.300 25.580 1.00 0.00 +ATOM 784 CG GLN 49 28.350 29.110 24.500 1.00 0.00 +ATOM 785 HG1 GLN 49 27.510 29.660 24.920 1.00 0.00 +ATOM 786 HG2 GLN 49 28.490 29.410 23.460 1.00 0.00 +ATOM 787 CD GLN 49 29.610 29.490 25.280 1.00 0.00 +ATOM 788 OE1 GLN 49 30.600 29.970 24.730 1.00 0.00 +ATOM 789 NE2 GLN 49 29.630 29.290 26.600 1.00 0.00 +ATOM 790 1HE2 GLN 49 28.840 28.880 27.070 1.00 0.00 +ATOM 791 2HE2 GLN 49 30.470 29.540 27.100 1.00 0.00 +ATOM 792 C GLN 49 26.790 25.700 23.540 1.00 0.00 +ATOM 793 O GLN 49 26.090 25.030 24.300 1.00 0.00 +ATOM 794 N LEU 50 27.500 25.150 22.560 1.00 0.00 +ATOM 795 H LEU 50 28.000 25.770 21.930 1.00 0.00 +ATOM 796 CA LEU 50 27.510 23.730 22.280 1.00 0.00 +ATOM 797 HA LEU 50 26.470 23.440 22.110 1.00 0.00 +ATOM 798 CB LEU 50 28.260 23.450 20.980 1.00 0.00 +ATOM 799 HB1 LEU 50 27.820 24.090 20.210 1.00 0.00 +ATOM 800 HB2 LEU 50 28.050 22.420 20.680 1.00 0.00 +ATOM 801 CG LEU 50 29.770 23.660 21.030 1.00 0.00 +ATOM 802 HG LEU 50 30.020 24.350 21.840 1.00 0.00 +ATOM 803 CD1 LEU 50 30.540 22.370 21.240 1.00 0.00 +ATOM 804 1HD1 LEU 50 31.610 22.570 21.260 1.00 0.00 +ATOM 805 2HD1 LEU 50 30.270 21.910 22.190 1.00 0.00 +ATOM 806 3HD1 LEU 50 30.330 21.660 20.430 1.00 0.00 +ATOM 807 CD2 LEU 50 30.260 24.290 19.730 1.00 0.00 +ATOM 808 1HD2 LEU 50 31.340 24.460 19.780 1.00 0.00 +ATOM 809 2HD2 LEU 50 30.030 23.640 18.890 1.00 0.00 +ATOM 810 3HD2 LEU 50 29.760 25.250 19.590 1.00 0.00 +ATOM 811 C LEU 50 28.010 22.890 23.450 1.00 0.00 +ATOM 812 O LEU 50 28.890 23.290 24.210 1.00 0.00 +ATOM 813 N GLU 51 27.450 21.680 23.580 1.00 0.00 +ATOM 814 H GLU 51 26.770 21.410 22.880 1.00 0.00 +ATOM 815 CA GLU 51 27.870 20.660 24.520 1.00 0.00 +ATOM 816 HA GLU 51 28.630 21.060 25.190 1.00 0.00 +ATOM 817 CB GLU 51 26.700 20.180 25.370 1.00 0.00 +ATOM 818 HB1 GLU 51 27.050 19.400 26.040 1.00 0.00 +ATOM 819 HB2 GLU 51 25.940 19.760 24.720 1.00 0.00 +ATOM 820 CG GLU 51 26.040 21.270 26.220 1.00 0.00 +ATOM 821 HG1 GLU 51 25.730 22.090 25.560 1.00 0.00 +ATOM 822 HG2 GLU 51 26.790 21.670 26.910 1.00 0.00 +ATOM 823 CD GLU 51 24.830 20.800 27.010 1.00 0.00 +ATOM 824 OE1 GLU 51 24.460 19.600 26.940 1.00 0.00 +ATOM 825 OE2 GLU 51 24.210 21.630 27.690 1.00 0.00 +ATOM 826 C GLU 51 28.500 19.490 23.770 1.00 0.00 +ATOM 827 O GLU 51 28.110 19.180 22.650 1.00 0.00 +ATOM 828 N ASP 52 29.450 18.790 24.400 1.00 0.00 +ATOM 829 H ASP 52 29.680 19.020 25.360 1.00 0.00 +ATOM 830 CA ASP 52 30.200 17.720 23.780 1.00 0.00 +ATOM 831 HA ASP 52 30.260 17.910 22.710 1.00 0.00 +ATOM 832 CB ASP 52 31.640 17.720 24.300 1.00 0.00 +ATOM 833 HB1 ASP 52 32.080 18.690 24.060 1.00 0.00 +ATOM 834 HB2 ASP 52 32.210 16.970 23.750 1.00 0.00 +ATOM 835 CG ASP 52 31.820 17.500 25.800 1.00 0.00 +ATOM 836 OD1 ASP 52 30.830 17.410 26.560 1.00 0.00 +ATOM 837 OD2 ASP 52 32.990 17.410 26.230 1.00 0.00 +ATOM 838 C ASP 52 29.550 16.350 23.930 1.00 0.00 +ATOM 839 O ASP 52 30.050 15.370 23.390 1.00 0.00 +ATOM 840 N GLY 53 28.420 16.270 24.630 1.00 0.00 +ATOM 841 H GLY 53 28.090 17.130 25.070 1.00 0.00 +ATOM 842 CA GLY 53 27.580 15.100 24.740 1.00 0.00 +ATOM 843 HA1 GLY 53 27.070 15.130 25.710 1.00 0.00 +ATOM 844 HA2 GLY 53 28.190 14.200 24.710 1.00 0.00 +ATOM 845 C GLY 53 26.510 14.980 23.660 1.00 0.00 +ATOM 846 O GLY 53 25.840 13.960 23.580 1.00 0.00 +ATOM 847 N ARG 54 26.330 16.020 22.840 1.00 0.00 +ATOM 848 H ARG 54 26.940 16.810 22.950 1.00 0.00 +ATOM 849 CA ARG 54 25.330 16.080 21.790 1.00 0.00 +ATOM 850 HA ARG 54 24.370 15.820 22.220 1.00 0.00 +ATOM 851 CB ARG 54 25.230 17.490 21.200 1.00 0.00 +ATOM 852 HB1 ARG 54 24.540 17.470 20.360 1.00 0.00 +ATOM 853 HB2 ARG 54 26.210 17.800 20.840 1.00 0.00 +ATOM 854 CG ARG 54 24.710 18.490 22.230 1.00 0.00 +ATOM 855 HG1 ARG 54 25.400 18.500 23.070 1.00 0.00 +ATOM 856 HG2 ARG 54 23.730 18.160 22.590 1.00 0.00 +ATOM 857 CD ARG 54 24.580 19.910 21.680 1.00 0.00 +ATOM 858 HD1 ARG 54 23.840 19.910 20.880 1.00 0.00 +ATOM 859 HD2 ARG 54 25.540 20.220 21.270 1.00 0.00 +ATOM 860 NE ARG 54 24.170 20.830 22.730 1.00 0.00 +ATOM 861 HE ARG 54 24.040 20.450 23.650 1.00 0.00 +ATOM 862 CZ ARG 54 23.900 22.140 22.600 1.00 0.00 +ATOM 863 NH1 ARG 54 23.980 22.770 21.420 1.00 0.00 +ATOM 864 1HH1 ARG 54 24.200 22.230 20.590 1.00 0.00 +ATOM 865 2HH1 ARG 54 23.740 23.740 21.350 1.00 0.00 +ATOM 866 NH2 ARG 54 23.560 22.880 23.660 1.00 0.00 +ATOM 867 1HH2 ARG 54 23.490 22.460 24.580 1.00 0.00 +ATOM 868 2HH2 ARG 54 23.420 23.870 23.550 1.00 0.00 +ATOM 869 C ARG 54 25.610 15.060 20.690 1.00 0.00 +ATOM 870 O ARG 54 26.750 14.840 20.300 1.00 0.00 +ATOM 871 N THR 55 24.530 14.490 20.150 1.00 0.00 +ATOM 872 H THR 55 23.630 14.760 20.530 1.00 0.00 +ATOM 873 CA THR 55 24.520 13.610 19.000 1.00 0.00 +ATOM 874 HA THR 55 25.540 13.390 18.680 1.00 0.00 +ATOM 875 CB THR 55 23.830 12.280 19.310 1.00 0.00 +ATOM 876 HB THR 55 22.760 12.450 19.440 1.00 0.00 +ATOM 877 CG2 THR 55 24.050 11.240 18.220 1.00 0.00 +ATOM 878 1HG2 THR 55 23.540 10.310 18.490 1.00 0.00 +ATOM 879 2HG2 THR 55 23.650 11.590 17.270 1.00 0.00 +ATOM 880 3HG2 THR 55 25.120 11.040 18.110 1.00 0.00 +ATOM 881 OG1 THR 55 24.340 11.720 20.500 1.00 0.00 +ATOM 882 HG1 THR 55 23.810 10.940 20.690 1.00 0.00 +ATOM 883 C THR 55 23.790 14.320 17.860 1.00 0.00 +ATOM 884 O THR 55 22.770 14.950 18.100 1.00 0.00 +ATOM 885 N LEU 56 24.280 14.210 16.620 1.00 0.00 +ATOM 886 H LEU 56 25.110 13.650 16.470 1.00 0.00 +ATOM 887 CA LEU 56 23.760 14.990 15.520 1.00 0.00 +ATOM 888 HA LEU 56 23.770 16.030 15.840 1.00 0.00 +ATOM 889 CB LEU 56 24.700 14.860 14.320 1.00 0.00 +ATOM 890 HB1 LEU 56 24.640 13.840 13.940 1.00 0.00 +ATOM 891 HB2 LEU 56 25.720 15.030 14.670 1.00 0.00 +ATOM 892 CG LEU 56 24.430 15.830 13.180 1.00 0.00 +ATOM 893 HG LEU 56 23.420 15.670 12.790 1.00 0.00 +ATOM 894 CD1 LEU 56 24.580 17.300 13.570 1.00 0.00 +ATOM 895 1HD1 LEU 56 24.440 17.930 12.700 1.00 0.00 +ATOM 896 2HD1 LEU 56 23.820 17.570 14.310 1.00 0.00 +ATOM 897 3HD1 LEU 56 25.570 17.470 13.990 1.00 0.00 +ATOM 898 CD2 LEU 56 25.410 15.560 12.040 1.00 0.00 +ATOM 899 1HD2 LEU 56 25.210 16.240 11.210 1.00 0.00 +ATOM 900 2HD2 LEU 56 26.430 15.690 12.380 1.00 0.00 +ATOM 901 3HD2 LEU 56 25.280 14.540 11.680 1.00 0.00 +ATOM 902 C LEU 56 22.310 14.650 15.170 1.00 0.00 +ATOM 903 O LEU 56 21.600 15.510 14.650 1.00 0.00 +ATOM 904 N SER 57 21.840 13.460 15.520 1.00 0.00 +ATOM 905 H SER 57 22.460 12.810 15.980 1.00 0.00 +ATOM 906 CA SER 57 20.450 13.040 15.380 1.00 0.00 +ATOM 907 HA SER 57 20.160 13.150 14.340 1.00 0.00 +ATOM 908 CB SER 57 20.330 11.570 15.750 1.00 0.00 +ATOM 909 HB1 SER 57 20.850 10.970 15.010 1.00 0.00 +ATOM 910 HB2 SER 57 19.270 11.280 15.740 1.00 0.00 +ATOM 911 OG SER 57 20.870 11.310 17.020 1.00 0.00 +ATOM 912 HG SER 57 20.630 10.410 17.270 1.00 0.00 +ATOM 913 C SER 57 19.470 13.860 16.220 1.00 0.00 +ATOM 914 O SER 57 18.380 14.170 15.750 1.00 0.00 +ATOM 915 N ASP 58 19.860 14.240 17.440 1.00 0.00 +ATOM 916 H ASP 58 20.790 13.960 17.730 1.00 0.00 +ATOM 917 CA ASP 58 19.050 14.970 18.400 1.00 0.00 +ATOM 918 HA ASP 58 18.020 14.980 18.050 1.00 0.00 +ATOM 919 CB ASP 58 19.050 14.240 19.740 1.00 0.00 +ATOM 920 HB1 ASP 58 18.430 14.810 20.440 1.00 0.00 +ATOM 921 HB2 ASP 58 20.070 14.250 20.130 1.00 0.00 +ATOM 922 CG ASP 58 18.540 12.810 19.730 1.00 0.00 +ATOM 923 OD1 ASP 58 18.790 12.100 20.730 1.00 0.00 +ATOM 924 OD2 ASP 58 17.820 12.380 18.800 1.00 0.00 +ATOM 925 C ASP 58 19.450 16.430 18.560 1.00 0.00 +ATOM 926 O ASP 58 18.760 17.180 19.250 1.00 0.00 +ATOM 927 N TYR 59 20.530 16.860 17.910 1.00 0.00 +ATOM 928 H TYR 59 21.060 16.160 17.400 1.00 0.00 +ATOM 929 CA TYR 59 20.990 18.230 17.840 1.00 0.00 +ATOM 930 HA TYR 59 20.550 18.800 18.660 1.00 0.00 +ATOM 931 CB TYR 59 22.510 18.250 18.010 1.00 0.00 +ATOM 932 HB1 TYR 59 22.950 17.650 17.220 1.00 0.00 +ATOM 933 HB2 TYR 59 22.740 17.760 18.960 1.00 0.00 +ATOM 934 CG TYR 59 23.210 19.590 18.020 1.00 0.00 +ATOM 935 CD1 TYR 59 24.590 19.610 17.810 1.00 0.00 +ATOM 936 HD1 TYR 59 25.120 18.690 17.620 1.00 0.00 +ATOM 937 CE1 TYR 59 25.300 20.820 17.850 1.00 0.00 +ATOM 938 HE1 TYR 59 26.370 20.840 17.690 1.00 0.00 +ATOM 939 CZ TYR 59 24.620 22.030 18.080 1.00 0.00 +ATOM 940 OH TYR 59 25.300 23.210 18.140 1.00 0.00 +ATOM 941 HH TYR 59 24.710 23.960 18.250 1.00 0.00 +ATOM 942 CE2 TYR 59 23.220 22.010 18.290 1.00 0.00 +ATOM 943 HE2 TYR 59 22.690 22.930 18.470 1.00 0.00 +ATOM 944 CD2 TYR 59 22.530 20.790 18.260 1.00 0.00 +ATOM 945 HD2 TYR 59 21.460 20.800 18.440 1.00 0.00 +ATOM 946 C TYR 59 20.530 18.860 16.530 1.00 0.00 +ATOM 947 O TYR 59 19.710 19.780 16.540 1.00 0.00 +ATOM 948 N ASN 60 21.000 18.290 15.420 1.00 0.00 +ATOM 949 H ASN 60 21.640 17.520 15.550 1.00 0.00 +ATOM 950 CA ASN 60 20.680 18.580 14.030 1.00 0.00 +ATOM 951 HA ASN 60 21.260 17.870 13.440 1.00 0.00 +ATOM 952 CB ASN 60 19.210 18.240 13.770 1.00 0.00 +ATOM 953 HB1 ASN 60 18.580 18.990 14.250 1.00 0.00 +ATOM 954 HB2 ASN 60 18.980 17.270 14.210 1.00 0.00 +ATOM 955 CG ASN 60 18.850 18.170 12.290 1.00 0.00 +ATOM 956 OD1 ASN 60 19.690 18.150 11.400 1.00 0.00 +ATOM 957 ND2 ASN 60 17.550 18.120 11.990 1.00 0.00 +ATOM 958 1HD2 ASN 60 16.860 18.130 12.720 1.00 0.00 +ATOM 959 2HD2 ASN 60 17.290 18.060 11.010 1.00 0.00 +ATOM 960 C ASN 60 21.090 19.970 13.580 1.00 0.00 +ATOM 961 O ASN 60 20.500 20.980 13.950 1.00 0.00 +ATOM 962 N ILE 61 22.100 20.020 12.700 1.00 0.00 +ATOM 963 H ILE 61 22.490 19.140 12.390 1.00 0.00 +ATOM 964 CA ILE 61 22.510 21.220 11.990 1.00 0.00 +ATOM 965 HA ILE 61 22.140 22.100 12.520 1.00 0.00 +ATOM 966 CB ILE 61 24.030 21.340 11.930 1.00 0.00 +ATOM 967 HB ILE 61 24.420 20.500 11.350 1.00 0.00 +ATOM 968 CG2 ILE 61 24.450 22.620 11.200 1.00 0.00 +ATOM 969 1HG2 ILE 61 25.530 22.690 11.170 1.00 0.00 +ATOM 970 2HG2 ILE 61 24.090 22.610 10.170 1.00 0.00 +ATOM 971 3HG2 ILE 61 24.040 23.500 11.700 1.00 0.00 +ATOM 972 CG1 ILE 61 24.700 21.280 13.300 1.00 0.00 +ATOM 973 1HG1 ILE 61 25.780 21.350 13.160 1.00 0.00 +ATOM 974 2HG1 ILE 61 24.510 20.300 13.740 1.00 0.00 +ATOM 975 CD ILE 61 24.280 22.340 14.300 1.00 0.00 +ATOM 976 HD1 ILE 61 24.820 22.180 15.240 1.00 0.00 +ATOM 977 HD2 ILE 61 24.520 23.340 13.940 1.00 0.00 +ATOM 978 HD3 ILE 61 23.210 22.280 14.510 1.00 0.00 +ATOM 979 C ILE 61 21.860 21.190 10.610 1.00 0.00 +ATOM 980 O ILE 61 22.020 20.230 9.860 1.00 0.00 +ATOM 981 N GLN 62 21.120 22.250 10.290 1.00 0.00 +ATOM 982 H GLN 62 21.090 23.020 10.950 1.00 0.00 +ATOM 983 CA GLN 62 20.400 22.430 9.040 1.00 0.00 +ATOM 984 HA GLN 62 20.720 21.660 8.330 1.00 0.00 +ATOM 985 CB GLN 62 18.900 22.270 9.260 1.00 0.00 +ATOM 986 HB1 GLN 62 18.400 22.370 8.300 1.00 0.00 +ATOM 987 HB2 GLN 62 18.540 23.070 9.910 1.00 0.00 +ATOM 988 CG GLN 62 18.500 20.920 9.850 1.00 0.00 +ATOM 989 HG1 GLN 62 18.830 20.860 10.890 1.00 0.00 +ATOM 990 HG2 GLN 62 18.970 20.120 9.290 1.00 0.00 +ATOM 991 CD GLN 62 16.990 20.720 9.830 1.00 0.00 +ATOM 992 OE1 GLN 62 16.220 21.420 10.490 1.00 0.00 +ATOM 993 NE2 GLN 62 16.480 19.770 9.040 1.00 0.00 +ATOM 994 1HE2 GLN 62 17.080 19.200 8.460 1.00 0.00 +ATOM 995 2HE2 GLN 62 15.470 19.670 9.010 1.00 0.00 +ATOM 996 C GLN 62 20.740 23.770 8.420 1.00 0.00 +ATOM 997 O GLN 62 21.360 24.630 9.040 1.00 0.00 +ATOM 998 N LYS 63 20.320 23.960 7.170 1.00 0.00 +ATOM 999 H LYS 63 19.800 23.220 6.720 1.00 0.00 +ATOM 1000 CA LYS 63 20.520 25.190 6.420 1.00 0.00 +ATOM 1001 HA LYS 63 21.600 25.370 6.400 1.00 0.00 +ATOM 1002 CB LYS 63 20.070 25.020 4.970 1.00 0.00 +ATOM 1003 HB1 LYS 63 20.670 24.210 4.550 1.00 0.00 +ATOM 1004 HB2 LYS 63 20.300 25.920 4.410 1.00 0.00 +ATOM 1005 CG LYS 63 18.600 24.650 4.750 1.00 0.00 +ATOM 1006 HG1 LYS 63 18.230 24.040 5.580 1.00 0.00 +ATOM 1007 HG2 LYS 63 18.550 24.040 3.850 1.00 0.00 +ATOM 1008 CD LYS 63 17.690 25.860 4.560 1.00 0.00 +ATOM 1009 HD1 LYS 63 18.050 26.460 3.720 1.00 0.00 +ATOM 1010 HD2 LYS 63 17.670 26.470 5.460 1.00 0.00 +ATOM 1011 CE LYS 63 16.260 25.390 4.250 1.00 0.00 +ATOM 1012 HE1 LYS 63 15.910 24.770 5.070 1.00 0.00 +ATOM 1013 HE2 LYS 63 16.280 24.780 3.350 1.00 0.00 +ATOM 1014 NZ LYS 63 15.360 26.540 4.060 1.00 0.00 +ATOM 1015 HZ1 LYS 63 14.420 26.230 3.870 1.00 0.00 +ATOM 1016 HZ2 LYS 63 15.340 27.130 4.880 1.00 0.00 +ATOM 1017 HZ3 LYS 63 15.660 27.120 3.290 1.00 0.00 +ATOM 1018 C LYS 63 19.900 26.400 7.100 1.00 0.00 +ATOM 1019 O LYS 63 18.880 26.290 7.790 1.00 0.00 +ATOM 1020 N GLU 64 20.520 27.570 6.890 1.00 0.00 +ATOM 1021 H GLU 64 21.330 27.540 6.290 1.00 0.00 +ATOM 1022 CA GLU 64 20.100 28.850 7.420 1.00 0.00 +ATOM 1023 HA GLU 64 20.880 29.570 7.140 1.00 0.00 +ATOM 1024 CB GLU 64 18.820 29.320 6.740 1.00 0.00 +ATOM 1025 HB1 GLU 64 18.530 30.300 7.150 1.00 0.00 +ATOM 1026 HB2 GLU 64 18.010 28.620 6.970 1.00 0.00 +ATOM 1027 CG GLU 64 18.950 29.470 5.230 1.00 0.00 +ATOM 1028 HG1 GLU 64 19.180 28.500 4.790 1.00 0.00 +ATOM 1029 HG2 GLU 64 19.790 30.130 5.020 1.00 0.00 +ATOM 1030 CD GLU 64 17.670 30.000 4.610 1.00 0.00 +ATOM 1031 OE1 GLU 64 17.710 31.110 4.030 1.00 0.00 +ATOM 1032 OE2 GLU 64 16.640 29.310 4.650 1.00 0.00 +ATOM 1033 C GLU 64 20.050 28.920 8.940 1.00 0.00 +ATOM 1034 O GLU 64 19.400 29.800 9.500 1.00 0.00 +ATOM 1035 N SER 65 20.750 28.030 9.640 1.00 0.00 +ATOM 1036 H SER 65 21.280 27.330 9.130 1.00 0.00 +ATOM 1037 CA SER 65 20.900 28.090 11.080 1.00 0.00 +ATOM 1038 HA SER 65 19.920 28.210 11.530 1.00 0.00 +ATOM 1039 CB SER 65 21.510 26.790 11.600 1.00 0.00 +ATOM 1040 HB1 SER 65 22.510 26.650 11.190 1.00 0.00 +ATOM 1041 HB2 SER 65 20.880 25.950 11.300 1.00 0.00 +ATOM 1042 OG SER 65 21.570 26.820 13.010 1.00 0.00 +ATOM 1043 HG SER 65 21.960 26.000 13.310 1.00 0.00 +ATOM 1044 C SER 65 21.770 29.290 11.440 1.00 0.00 +ATOM 1045 O SER 65 22.890 29.410 10.950 1.00 0.00 +ATOM 1046 N THR 66 21.250 30.200 12.270 1.00 0.00 +ATOM 1047 H THR 66 20.310 30.080 12.620 1.00 0.00 +ATOM 1048 CA THR 66 22.030 31.280 12.830 1.00 0.00 +ATOM 1049 HA THR 66 22.620 31.720 12.030 1.00 0.00 +ATOM 1050 CB THR 66 21.180 32.400 13.420 1.00 0.00 +ATOM 1051 HB THR 66 21.810 33.060 14.010 1.00 0.00 +ATOM 1052 CG2 THR 66 20.520 33.220 12.320 1.00 0.00 +ATOM 1053 1HG2 THR 66 19.930 34.030 12.770 1.00 0.00 +ATOM 1054 2HG2 THR 66 21.290 33.660 11.680 1.00 0.00 +ATOM 1055 3HG2 THR 66 19.870 32.590 11.720 1.00 0.00 +ATOM 1056 OG1 THR 66 20.150 31.890 14.240 1.00 0.00 +ATOM 1057 HG1 THR 66 19.720 32.650 14.650 1.00 0.00 +ATOM 1058 C THR 66 23.010 30.750 13.870 1.00 0.00 +ATOM 1059 O THR 66 22.660 29.970 14.750 1.00 0.00 +ATOM 1060 N LEU 67 24.260 31.200 13.750 1.00 0.00 +ATOM 1061 H LEU 67 24.470 31.830 12.980 1.00 0.00 +ATOM 1062 CA LEU 67 25.380 30.840 14.600 1.00 0.00 +ATOM 1063 HA LEU 67 25.020 30.390 15.520 1.00 0.00 +ATOM 1064 CB LEU 67 26.300 29.860 13.880 1.00 0.00 +ATOM 1065 HB1 LEU 67 27.160 29.660 14.520 1.00 0.00 +ATOM 1066 HB2 LEU 67 26.680 30.350 12.980 1.00 0.00 +ATOM 1067 CG LEU 67 25.660 28.530 13.480 1.00 0.00 +ATOM 1068 HG LEU 67 24.730 28.710 12.950 1.00 0.00 +ATOM 1069 CD1 LEU 67 26.600 27.790 12.530 1.00 0.00 +ATOM 1070 1HD1 LEU 67 26.170 26.830 12.260 1.00 0.00 +ATOM 1071 2HD1 LEU 67 26.740 28.380 11.630 1.00 0.00 +ATOM 1072 3HD1 LEU 67 27.570 27.630 13.000 1.00 0.00 +ATOM 1073 CD2 LEU 67 25.380 27.640 14.690 1.00 0.00 +ATOM 1074 1HD2 LEU 67 24.930 26.710 14.350 1.00 0.00 +ATOM 1075 2HD2 LEU 67 26.300 27.430 15.230 1.00 0.00 +ATOM 1076 3HD2 LEU 67 24.670 28.140 15.350 1.00 0.00 +ATOM 1077 C LEU 67 26.130 32.120 14.950 1.00 0.00 +ATOM 1078 O LEU 67 26.330 32.990 14.110 1.00 0.00 +ATOM 1079 N HIS 68 26.570 32.210 16.210 1.00 0.00 +ATOM 1080 H HIS 68 26.390 31.430 16.830 1.00 0.00 +ATOM 1081 CA HIS 68 27.390 33.290 16.710 1.00 0.00 +ATOM 1082 HA HIS 68 27.910 33.770 15.880 1.00 0.00 +ATOM 1083 CB HIS 68 26.510 34.330 17.390 1.00 0.00 +ATOM 1084 HB1 HIS 68 25.990 33.870 18.240 1.00 0.00 +ATOM 1085 HB2 HIS 68 25.750 34.660 16.680 1.00 0.00 +ATOM 1086 CG HIS 68 27.240 35.550 17.880 1.00 0.00 +ATOM 1087 ND1 HIS 68 27.770 35.710 19.160 1.00 0.00 +ATOM 1088 CE1 HIS 68 28.280 36.950 19.200 1.00 0.00 +ATOM 1089 HE1 HIS 68 28.740 37.400 20.070 1.00 0.00 +ATOM 1090 NE2 HIS 68 28.100 37.570 18.020 1.00 0.00 +ATOM 1091 HE2 HIS 68 28.380 38.520 17.810 1.00 0.00 +ATOM 1092 CD2 HIS 68 27.450 36.700 17.170 1.00 0.00 +ATOM 1093 HD2 HIS 68 27.140 36.900 16.160 1.00 0.00 +ATOM 1094 C HIS 68 28.440 32.700 17.640 1.00 0.00 +ATOM 1095 O HIS 68 28.190 31.690 18.310 1.00 0.00 +ATOM 1096 N LEU 69 29.620 33.310 17.660 1.00 0.00 +ATOM 1097 H LEU 69 29.740 34.120 17.070 1.00 0.00 +ATOM 1098 CA LEU 69 30.700 33.020 18.590 1.00 0.00 +ATOM 1099 HA LEU 69 30.260 32.560 19.470 1.00 0.00 +ATOM 1100 CB LEU 69 31.700 32.030 18.020 1.00 0.00 +ATOM 1101 HB1 LEU 69 31.190 31.080 17.830 1.00 0.00 +ATOM 1102 HB2 LEU 69 32.430 31.840 18.820 1.00 0.00 +ATOM 1103 CG LEU 69 32.470 32.430 16.760 1.00 0.00 +ATOM 1104 HG LEU 69 32.810 33.460 16.840 1.00 0.00 +ATOM 1105 CD1 LEU 69 33.700 31.540 16.610 1.00 0.00 +ATOM 1106 1HD1 LEU 69 34.290 31.880 15.760 1.00 0.00 +ATOM 1107 2HD1 LEU 69 34.330 31.610 17.500 1.00 0.00 +ATOM 1108 3HD1 LEU 69 33.380 30.510 16.440 1.00 0.00 +ATOM 1109 CD2 LEU 69 31.670 32.250 15.480 1.00 0.00 +ATOM 1110 1HD2 LEU 69 32.280 32.550 14.620 1.00 0.00 +ATOM 1111 2HD2 LEU 69 31.360 31.210 15.360 1.00 0.00 +ATOM 1112 3HD2 LEU 69 30.790 32.890 15.480 1.00 0.00 +ATOM 1113 C LEU 69 31.310 34.350 19.020 1.00 0.00 +ATOM 1114 O LEU 69 31.530 35.250 18.220 1.00 0.00 +ATOM 1115 N VAL 70 31.580 34.450 20.330 1.00 0.00 +ATOM 1116 H VAL 70 31.380 33.660 20.920 1.00 0.00 +ATOM 1117 CA VAL 70 32.170 35.630 20.930 1.00 0.00 +ATOM 1118 HA VAL 70 31.830 36.500 20.360 1.00 0.00 +ATOM 1119 CB VAL 70 31.700 35.840 22.370 1.00 0.00 +ATOM 1120 HB VAL 70 32.150 36.760 22.740 1.00 0.00 +ATOM 1121 CG1 VAL 70 30.190 36.010 22.430 1.00 0.00 +ATOM 1122 1HG1 VAL 70 29.880 36.190 23.460 1.00 0.00 +ATOM 1123 2HG1 VAL 70 29.900 36.880 21.840 1.00 0.00 +ATOM 1124 3HG1 VAL 70 29.680 35.130 22.060 1.00 0.00 +ATOM 1125 CG2 VAL 70 32.120 34.710 23.300 1.00 0.00 +ATOM 1126 1HG2 VAL 70 31.760 34.910 24.310 1.00 0.00 +ATOM 1127 2HG2 VAL 70 31.700 33.760 22.960 1.00 0.00 +ATOM 1128 3HG2 VAL 70 33.200 34.640 23.340 1.00 0.00 +ATOM 1129 C VAL 70 33.690 35.580 20.820 1.00 0.00 +ATOM 1130 O VAL 70 34.280 34.510 20.700 1.00 0.00 +ATOM 1131 N LEU 71 34.330 36.750 20.920 1.00 0.00 +ATOM 1132 H LEU 71 33.770 37.580 21.050 1.00 0.00 +ATOM 1133 CA LEU 71 35.740 36.880 21.190 1.00 0.00 +ATOM 1134 HA LEU 71 36.240 35.930 20.990 1.00 0.00 +ATOM 1135 CB LEU 71 36.340 37.960 20.290 1.00 0.00 +ATOM 1136 HB1 LEU 71 35.970 38.930 20.620 1.00 0.00 +ATOM 1137 HB2 LEU 71 35.990 37.810 19.270 1.00 0.00 +ATOM 1138 CG LEU 71 37.860 37.980 20.300 1.00 0.00 +ATOM 1139 HG LEU 71 38.230 37.880 21.330 1.00 0.00 +ATOM 1140 CD1 LEU 71 38.430 36.840 19.460 1.00 0.00 +ATOM 1141 1HD1 LEU 71 39.520 36.860 19.480 1.00 0.00 +ATOM 1142 2HD1 LEU 71 38.090 35.880 19.830 1.00 0.00 +ATOM 1143 3HD1 LEU 71 38.100 36.970 18.420 1.00 0.00 +ATOM 1144 CD2 LEU 71 38.370 39.290 19.720 1.00 0.00 +ATOM 1145 1HD2 LEU 71 39.460 39.290 19.710 1.00 0.00 +ATOM 1146 2HD2 LEU 71 38.000 39.420 18.710 1.00 0.00 +ATOM 1147 3HD2 LEU 71 38.030 40.120 20.340 1.00 0.00 +ATOM 1148 C LEU 71 35.900 37.200 22.670 1.00 0.00 +ATOM 1149 O LEU 71 35.430 38.240 23.130 1.00 0.00 +ATOM 1150 N ARG 72 36.500 36.280 23.440 1.00 0.00 +ATOM 1151 H ARG 72 36.870 35.460 23.000 1.00 0.00 +ATOM 1152 CA ARG 72 36.580 36.370 24.880 1.00 0.00 +ATOM 1153 HA ARG 72 36.580 37.430 25.170 1.00 0.00 +ATOM 1154 CB ARG 72 35.360 35.710 25.500 1.00 0.00 +ATOM 1155 HB1 ARG 72 35.430 34.630 25.380 1.00 0.00 +ATOM 1156 HB2 ARG 72 34.480 36.050 24.950 1.00 0.00 +ATOM 1157 CG ARG 72 35.150 36.030 26.980 1.00 0.00 +ATOM 1158 HG1 ARG 72 35.170 37.110 27.120 1.00 0.00 +ATOM 1159 HG2 ARG 72 35.970 35.590 27.550 1.00 0.00 +ATOM 1160 CD ARG 72 33.830 35.480 27.510 1.00 0.00 +ATOM 1161 HD1 ARG 72 33.820 35.610 28.590 1.00 0.00 +ATOM 1162 HD2 ARG 72 33.790 34.410 27.290 1.00 0.00 +ATOM 1163 NE ARG 72 32.670 36.150 26.930 1.00 0.00 +ATOM 1164 HE ARG 72 32.840 36.990 26.400 1.00 0.00 +ATOM 1165 CZ ARG 72 31.390 35.770 27.060 1.00 0.00 +ATOM 1166 NH1 ARG 72 31.030 34.700 27.770 1.00 0.00 +ATOM 1167 1HH1 ARG 72 31.740 34.160 28.250 1.00 0.00 +ATOM 1168 2HH1 ARG 72 30.060 34.440 27.850 1.00 0.00 +ATOM 1169 NH2 ARG 72 30.420 36.470 26.460 1.00 0.00 +ATOM 1170 1HH2 ARG 72 30.640 37.300 25.930 1.00 0.00 +ATOM 1171 2HH2 ARG 72 29.460 36.180 26.570 1.00 0.00 +ATOM 1172 C ARG 72 37.890 35.770 25.380 1.00 0.00 +ATOM 1173 O ARG 72 38.380 34.780 24.840 1.00 0.00 +ATOM 1174 N LEU 73 38.430 36.360 26.450 1.00 0.00 +ATOM 1175 H LEU 73 37.950 37.170 26.830 1.00 0.00 +ATOM 1176 CA LEU 73 39.520 35.830 27.240 1.00 0.00 +ATOM 1177 HA LEU 73 39.700 34.790 26.960 1.00 0.00 +ATOM 1178 CB LEU 73 40.820 36.600 27.010 1.00 0.00 +ATOM 1179 HB1 LEU 73 41.550 36.180 27.700 1.00 0.00 +ATOM 1180 HB2 LEU 73 40.690 37.650 27.280 1.00 0.00 +ATOM 1181 CG LEU 73 41.390 36.500 25.600 1.00 0.00 +ATOM 1182 HG LEU 73 41.150 35.520 25.180 1.00 0.00 +ATOM 1183 CD1 LEU 73 40.870 37.590 24.660 1.00 0.00 +ATOM 1184 1HD1 LEU 73 41.340 37.480 23.680 1.00 0.00 +ATOM 1185 2HD1 LEU 73 39.790 37.500 24.530 1.00 0.00 +ATOM 1186 3HD1 LEU 73 41.100 38.570 25.070 1.00 0.00 +ATOM 1187 CD2 LEU 73 42.910 36.630 25.640 1.00 0.00 +ATOM 1188 1HD2 LEU 73 43.320 36.590 24.620 1.00 0.00 +ATOM 1189 2HD2 LEU 73 43.190 37.580 26.090 1.00 0.00 +ATOM 1190 3HD2 LEU 73 43.340 35.810 26.210 1.00 0.00 +ATOM 1191 C LEU 73 39.090 35.870 28.700 1.00 0.00 +ATOM 1192 O LEU 73 38.510 36.860 29.150 1.00 0.00 +ATOM 1193 N ARG 74 39.360 34.790 29.430 1.00 0.00 +ATOM 1194 H ARG 74 39.940 34.080 29.010 1.00 0.00 +ATOM 1195 CA ARG 74 39.090 34.650 30.840 1.00 0.00 +ATOM 1196 HA ARG 74 38.830 35.630 31.260 1.00 0.00 +ATOM 1197 CB ARG 74 37.930 33.700 31.120 1.00 0.00 +ATOM 1198 HB1 ARG 74 37.770 33.680 32.200 1.00 0.00 +ATOM 1199 HB2 ARG 74 38.210 32.690 30.830 1.00 0.00 +ATOM 1200 CG ARG 74 36.600 34.070 30.470 1.00 0.00 +ATOM 1201 HG1 ARG 74 36.650 35.060 30.010 1.00 0.00 +ATOM 1202 HG2 ARG 74 35.840 34.130 31.250 1.00 0.00 +ATOM 1203 CD ARG 74 36.110 33.050 29.440 1.00 0.00 +ATOM 1204 HD1 ARG 74 35.130 33.380 29.090 1.00 0.00 +ATOM 1205 HD2 ARG 74 35.990 32.090 29.930 1.00 0.00 +ATOM 1206 NE ARG 74 37.020 32.910 28.300 1.00 0.00 +ATOM 1207 HE ARG 74 37.920 33.350 28.400 1.00 0.00 +ATOM 1208 CZ ARG 74 36.810 32.220 27.180 1.00 0.00 +ATOM 1209 NH1 ARG 74 35.680 31.560 26.930 1.00 0.00 +ATOM 1210 1HH1 ARG 74 34.950 31.550 27.620 1.00 0.00 +ATOM 1211 2HH1 ARG 74 35.610 30.970 26.110 1.00 0.00 +ATOM 1212 NH2 ARG 74 37.760 32.160 26.230 1.00 0.00 +ATOM 1213 1HH2 ARG 74 38.630 32.660 26.330 1.00 0.00 +ATOM 1214 2HH2 ARG 74 37.530 31.820 25.310 1.00 0.00 +ATOM 1215 C ARG 74 40.360 34.200 31.550 1.00 0.00 +ATOM 1216 O ARG 74 41.250 33.630 30.930 1.00 0.00 +ATOM 1217 N GLY 75 40.440 34.470 32.860 1.00 0.00 +ATOM 1218 H GLY 75 39.670 34.950 33.300 1.00 0.00 +ATOM 1219 CA GLY 75 41.520 33.980 33.700 1.00 0.00 +ATOM 1220 HA1 GLY 75 41.480 34.500 34.660 1.00 0.00 +ATOM 1221 HA2 GLY 75 42.480 34.210 33.240 1.00 0.00 +ATOM 1222 C GLY 75 41.460 32.480 33.970 1.00 0.00 +ATOM 1223 O GLY 75 40.660 31.750 33.390 1.00 0.00 +ATOM 1224 N GLY 76 42.330 32.020 34.870 1.00 0.00 +ATOM 1225 H GLY 76 42.940 32.690 35.320 1.00 0.00 +ATOM 1226 CA GLY 76 42.420 30.640 35.310 1.00 0.00 +ATOM 1227 HA1 GLY 76 42.880 30.040 34.520 1.00 0.00 +ATOM 1228 HA2 GLY 76 41.430 30.250 35.510 1.00 0.00 +ATOM 1229 C GLY 76 43.250 30.490 36.580 1.00 0.00 +ATOM 1230 OC1 GLY 76 42.830 31.030 37.630 1.00 0.00 +ATOM 1231 OC2 GLY 76 44.320 29.840 36.510 1.00 0.00 +TER +ENDMDL +ATOM 1 N MET 1 23.870 24.100 -0.060 1.00 0.00 +ATOM 2 H1 MET 1 24.370 24.710 -0.680 1.00 0.00 +ATOM 3 H2 MET 1 24.550 23.510 0.410 1.00 0.00 +ATOM 4 H3 MET 1 23.260 23.510 -0.600 1.00 0.00 +ATOM 5 CA MET 1 23.120 24.880 0.930 1.00 0.00 +ATOM 6 HA MET 1 22.370 25.470 0.390 1.00 0.00 +ATOM 7 CB MET 1 22.390 23.990 1.930 1.00 0.00 +ATOM 8 HB1 MET 1 22.300 24.480 2.900 1.00 0.00 +ATOM 9 HB2 MET 1 22.940 23.060 2.090 1.00 0.00 +ATOM 10 CG MET 1 20.970 23.660 1.450 1.00 0.00 +ATOM 11 HG1 MET 1 20.520 22.980 2.170 1.00 0.00 +ATOM 12 HG2 MET 1 21.030 23.160 0.490 1.00 0.00 +ATOM 13 SD MET 1 19.890 25.110 1.290 1.00 0.00 +ATOM 14 CE MET 1 18.370 24.260 0.780 1.00 0.00 +ATOM 15 HE1 MET 1 17.580 24.990 0.630 1.00 0.00 +ATOM 16 HE2 MET 1 18.540 23.730 -0.160 1.00 0.00 +ATOM 17 HE3 MET 1 18.070 23.550 1.550 1.00 0.00 +ATOM 18 C MET 1 24.010 25.900 1.630 1.00 0.00 +ATOM 19 O MET 1 25.210 25.940 1.390 1.00 0.00 +ATOM 20 N GLN 2 23.410 26.750 2.470 1.00 0.00 +ATOM 21 H GLN 2 22.420 26.640 2.640 1.00 0.00 +ATOM 22 CA GLN 2 24.090 27.770 3.240 1.00 0.00 +ATOM 23 HA GLN 2 25.170 27.630 3.140 1.00 0.00 +ATOM 24 CB GLN 2 23.750 29.160 2.720 1.00 0.00 +ATOM 25 HB1 GLN 2 24.020 29.210 1.660 1.00 0.00 +ATOM 26 HB2 GLN 2 24.360 29.890 3.250 1.00 0.00 +ATOM 27 CG GLN 2 22.280 29.550 2.880 1.00 0.00 +ATOM 28 HG1 GLN 2 22.010 29.530 3.940 1.00 0.00 +ATOM 29 HG2 GLN 2 21.650 28.830 2.360 1.00 0.00 +ATOM 30 CD GLN 2 21.950 30.940 2.350 1.00 0.00 +ATOM 31 OE1 GLN 2 22.800 31.710 1.910 1.00 0.00 +ATOM 32 NE2 GLN 2 20.680 31.340 2.360 1.00 0.00 +ATOM 33 1HE2 GLN 2 19.950 30.760 2.750 1.00 0.00 +ATOM 34 2HE2 GLN 2 20.470 32.260 2.010 1.00 0.00 +ATOM 35 C GLN 2 23.790 27.660 4.730 1.00 0.00 +ATOM 36 O GLN 2 22.760 27.130 5.140 1.00 0.00 +ATOM 37 N ILE 3 24.680 28.230 5.560 1.00 0.00 +ATOM 38 H ILE 3 25.480 28.680 5.140 1.00 0.00 +ATOM 39 CA ILE 3 24.510 28.420 6.980 1.00 0.00 +ATOM 40 HA ILE 3 23.450 28.320 7.240 1.00 0.00 +ATOM 41 CB ILE 3 25.290 27.390 7.800 1.00 0.00 +ATOM 42 HB ILE 3 26.360 27.590 7.660 1.00 0.00 +ATOM 43 CG2 ILE 3 24.970 27.560 9.280 1.00 0.00 +ATOM 44 1HG2 ILE 3 25.570 26.880 9.880 1.00 0.00 +ATOM 45 2HG2 ILE 3 25.200 28.560 9.620 1.00 0.00 +ATOM 46 3HG2 ILE 3 23.910 27.350 9.460 1.00 0.00 +ATOM 47 CG1 ILE 3 25.000 25.960 7.340 1.00 0.00 +ATOM 48 1HG1 ILE 3 25.320 25.850 6.310 1.00 0.00 +ATOM 49 2HG1 ILE 3 23.930 25.790 7.380 1.00 0.00 +ATOM 50 CD ILE 3 25.700 24.860 8.140 1.00 0.00 +ATOM 51 HD1 ILE 3 25.510 23.910 7.640 1.00 0.00 +ATOM 52 HD2 ILE 3 26.770 25.040 8.170 1.00 0.00 +ATOM 53 HD3 ILE 3 25.300 24.800 9.150 1.00 0.00 +ATOM 54 C ILE 3 24.930 29.850 7.280 1.00 0.00 +ATOM 55 O ILE 3 25.910 30.330 6.710 1.00 0.00 +ATOM 56 N PHE 4 24.200 30.560 8.140 1.00 0.00 +ATOM 57 H PHE 4 23.440 30.110 8.640 1.00 0.00 +ATOM 58 CA PHE 4 24.570 31.900 8.540 1.00 0.00 +ATOM 59 HA PHE 4 25.080 32.390 7.710 1.00 0.00 +ATOM 60 CB PHE 4 23.340 32.750 8.870 1.00 0.00 +ATOM 61 HB1 PHE 4 23.680 33.750 9.140 1.00 0.00 +ATOM 62 HB2 PHE 4 22.840 32.330 9.730 1.00 0.00 +ATOM 63 CG PHE 4 22.360 32.890 7.720 1.00 0.00 +ATOM 64 CD1 PHE 4 21.000 32.620 7.930 1.00 0.00 +ATOM 65 HD1 PHE 4 20.650 32.330 8.920 1.00 0.00 +ATOM 66 CE1 PHE 4 20.100 32.720 6.870 1.00 0.00 +ATOM 67 HE1 PHE 4 19.050 32.530 7.040 1.00 0.00 +ATOM 68 CZ PHE 4 20.550 33.070 5.590 1.00 0.00 +ATOM 69 HZ PHE 4 19.850 33.130 4.770 1.00 0.00 +ATOM 70 CE2 PHE 4 21.900 33.350 5.380 1.00 0.00 +ATOM 71 HE2 PHE 4 22.250 33.630 4.400 1.00 0.00 +ATOM 72 CD2 PHE 4 22.810 33.270 6.450 1.00 0.00 +ATOM 73 HD2 PHE 4 23.850 33.500 6.280 1.00 0.00 +ATOM 74 C PHE 4 25.550 31.870 9.700 1.00 0.00 +ATOM 75 O PHE 4 25.260 31.360 10.780 1.00 0.00 +ATOM 76 N VAL 5 26.720 32.480 9.480 1.00 0.00 +ATOM 77 H VAL 5 26.890 32.900 8.570 1.00 0.00 +ATOM 78 CA VAL 5 27.800 32.560 10.440 1.00 0.00 +ATOM 79 HA VAL 5 27.530 32.010 11.340 1.00 0.00 +ATOM 80 CB VAL 5 29.100 31.960 9.900 1.00 0.00 +ATOM 81 HB VAL 5 29.570 32.680 9.230 1.00 0.00 +ATOM 82 CG1 VAL 5 30.070 31.670 11.040 1.00 0.00 +ATOM 83 1HG1 VAL 5 31.000 31.270 10.640 1.00 0.00 +ATOM 84 2HG1 VAL 5 30.290 32.590 11.580 1.00 0.00 +ATOM 85 3HG1 VAL 5 29.630 30.950 11.730 1.00 0.00 +ATOM 86 CG2 VAL 5 28.880 30.670 9.110 1.00 0.00 +ATOM 87 1HG2 VAL 5 29.840 30.290 8.760 1.00 0.00 +ATOM 88 2HG2 VAL 5 28.370 29.930 9.730 1.00 0.00 +ATOM 89 3HG2 VAL 5 28.270 30.860 8.220 1.00 0.00 +ATOM 90 C VAL 5 27.990 34.030 10.800 1.00 0.00 +ATOM 91 O VAL 5 28.090 34.880 9.920 1.00 0.00 +ATOM 92 N LYS 6 28.000 34.340 12.100 1.00 0.00 +ATOM 93 H LYS 6 27.870 33.600 12.770 1.00 0.00 +ATOM 94 CA LYS 6 28.170 35.680 12.620 1.00 0.00 +ATOM 95 HA LYS 6 28.520 36.340 11.820 1.00 0.00 +ATOM 96 CB LYS 6 26.850 36.230 13.150 1.00 0.00 +ATOM 97 HB1 LYS 6 27.010 37.260 13.460 1.00 0.00 +ATOM 98 HB2 LYS 6 26.560 35.660 14.030 1.00 0.00 +ATOM 99 CG LYS 6 25.720 36.190 12.130 1.00 0.00 +ATOM 100 HG1 LYS 6 25.470 35.160 11.890 1.00 0.00 +ATOM 101 HG2 LYS 6 26.040 36.700 11.220 1.00 0.00 +ATOM 102 CD LYS 6 24.460 36.880 12.670 1.00 0.00 +ATOM 103 HD1 LYS 6 24.690 37.920 12.900 1.00 0.00 +ATOM 104 HD2 LYS 6 24.150 36.370 13.590 1.00 0.00 +ATOM 105 CE LYS 6 23.340 36.810 11.640 1.00 0.00 +ATOM 106 HE1 LYS 6 23.130 35.770 11.420 1.00 0.00 +ATOM 107 HE2 LYS 6 23.680 37.290 10.730 1.00 0.00 +ATOM 108 NZ LYS 6 22.120 37.480 12.130 1.00 0.00 +ATOM 109 HZ1 LYS 6 21.380 37.430 11.440 1.00 0.00 +ATOM 110 HZ2 LYS 6 21.780 37.040 12.980 1.00 0.00 +ATOM 111 HZ3 LYS 6 22.290 38.450 12.330 1.00 0.00 +ATOM 112 C LYS 6 29.260 35.680 13.690 1.00 0.00 +ATOM 113 O LYS 6 29.530 34.660 14.310 1.00 0.00 +ATOM 114 N THR 7 29.870 36.850 13.910 1.00 0.00 +ATOM 115 H THR 7 29.590 37.650 13.350 1.00 0.00 +ATOM 116 CA THR 7 30.980 37.050 14.820 1.00 0.00 +ATOM 117 HA THR 7 31.120 36.160 15.440 1.00 0.00 +ATOM 118 CB THR 7 32.270 37.290 14.050 1.00 0.00 +ATOM 119 HB THR 7 33.060 37.560 14.750 1.00 0.00 +ATOM 120 CG2 THR 7 32.720 36.060 13.270 1.00 0.00 +ATOM 121 1HG2 THR 7 33.660 36.260 12.760 1.00 0.00 +ATOM 122 2HG2 THR 7 32.870 35.230 13.970 1.00 0.00 +ATOM 123 3HG2 THR 7 31.970 35.770 12.540 1.00 0.00 +ATOM 124 OG1 THR 7 32.090 38.360 13.140 1.00 0.00 +ATOM 125 HG1 THR 7 32.930 38.480 12.680 1.00 0.00 +ATOM 126 C THR 7 30.690 38.210 15.770 1.00 0.00 +ATOM 127 O THR 7 29.750 38.970 15.550 1.00 0.00 +ATOM 128 N LEU 8 31.490 38.370 16.820 1.00 0.00 +ATOM 129 H LEU 8 32.220 37.690 16.990 1.00 0.00 +ATOM 130 CA LEU 8 31.310 39.430 17.800 1.00 0.00 +ATOM 131 HA LEU 8 30.320 39.290 18.230 1.00 0.00 +ATOM 132 CB LEU 8 32.360 39.300 18.900 1.00 0.00 +ATOM 133 HB1 LEU 8 33.340 39.480 18.460 1.00 0.00 +ATOM 134 HB2 LEU 8 32.350 38.280 19.280 1.00 0.00 +ATOM 135 CG LEU 8 32.140 40.270 20.050 1.00 0.00 +ATOM 136 HG LEU 8 32.090 41.290 19.670 1.00 0.00 +ATOM 137 CD1 LEU 8 30.860 39.980 20.830 1.00 0.00 +ATOM 138 1HD1 LEU 8 30.780 40.670 21.670 1.00 0.00 +ATOM 139 2HD1 LEU 8 29.990 40.120 20.190 1.00 0.00 +ATOM 140 3HD1 LEU 8 30.880 38.950 21.200 1.00 0.00 +ATOM 141 CD2 LEU 8 33.310 40.220 21.030 1.00 0.00 +ATOM 142 1HD2 LEU 8 33.150 40.960 21.820 1.00 0.00 +ATOM 143 2HD2 LEU 8 33.390 39.230 21.480 1.00 0.00 +ATOM 144 3HD2 LEU 8 34.230 40.480 20.500 1.00 0.00 +ATOM 145 C LEU 8 31.350 40.820 17.180 1.00 0.00 +ATOM 146 O LEU 8 30.580 41.700 17.580 1.00 0.00 +ATOM 147 N THR 9 32.230 41.030 16.200 1.00 0.00 +ATOM 148 H THR 9 32.800 40.260 15.890 1.00 0.00 +ATOM 149 CA THR 9 32.370 42.280 15.490 1.00 0.00 +ATOM 150 HA THR 9 32.570 43.080 16.210 1.00 0.00 +ATOM 151 CB THR 9 33.550 42.220 14.520 1.00 0.00 +ATOM 152 HB THR 9 33.580 43.130 13.920 1.00 0.00 +ATOM 153 CG2 THR 9 34.880 42.090 15.260 1.00 0.00 +ATOM 154 1HG2 THR 9 35.700 42.080 14.540 1.00 0.00 +ATOM 155 2HG2 THR 9 35.010 42.930 15.930 1.00 0.00 +ATOM 156 3HG2 THR 9 34.910 41.160 15.830 1.00 0.00 +ATOM 157 OG1 THR 9 33.440 41.110 13.660 1.00 0.00 +ATOM 158 HG1 THR 9 34.190 41.140 13.070 1.00 0.00 +ATOM 159 C THR 9 31.120 42.670 14.710 1.00 0.00 +ATOM 160 O THR 9 30.860 43.860 14.520 1.00 0.00 +ATOM 161 N GLY 10 30.320 41.690 14.300 1.00 0.00 +ATOM 162 H GLY 10 30.610 40.740 14.510 1.00 0.00 +ATOM 163 CA GLY 10 29.070 41.850 13.590 1.00 0.00 +ATOM 164 HA1 GLY 10 28.670 42.850 13.750 1.00 0.00 +ATOM 165 HA2 GLY 10 28.350 41.130 13.990 1.00 0.00 +ATOM 166 C GLY 10 29.180 41.610 12.090 1.00 0.00 +ATOM 167 O GLY 10 28.290 42.010 11.340 1.00 0.00 +ATOM 168 N LYS 11 30.260 40.970 11.640 1.00 0.00 +ATOM 169 H LYS 11 30.930 40.640 12.320 1.00 0.00 +ATOM 170 CA LYS 11 30.450 40.570 10.260 1.00 0.00 +ATOM 171 HA LYS 11 30.000 41.330 9.610 1.00 0.00 +ATOM 172 CB LYS 11 31.950 40.520 9.950 1.00 0.00 +ATOM 173 HB1 LYS 11 32.410 39.710 10.500 1.00 0.00 +ATOM 174 HB2 LYS 11 32.390 41.470 10.270 1.00 0.00 +ATOM 175 CG LYS 11 32.210 40.340 8.460 1.00 0.00 +ATOM 176 HG1 LYS 11 31.720 41.140 7.900 1.00 0.00 +ATOM 177 HG2 LYS 11 31.780 39.390 8.130 1.00 0.00 +ATOM 178 CD LYS 11 33.690 40.330 8.100 1.00 0.00 +ATOM 179 HD1 LYS 11 33.790 40.110 7.040 1.00 0.00 +ATOM 180 HD2 LYS 11 34.190 39.530 8.660 1.00 0.00 +ATOM 181 CE LYS 11 34.370 41.670 8.400 1.00 0.00 +ATOM 182 HE1 LYS 11 34.320 41.860 9.470 1.00 0.00 +ATOM 183 HE2 LYS 11 33.820 42.460 7.880 1.00 0.00 +ATOM 184 NZ LYS 11 35.770 41.680 7.970 1.00 0.00 +ATOM 185 HZ1 LYS 11 36.200 42.580 8.150 1.00 0.00 +ATOM 186 HZ2 LYS 11 36.300 40.990 8.470 1.00 0.00 +ATOM 187 HZ3 LYS 11 35.850 41.510 6.970 1.00 0.00 +ATOM 188 C LYS 11 29.740 39.250 10.000 1.00 0.00 +ATOM 189 O LYS 11 30.070 38.240 10.620 1.00 0.00 +ATOM 190 N THR 12 28.770 39.260 9.090 1.00 0.00 +ATOM 191 H THR 12 28.540 40.130 8.630 1.00 0.00 +ATOM 192 CA THR 12 28.110 38.050 8.640 1.00 0.00 +ATOM 193 HA THR 12 28.070 37.340 9.470 1.00 0.00 +ATOM 194 CB THR 12 26.660 38.290 8.210 1.00 0.00 +ATOM 195 HB THR 12 26.650 38.930 7.330 1.00 0.00 +ATOM 196 CG2 THR 12 25.920 36.990 7.920 1.00 0.00 +ATOM 197 1HG2 THR 12 24.890 37.210 7.630 1.00 0.00 +ATOM 198 2HG2 THR 12 26.400 36.460 7.090 1.00 0.00 +ATOM 199 3HG2 THR 12 25.920 36.350 8.800 1.00 0.00 +ATOM 200 OG1 THR 12 25.950 38.930 9.250 1.00 0.00 +ATOM 201 HG1 THR 12 25.090 39.150 8.900 1.00 0.00 +ATOM 202 C THR 12 28.920 37.430 7.520 1.00 0.00 +ATOM 203 O THR 12 29.200 38.080 6.510 1.00 0.00 +ATOM 204 N ILE 13 29.300 36.160 7.690 1.00 0.00 +ATOM 205 H ILE 13 28.980 35.680 8.520 1.00 0.00 +ATOM 206 CA ILE 13 29.990 35.350 6.710 1.00 0.00 +ATOM 207 HA ILE 13 30.280 35.960 5.850 1.00 0.00 +ATOM 208 CB ILE 13 31.270 34.750 7.300 1.00 0.00 +ATOM 209 HB ILE 13 30.990 34.110 8.130 1.00 0.00 +ATOM 210 CG2 ILE 13 31.990 33.870 6.280 1.00 0.00 +ATOM 211 1HG2 ILE 13 32.910 33.470 6.710 1.00 0.00 +ATOM 212 2HG2 ILE 13 31.360 33.020 6.000 1.00 0.00 +ATOM 213 3HG2 ILE 13 32.230 34.430 5.380 1.00 0.00 +ATOM 214 CG1 ILE 13 32.230 35.800 7.860 1.00 0.00 +ATOM 215 1HG1 ILE 13 33.080 35.280 8.310 1.00 0.00 +ATOM 216 2HG1 ILE 13 31.730 36.340 8.660 1.00 0.00 +ATOM 217 CD ILE 13 32.780 36.810 6.860 1.00 0.00 +ATOM 218 HD1 ILE 13 33.440 37.500 7.380 1.00 0.00 +ATOM 219 HD2 ILE 13 33.360 36.310 6.080 1.00 0.00 +ATOM 220 HD3 ILE 13 31.970 37.380 6.400 1.00 0.00 +ATOM 221 C ILE 13 29.010 34.290 6.220 1.00 0.00 +ATOM 222 O ILE 13 28.430 33.550 7.010 1.00 0.00 +ATOM 223 N THR 14 28.800 34.230 4.900 1.00 0.00 +ATOM 224 H THR 14 29.290 34.850 4.280 1.00 0.00 +ATOM 225 CA THR 14 28.000 33.180 4.300 1.00 0.00 +ATOM 226 HA THR 14 27.180 32.930 4.980 1.00 0.00 +ATOM 227 CB THR 14 27.340 33.620 2.990 1.00 0.00 +ATOM 228 HB THR 14 26.900 32.760 2.500 1.00 0.00 +ATOM 229 CG2 THR 14 26.240 34.650 3.260 1.00 0.00 +ATOM 230 1HG2 THR 14 25.760 34.930 2.320 1.00 0.00 +ATOM 231 2HG2 THR 14 25.490 34.210 3.920 1.00 0.00 +ATOM 232 3HG2 THR 14 26.660 35.540 3.730 1.00 0.00 +ATOM 233 OG1 THR 14 28.270 34.230 2.120 1.00 0.00 +ATOM 234 HG1 THR 14 27.810 34.420 1.300 1.00 0.00 +ATOM 235 C THR 14 28.830 31.920 4.110 1.00 0.00 +ATOM 236 O THR 14 29.990 31.970 3.720 1.00 0.00 +ATOM 237 N LEU 15 28.210 30.770 4.400 1.00 0.00 +ATOM 238 H LEU 15 27.250 30.810 4.730 1.00 0.00 +ATOM 239 CA LEU 15 28.770 29.460 4.160 1.00 0.00 +ATOM 240 HA LEU 15 29.840 29.560 3.990 1.00 0.00 +ATOM 241 CB LEU 15 28.550 28.610 5.410 1.00 0.00 +ATOM 242 HB1 LEU 15 27.500 28.320 5.440 1.00 0.00 +ATOM 243 HB2 LEU 15 28.750 29.220 6.290 1.00 0.00 +ATOM 244 CG LEU 15 29.410 27.360 5.480 1.00 0.00 +ATOM 245 HG LEU 15 29.310 26.800 4.550 1.00 0.00 +ATOM 246 CD1 LEU 15 30.890 27.680 5.720 1.00 0.00 +ATOM 247 1HD1 LEU 15 31.450 26.760 5.840 1.00 0.00 +ATOM 248 2HD1 LEU 15 31.300 28.240 4.880 1.00 0.00 +ATOM 249 3HD1 LEU 15 30.990 28.280 6.630 1.00 0.00 +ATOM 250 CD2 LEU 15 28.930 26.460 6.620 1.00 0.00 +ATOM 251 1HD2 LEU 15 29.570 25.580 6.700 1.00 0.00 +ATOM 252 2HD2 LEU 15 28.950 27.010 7.570 1.00 0.00 +ATOM 253 3HD2 LEU 15 27.920 26.130 6.410 1.00 0.00 +ATOM 254 C LEU 15 28.140 28.860 2.900 1.00 0.00 +ATOM 255 O LEU 15 26.970 29.120 2.620 1.00 0.00 +ATOM 256 N GLU 16 28.910 28.080 2.140 1.00 0.00 +ATOM 257 H GLU 16 29.880 27.960 2.390 1.00 0.00 +ATOM 258 CA GLU 16 28.450 27.460 0.910 1.00 0.00 +ATOM 259 HA GLU 16 27.390 27.660 0.770 1.00 0.00 +ATOM 260 CB GLU 16 29.180 28.070 -0.290 1.00 0.00 +ATOM 261 HB1 GLU 16 28.840 27.560 -1.200 1.00 0.00 +ATOM 262 HB2 GLU 16 30.250 27.890 -0.180 1.00 0.00 +ATOM 263 CG GLU 16 28.930 29.560 -0.470 1.00 0.00 +ATOM 264 HG1 GLU 16 29.350 30.110 0.370 1.00 0.00 +ATOM 265 HG2 GLU 16 27.860 29.740 -0.490 1.00 0.00 +ATOM 266 CD GLU 16 29.560 30.070 -1.760 1.00 0.00 +ATOM 267 OE1 GLU 16 30.800 30.060 -1.890 1.00 0.00 +ATOM 268 OE2 GLU 16 28.820 30.510 -2.670 1.00 0.00 +ATOM 269 C GLU 16 28.580 25.940 0.900 1.00 0.00 +ATOM 270 O GLU 16 28.190 25.290 -0.070 1.00 0.00 +ATOM 271 N VAL 17 29.100 25.350 1.980 1.00 0.00 +ATOM 272 H VAL 17 29.340 25.930 2.760 1.00 0.00 +ATOM 273 CA VAL 17 29.180 23.910 2.170 1.00 0.00 +ATOM 274 HA VAL 17 29.190 23.440 1.190 1.00 0.00 +ATOM 275 CB VAL 17 30.480 23.480 2.860 1.00 0.00 +ATOM 276 HB VAL 17 30.470 22.390 2.920 1.00 0.00 +ATOM 277 CG1 VAL 17 31.690 23.880 2.030 1.00 0.00 +ATOM 278 1HG1 VAL 17 32.600 23.500 2.510 1.00 0.00 +ATOM 279 2HG1 VAL 17 31.620 23.450 1.030 1.00 0.00 +ATOM 280 3HG1 VAL 17 31.760 24.970 1.950 1.00 0.00 +ATOM 281 CG2 VAL 17 30.640 24.030 4.270 1.00 0.00 +ATOM 282 1HG2 VAL 17 31.550 23.620 4.720 1.00 0.00 +ATOM 283 2HG2 VAL 17 30.730 25.120 4.250 1.00 0.00 +ATOM 284 3HG2 VAL 17 29.800 23.730 4.890 1.00 0.00 +ATOM 285 C VAL 17 27.950 23.380 2.880 1.00 0.00 +ATOM 286 O VAL 17 27.210 24.110 3.540 1.00 0.00 +ATOM 287 N GLU 18 27.690 22.080 2.740 1.00 0.00 +ATOM 288 H GLU 18 28.340 21.510 2.200 1.00 0.00 +ATOM 289 CA GLU 18 26.530 21.410 3.290 1.00 0.00 +ATOM 290 HA GLU 18 25.660 21.960 2.930 1.00 0.00 +ATOM 291 CB GLU 18 26.410 19.990 2.760 1.00 0.00 +ATOM 292 HB1 GLU 18 26.440 20.030 1.670 1.00 0.00 +ATOM 293 HB2 GLU 18 25.440 19.600 3.070 1.00 0.00 +ATOM 294 CG GLU 18 27.500 19.030 3.250 1.00 0.00 +ATOM 295 HG1 GLU 18 27.430 18.920 4.330 1.00 0.00 +ATOM 296 HG2 GLU 18 28.480 19.460 3.020 1.00 0.00 +ATOM 297 CD GLU 18 27.370 17.660 2.610 1.00 0.00 +ATOM 298 OE1 GLU 18 28.280 17.260 1.850 1.00 0.00 +ATOM 299 OE2 GLU 18 26.380 16.950 2.870 1.00 0.00 +ATOM 300 C GLU 18 26.500 21.430 4.820 1.00 0.00 +ATOM 301 O GLU 18 27.540 21.260 5.460 1.00 0.00 +ATOM 302 N PRO 19 25.320 21.490 5.450 1.00 0.00 +ATOM 303 CD PRO 19 24.090 22.010 4.880 1.00 0.00 +ATOM 304 HD1 PRO 19 23.600 21.240 4.290 1.00 0.00 +ATOM 305 HD2 PRO 19 24.260 22.900 4.280 1.00 0.00 +ATOM 306 CG PRO 19 23.210 22.380 6.070 1.00 0.00 +ATOM 307 HG1 PRO 19 22.150 22.260 5.840 1.00 0.00 +ATOM 308 HG2 PRO 19 23.420 23.390 6.400 1.00 0.00 +ATOM 309 CB PRO 19 23.650 21.380 7.140 1.00 0.00 +ATOM 310 HB1 PRO 19 23.080 20.460 7.030 1.00 0.00 +ATOM 311 HB2 PRO 19 23.520 21.780 8.150 1.00 0.00 +ATOM 312 CA PRO 19 25.130 21.140 6.850 1.00 0.00 +ATOM 313 HA PRO 19 25.740 21.810 7.450 1.00 0.00 +ATOM 314 C PRO 19 25.550 19.700 7.110 1.00 0.00 +ATOM 315 O PRO 19 24.940 18.770 6.590 1.00 0.00 +ATOM 316 N SER 20 26.590 19.550 7.940 1.00 0.00 +ATOM 317 H SER 20 27.010 20.430 8.210 1.00 0.00 +ATOM 318 CA SER 20 27.140 18.380 8.580 1.00 0.00 +ATOM 319 HA SER 20 26.460 18.060 9.370 1.00 0.00 +ATOM 320 CB SER 20 27.350 17.210 7.620 1.00 0.00 +ATOM 321 HB1 SER 20 28.170 16.570 7.950 1.00 0.00 +ATOM 322 HB2 SER 20 27.600 17.590 6.630 1.00 0.00 +ATOM 323 OG SER 20 26.210 16.390 7.580 1.00 0.00 +ATOM 324 HG SER 20 26.320 15.780 6.840 1.00 0.00 +ATOM 325 C SER 20 28.460 18.710 9.270 1.00 0.00 +ATOM 326 O SER 20 29.220 17.810 9.630 1.00 0.00 +ATOM 327 N ASP 21 28.800 19.990 9.440 1.00 0.00 +ATOM 328 H ASP 21 28.130 20.720 9.240 1.00 0.00 +ATOM 329 CA ASP 21 30.060 20.460 9.970 1.00 0.00 +ATOM 330 HA ASP 21 30.460 19.730 10.670 1.00 0.00 +ATOM 331 CB ASP 21 31.090 20.630 8.850 1.00 0.00 +ATOM 332 HB1 ASP 21 31.270 19.650 8.420 1.00 0.00 +ATOM 333 HB2 ASP 21 32.040 20.950 9.300 1.00 0.00 +ATOM 334 CG ASP 21 30.770 21.580 7.710 1.00 0.00 +ATOM 335 OD1 ASP 21 29.750 22.310 7.740 1.00 0.00 +ATOM 336 OD2 ASP 21 31.590 21.630 6.770 1.00 0.00 +ATOM 337 C ASP 21 29.870 21.760 10.750 1.00 0.00 +ATOM 338 O ASP 21 28.810 22.380 10.730 1.00 0.00 +ATOM 339 N THR 22 30.920 22.160 11.480 1.00 0.00 +ATOM 340 H THR 22 31.750 21.580 11.490 1.00 0.00 +ATOM 341 CA THR 22 31.010 23.410 12.200 1.00 0.00 +ATOM 342 HA THR 22 30.100 23.990 12.020 1.00 0.00 +ATOM 343 CB THR 22 31.110 23.200 13.710 1.00 0.00 +ATOM 344 HB THR 22 31.380 24.140 14.180 1.00 0.00 +ATOM 345 CG2 THR 22 29.770 22.740 14.290 1.00 0.00 +ATOM 346 1HG2 THR 22 29.850 22.620 15.370 1.00 0.00 +ATOM 347 2HG2 THR 22 29.010 23.490 14.070 1.00 0.00 +ATOM 348 3HG2 THR 22 29.470 21.800 13.840 1.00 0.00 +ATOM 349 OG1 THR 22 32.070 22.220 14.040 1.00 0.00 +ATOM 350 HG1 THR 22 32.100 22.170 15.000 1.00 0.00 +ATOM 351 C THR 22 32.170 24.250 11.680 1.00 0.00 +ATOM 352 O THR 22 33.240 23.730 11.340 1.00 0.00 +ATOM 353 N ILE 23 31.940 25.560 11.590 1.00 0.00 +ATOM 354 H ILE 23 31.040 25.910 11.880 1.00 0.00 +ATOM 355 CA ILE 23 32.870 26.510 11.000 1.00 0.00 +ATOM 356 HA ILE 23 33.240 26.070 10.080 1.00 0.00 +ATOM 357 CB ILE 23 32.160 27.810 10.620 1.00 0.00 +ATOM 358 HB ILE 23 31.890 28.350 11.530 1.00 0.00 +ATOM 359 CG2 ILE 23 33.090 28.700 9.800 1.00 0.00 +ATOM 360 1HG2 ILE 23 32.580 29.630 9.560 1.00 0.00 +ATOM 361 2HG2 ILE 23 33.970 28.970 10.380 1.00 0.00 +ATOM 362 3HG2 ILE 23 33.390 28.210 8.880 1.00 0.00 +ATOM 363 CG1 ILE 23 30.900 27.560 9.800 1.00 0.00 +ATOM 364 1HG1 ILE 23 30.990 26.630 9.230 1.00 0.00 +ATOM 365 2HG1 ILE 23 30.770 28.350 9.060 1.00 0.00 +ATOM 366 CD ILE 23 29.620 27.520 10.630 1.00 0.00 +ATOM 367 HD1 ILE 23 28.760 27.380 9.970 1.00 0.00 +ATOM 368 HD2 ILE 23 29.630 26.700 11.350 1.00 0.00 +ATOM 369 HD3 ILE 23 29.500 28.460 11.170 1.00 0.00 +ATOM 370 C ILE 23 34.050 26.730 11.930 1.00 0.00 +ATOM 371 O ILE 23 33.920 26.850 13.150 1.00 0.00 +ATOM 372 N GLU 24 35.240 26.790 11.330 1.00 0.00 +ATOM 373 H GLU 24 35.260 26.620 10.330 1.00 0.00 +ATOM 374 CA GLU 24 36.520 26.990 11.980 1.00 0.00 +ATOM 375 HA GLU 24 36.350 27.390 12.980 1.00 0.00 +ATOM 376 CB GLU 24 37.170 25.620 12.120 1.00 0.00 +ATOM 377 HB1 GLU 24 37.550 25.300 11.150 1.00 0.00 +ATOM 378 HB2 GLU 24 36.410 24.910 12.430 1.00 0.00 +ATOM 379 CG GLU 24 38.290 25.520 13.160 1.00 0.00 +ATOM 380 HG1 GLU 24 37.900 25.830 14.130 1.00 0.00 +ATOM 381 HG2 GLU 24 39.110 26.190 12.890 1.00 0.00 +ATOM 382 CD GLU 24 38.830 24.100 13.260 1.00 0.00 +ATOM 383 OE1 GLU 24 39.430 23.600 12.280 1.00 0.00 +ATOM 384 OE2 GLU 24 38.670 23.460 14.320 1.00 0.00 +ATOM 385 C GLU 24 37.370 28.010 11.240 1.00 0.00 +ATOM 386 O GLU 24 38.460 28.380 11.680 1.00 0.00 +ATOM 387 N ASN 25 36.850 28.560 10.140 1.00 0.00 +ATOM 388 H ASN 25 35.920 28.260 9.880 1.00 0.00 +ATOM 389 CA ASN 25 37.510 29.510 9.260 1.00 0.00 +ATOM 390 HA ASN 25 38.580 29.310 9.270 1.00 0.00 +ATOM 391 CB ASN 25 36.980 29.290 7.850 1.00 0.00 +ATOM 392 HB1 ASN 25 37.480 29.990 7.170 1.00 0.00 +ATOM 393 HB2 ASN 25 35.910 29.510 7.820 1.00 0.00 +ATOM 394 CG ASN 25 37.210 27.890 7.290 1.00 0.00 +ATOM 395 OD1 ASN 25 38.010 27.100 7.770 1.00 0.00 +ATOM 396 ND2 ASN 25 36.480 27.530 6.230 1.00 0.00 +ATOM 397 1HD2 ASN 25 35.820 28.170 5.820 1.00 0.00 +ATOM 398 2HD2 ASN 25 36.620 26.600 5.860 1.00 0.00 +ATOM 399 C ASN 25 37.330 30.950 9.720 1.00 0.00 +ATOM 400 O ASN 25 38.090 31.830 9.340 1.00 0.00 +ATOM 401 N VAL 26 36.360 31.190 10.620 1.00 0.00 +ATOM 402 H VAL 26 35.760 30.410 10.860 1.00 0.00 +ATOM 403 CA VAL 26 36.150 32.440 11.330 1.00 0.00 +ATOM 404 HA VAL 26 36.510 33.260 10.710 1.00 0.00 +ATOM 405 CB VAL 26 34.650 32.680 11.550 1.00 0.00 +ATOM 406 HB VAL 26 34.530 33.640 12.060 1.00 0.00 +ATOM 407 CG1 VAL 26 33.920 32.760 10.220 1.00 0.00 +ATOM 408 1HG1 VAL 26 32.870 33.000 10.390 1.00 0.00 +ATOM 409 2HG1 VAL 26 34.360 33.540 9.600 1.00 0.00 +ATOM 410 3HG1 VAL 26 33.980 31.810 9.680 1.00 0.00 +ATOM 411 CG2 VAL 26 34.000 31.610 12.420 1.00 0.00 +ATOM 412 1HG2 VAL 26 32.940 31.830 12.530 1.00 0.00 +ATOM 413 2HG2 VAL 26 34.090 30.620 11.970 1.00 0.00 +ATOM 414 3HG2 VAL 26 34.450 31.600 13.410 1.00 0.00 +ATOM 415 C VAL 26 36.940 32.510 12.630 1.00 0.00 +ATOM 416 O VAL 26 37.140 33.590 13.180 1.00 0.00 +ATOM 417 N LYS 27 37.480 31.370 13.070 1.00 0.00 +ATOM 418 H LYS 27 37.270 30.530 12.530 1.00 0.00 +ATOM 419 CA LYS 27 38.430 31.210 14.160 1.00 0.00 +ATOM 420 HA LYS 27 38.260 32.010 14.880 1.00 0.00 +ATOM 421 CB LYS 27 38.180 29.880 14.870 1.00 0.00 +ATOM 422 HB1 LYS 27 38.800 29.860 15.770 1.00 0.00 +ATOM 423 HB2 LYS 27 38.510 29.070 14.220 1.00 0.00 +ATOM 424 CG LYS 27 36.740 29.620 15.290 1.00 0.00 +ATOM 425 HG1 LYS 27 36.080 29.640 14.420 1.00 0.00 +ATOM 426 HG2 LYS 27 36.410 30.390 16.000 1.00 0.00 +ATOM 427 CD LYS 27 36.630 28.240 15.930 1.00 0.00 +ATOM 428 HD1 LYS 27 37.260 28.190 16.820 1.00 0.00 +ATOM 429 HD2 LYS 27 36.990 27.500 15.220 1.00 0.00 +ATOM 430 CE LYS 27 35.200 27.850 16.320 1.00 0.00 +ATOM 431 HE1 LYS 27 35.170 26.770 16.470 1.00 0.00 +ATOM 432 HE2 LYS 27 34.530 28.080 15.490 1.00 0.00 +ATOM 433 NZ LYS 27 34.770 28.530 17.550 1.00 0.00 +ATOM 434 HZ1 LYS 27 33.830 28.250 17.790 1.00 0.00 +ATOM 435 HZ2 LYS 27 35.350 28.280 18.330 1.00 0.00 +ATOM 436 HZ3 LYS 27 34.800 29.530 17.440 1.00 0.00 +ATOM 437 C LYS 27 39.870 31.310 13.690 1.00 0.00 +ATOM 438 O LYS 27 40.780 31.420 14.520 1.00 0.00 +ATOM 439 N ALA 28 40.100 31.330 12.380 1.00 0.00 +ATOM 440 H ALA 28 39.290 31.200 11.780 1.00 0.00 +ATOM 441 CA ALA 28 41.390 31.380 11.720 1.00 0.00 +ATOM 442 HA ALA 28 42.160 31.090 12.440 1.00 0.00 +ATOM 443 CB ALA 28 41.380 30.340 10.600 1.00 0.00 +ATOM 444 HB1 ALA 28 42.370 30.280 10.150 1.00 0.00 +ATOM 445 HB2 ALA 28 41.120 29.360 11.000 1.00 0.00 +ATOM 446 HB3 ALA 28 40.660 30.630 9.840 1.00 0.00 +ATOM 447 C ALA 28 41.770 32.760 11.200 1.00 0.00 +ATOM 448 O ALA 28 42.880 32.950 10.710 1.00 0.00 +ATOM 449 N LYS 29 40.860 33.740 11.300 1.00 0.00 +ATOM 450 H LYS 29 39.960 33.490 11.680 1.00 0.00 +ATOM 451 CA LYS 29 41.070 35.120 10.920 1.00 0.00 +ATOM 452 HA LYS 29 42.020 35.210 10.390 1.00 0.00 +ATOM 453 CB LYS 29 39.980 35.570 9.950 1.00 0.00 +ATOM 454 HB1 LYS 29 39.020 35.590 10.450 1.00 0.00 +ATOM 455 HB2 LYS 29 39.910 34.850 9.130 1.00 0.00 +ATOM 456 CG LYS 29 40.280 36.950 9.360 1.00 0.00 +ATOM 457 HG1 LYS 29 41.210 36.890 8.790 1.00 0.00 +ATOM 458 HG2 LYS 29 40.410 37.670 10.160 1.00 0.00 +ATOM 459 CD LYS 29 39.160 37.420 8.440 1.00 0.00 +ATOM 460 HD1 LYS 29 38.230 37.460 9.000 1.00 0.00 +ATOM 461 HD2 LYS 29 39.060 36.730 7.610 1.00 0.00 +ATOM 462 CE LYS 29 39.500 38.810 7.910 1.00 0.00 +ATOM 463 HE1 LYS 29 40.470 38.780 7.420 1.00 0.00 +ATOM 464 HE2 LYS 29 39.570 39.500 8.750 1.00 0.00 +ATOM 465 NZ LYS 29 38.480 39.280 6.950 1.00 0.00 +ATOM 466 HZ1 LYS 29 38.690 40.220 6.640 1.00 0.00 +ATOM 467 HZ2 LYS 29 38.450 38.680 6.140 1.00 0.00 +ATOM 468 HZ3 LYS 29 37.560 39.260 7.370 1.00 0.00 +ATOM 469 C LYS 29 41.210 36.010 12.150 1.00 0.00 +ATOM 470 O LYS 29 42.320 36.360 12.550 1.00 0.00 +ATOM 471 N ILE 30 40.080 36.340 12.780 1.00 0.00 +ATOM 472 H ILE 30 39.220 35.970 12.410 1.00 0.00 +ATOM 473 CA ILE 30 39.990 37.340 13.830 1.00 0.00 +ATOM 474 HA ILE 30 40.770 38.080 13.640 1.00 0.00 +ATOM 475 CB ILE 30 38.670 38.090 13.730 1.00 0.00 +ATOM 476 HB ILE 30 38.650 38.840 14.530 1.00 0.00 +ATOM 477 CG2 ILE 30 38.600 38.830 12.400 1.00 0.00 +ATOM 478 1HG2 ILE 30 37.720 39.480 12.370 1.00 0.00 +ATOM 479 2HG2 ILE 30 39.480 39.460 12.280 1.00 0.00 +ATOM 480 3HG2 ILE 30 38.540 38.130 11.570 1.00 0.00 +ATOM 481 CG1 ILE 30 37.470 37.170 13.930 1.00 0.00 +ATOM 482 1HG1 ILE 30 37.610 36.590 14.840 1.00 0.00 +ATOM 483 2HG1 ILE 30 37.400 36.470 13.100 1.00 0.00 +ATOM 484 CD ILE 30 36.130 37.900 14.050 1.00 0.00 +ATOM 485 HD1 ILE 30 35.350 37.170 14.270 1.00 0.00 +ATOM 486 HD2 ILE 30 36.180 38.620 14.870 1.00 0.00 +ATOM 487 HD3 ILE 30 35.880 38.410 13.120 1.00 0.00 +ATOM 488 C ILE 30 40.280 36.810 15.220 1.00 0.00 +ATOM 489 O ILE 30 40.630 37.580 16.120 1.00 0.00 +ATOM 490 N GLN 31 40.230 35.490 15.400 1.00 0.00 +ATOM 491 H GLN 31 39.920 34.920 14.620 1.00 0.00 +ATOM 492 CA GLN 31 40.590 34.810 16.630 1.00 0.00 +ATOM 493 HA GLN 31 40.540 35.530 17.450 1.00 0.00 +ATOM 494 CB GLN 31 39.580 33.720 16.970 1.00 0.00 +ATOM 495 HB1 GLN 31 39.730 33.440 18.010 1.00 0.00 +ATOM 496 HB2 GLN 31 39.760 32.840 16.350 1.00 0.00 +ATOM 497 CG GLN 31 38.130 34.180 16.780 1.00 0.00 +ATOM 498 HG1 GLN 31 37.890 34.190 15.720 1.00 0.00 +ATOM 499 HG2 GLN 31 38.030 35.200 17.150 1.00 0.00 +ATOM 500 CD GLN 31 37.100 33.320 17.490 1.00 0.00 +ATOM 501 OE1 GLN 31 37.290 32.150 17.800 1.00 0.00 +ATOM 502 NE2 GLN 31 35.920 33.890 17.790 1.00 0.00 +ATOM 503 1HE2 GLN 31 35.740 34.850 17.530 1.00 0.00 +ATOM 504 2HE2 GLN 31 35.250 33.350 18.320 1.00 0.00 +ATOM 505 C GLN 31 42.040 34.330 16.600 1.00 0.00 +ATOM 506 O GLN 31 42.650 34.130 17.650 1.00 0.00 +ATOM 507 N ASP 32 42.650 34.260 15.420 1.00 0.00 +ATOM 508 H ASP 32 42.090 34.460 14.600 1.00 0.00 +ATOM 509 CA ASP 32 44.070 34.050 15.210 1.00 0.00 +ATOM 510 HA ASP 32 44.450 33.410 16.010 1.00 0.00 +ATOM 511 CB ASP 32 44.260 33.310 13.880 1.00 0.00 +ATOM 512 HB1 ASP 32 44.040 34.000 13.070 1.00 0.00 +ATOM 513 HB2 ASP 32 43.530 32.500 13.840 1.00 0.00 +ATOM 514 CG ASP 32 45.640 32.700 13.670 1.00 0.00 +ATOM 515 OD1 ASP 32 45.960 32.360 12.510 1.00 0.00 +ATOM 516 OD2 ASP 32 46.400 32.500 14.640 1.00 0.00 +ATOM 517 C ASP 32 44.830 35.360 15.260 1.00 0.00 +ATOM 518 O ASP 32 45.960 35.410 15.750 1.00 0.00 +ATOM 519 N LYS 33 44.200 36.470 14.850 1.00 0.00 +ATOM 520 H LYS 33 43.340 36.350 14.340 1.00 0.00 +ATOM 521 CA LYS 33 44.650 37.830 15.100 1.00 0.00 +ATOM 522 HA LYS 33 45.660 37.940 14.710 1.00 0.00 +ATOM 523 CB LYS 33 43.730 38.800 14.380 1.00 0.00 +ATOM 524 HB1 LYS 33 42.710 38.690 14.760 1.00 0.00 +ATOM 525 HB2 LYS 33 43.730 38.560 13.320 1.00 0.00 +ATOM 526 CG LYS 33 44.140 40.260 14.540 1.00 0.00 +ATOM 527 HG1 LYS 33 45.170 40.380 14.210 1.00 0.00 +ATOM 528 HG2 LYS 33 44.070 40.550 15.600 1.00 0.00 +ATOM 529 CD LYS 33 43.240 41.180 13.730 1.00 0.00 +ATOM 530 HD1 LYS 33 42.210 41.060 14.070 1.00 0.00 +ATOM 531 HD2 LYS 33 43.300 40.910 12.680 1.00 0.00 +ATOM 532 CE LYS 33 43.660 42.640 13.900 1.00 0.00 +ATOM 533 HE1 LYS 33 44.700 42.740 13.600 1.00 0.00 +ATOM 534 HE2 LYS 33 43.590 42.900 14.950 1.00 0.00 +ATOM 535 NZ LYS 33 42.820 43.540 13.100 1.00 0.00 +ATOM 536 HZ1 LYS 33 43.110 44.500 13.220 1.00 0.00 +ATOM 537 HZ2 LYS 33 42.880 43.320 12.120 1.00 0.00 +ATOM 538 HZ3 LYS 33 41.850 43.480 13.370 1.00 0.00 +ATOM 539 C LYS 33 44.720 38.140 16.590 1.00 0.00 +ATOM 540 O LYS 33 45.720 38.700 17.060 1.00 0.00 +ATOM 541 N GLU 34 43.700 37.740 17.360 1.00 0.00 +ATOM 542 H GLU 34 42.880 37.380 16.900 1.00 0.00 +ATOM 543 CA GLU 34 43.720 37.790 18.810 1.00 0.00 +ATOM 544 HA GLU 34 43.960 38.810 19.120 1.00 0.00 +ATOM 545 CB GLU 34 42.330 37.440 19.330 1.00 0.00 +ATOM 546 HB1 GLU 34 42.080 36.430 19.020 1.00 0.00 +ATOM 547 HB2 GLU 34 41.600 38.120 18.880 1.00 0.00 +ATOM 548 CG GLU 34 42.200 37.520 20.850 1.00 0.00 +ATOM 549 HG1 GLU 34 42.850 36.770 21.300 1.00 0.00 +ATOM 550 HG2 GLU 34 41.180 37.240 21.120 1.00 0.00 +ATOM 551 CD GLU 34 42.510 38.900 21.410 1.00 0.00 +ATOM 552 OE1 GLU 34 43.430 39.020 22.250 1.00 0.00 +ATOM 553 OE2 GLU 34 41.850 39.880 21.030 1.00 0.00 +ATOM 554 C GLU 34 44.780 36.870 19.390 1.00 0.00 +ATOM 555 O GLU 34 45.480 37.240 20.330 1.00 0.00 +ATOM 556 N GLY 35 44.960 35.680 18.800 1.00 0.00 +ATOM 557 H GLY 35 44.330 35.430 18.050 1.00 0.00 +ATOM 558 CA GLY 35 45.970 34.710 19.170 1.00 0.00 +ATOM 559 HA1 GLY 35 46.820 35.220 19.610 1.00 0.00 +ATOM 560 HA2 GLY 35 46.300 34.200 18.270 1.00 0.00 +ATOM 561 C GLY 35 45.480 33.650 20.150 1.00 0.00 +ATOM 562 O GLY 35 46.290 32.880 20.660 1.00 0.00 +ATOM 563 N ILE 36 44.170 33.590 20.410 1.00 0.00 +ATOM 564 H ILE 36 43.560 34.210 19.900 1.00 0.00 +ATOM 565 CA ILE 36 43.550 32.540 21.210 1.00 0.00 +ATOM 566 HA ILE 36 44.200 32.380 22.070 1.00 0.00 +ATOM 567 CB ILE 36 42.190 32.960 21.750 1.00 0.00 +ATOM 568 HB ILE 36 41.730 32.070 22.180 1.00 0.00 +ATOM 569 CG2 ILE 36 42.380 33.950 22.890 1.00 0.00 +ATOM 570 1HG2 ILE 36 41.420 34.200 23.340 1.00 0.00 +ATOM 571 2HG2 ILE 36 43.010 33.510 23.670 1.00 0.00 +ATOM 572 3HG2 ILE 36 42.860 34.860 22.530 1.00 0.00 +ATOM 573 CG1 ILE 36 41.230 33.490 20.680 1.00 0.00 +ATOM 574 1HG1 ILE 36 41.210 32.780 19.850 1.00 0.00 +ATOM 575 2HG1 ILE 36 41.590 34.450 20.310 1.00 0.00 +ATOM 576 CD ILE 36 39.790 33.650 21.170 1.00 0.00 +ATOM 577 HD1 ILE 36 39.160 33.920 20.320 1.00 0.00 +ATOM 578 HD2 ILE 36 39.440 32.710 21.590 1.00 0.00 +ATOM 579 HD3 ILE 36 39.720 34.440 21.910 1.00 0.00 +ATOM 580 C ILE 36 43.450 31.230 20.430 1.00 0.00 +ATOM 581 O ILE 36 43.250 31.240 19.210 1.00 0.00 +ATOM 582 N PRO 37 43.540 30.090 21.120 1.00 0.00 +ATOM 583 CD PRO 37 44.150 29.890 22.420 1.00 0.00 +ATOM 584 HD1 PRO 37 43.450 30.220 23.190 1.00 0.00 +ATOM 585 HD2 PRO 37 45.080 30.460 22.490 1.00 0.00 +ATOM 586 CG PRO 37 44.430 28.400 22.530 1.00 0.00 +ATOM 587 HG1 PRO 37 44.380 28.070 23.570 1.00 0.00 +ATOM 588 HG2 PRO 37 45.420 28.190 22.100 1.00 0.00 +ATOM 589 CB PRO 37 43.340 27.780 21.660 1.00 0.00 +ATOM 590 HB1 PRO 37 42.430 27.690 22.250 1.00 0.00 +ATOM 591 HB2 PRO 37 43.650 26.810 21.270 1.00 0.00 +ATOM 592 CA PRO 37 43.160 28.810 20.550 1.00 0.00 +ATOM 593 HA PRO 37 43.850 28.580 19.740 1.00 0.00 +ATOM 594 C PRO 37 41.720 28.780 20.050 1.00 0.00 +ATOM 595 O PRO 37 40.860 29.430 20.660 1.00 0.00 +ATOM 596 N PRO 38 41.350 28.070 18.980 1.00 0.00 +ATOM 597 CD PRO 38 42.280 27.370 18.110 1.00 0.00 +ATOM 598 HD1 PRO 38 42.480 26.360 18.480 1.00 0.00 +ATOM 599 HD2 PRO 38 43.220 27.900 17.940 1.00 0.00 +ATOM 600 CG PRO 38 41.580 27.270 16.760 1.00 0.00 +ATOM 601 HG1 PRO 38 41.880 26.400 16.180 1.00 0.00 +ATOM 602 HG2 PRO 38 41.700 28.180 16.190 1.00 0.00 +ATOM 603 CB PRO 38 40.110 27.140 17.180 1.00 0.00 +ATOM 604 HB1 PRO 38 39.880 26.110 17.410 1.00 0.00 +ATOM 605 HB2 PRO 38 39.430 27.520 16.420 1.00 0.00 +ATOM 606 CA PRO 38 40.010 27.980 18.450 1.00 0.00 +ATOM 607 HA PRO 38 39.700 29.000 18.200 1.00 0.00 +ATOM 608 C PRO 38 39.010 27.410 19.450 1.00 0.00 +ATOM 609 O PRO 38 37.850 27.790 19.440 1.00 0.00 +ATOM 610 N ASP 39 39.420 26.420 20.260 1.00 0.00 +ATOM 611 H ASP 39 40.410 26.200 20.270 1.00 0.00 +ATOM 612 CA ASP 39 38.580 25.630 21.140 1.00 0.00 +ATOM 613 HA ASP 39 37.580 25.630 20.700 1.00 0.00 +ATOM 614 CB ASP 39 39.040 24.180 21.140 1.00 0.00 +ATOM 615 HB1 ASP 39 38.910 23.790 20.130 1.00 0.00 +ATOM 616 HB2 ASP 39 38.370 23.600 21.780 1.00 0.00 +ATOM 617 CG ASP 39 40.490 23.920 21.550 1.00 0.00 +ATOM 618 OD1 ASP 39 41.290 24.870 21.700 1.00 0.00 +ATOM 619 OD2 ASP 39 40.840 22.730 21.690 1.00 0.00 +ATOM 620 C ASP 39 38.420 26.230 22.530 1.00 0.00 +ATOM 621 O ASP 39 38.480 25.530 23.540 1.00 0.00 +ATOM 622 N GLN 40 38.180 27.550 22.570 1.00 0.00 +ATOM 623 H GLN 40 38.210 28.030 21.690 1.00 0.00 +ATOM 624 CA GLN 40 37.760 28.280 23.750 1.00 0.00 +ATOM 625 HA GLN 40 37.520 27.580 24.560 1.00 0.00 +ATOM 626 CB GLN 40 38.870 29.210 24.230 1.00 0.00 +ATOM 627 HB1 GLN 40 38.550 29.650 25.170 1.00 0.00 +ATOM 628 HB2 GLN 40 38.980 30.010 23.500 1.00 0.00 +ATOM 629 CG GLN 40 40.230 28.550 24.430 1.00 0.00 +ATOM 630 HG1 GLN 40 40.640 28.280 23.460 1.00 0.00 +ATOM 631 HG2 GLN 40 40.110 27.650 25.030 1.00 0.00 +ATOM 632 CD GLN 40 41.200 29.490 25.140 1.00 0.00 +ATOM 633 OE1 GLN 40 41.860 29.130 26.110 1.00 0.00 +ATOM 634 NE2 GLN 40 41.330 30.740 24.690 1.00 0.00 +ATOM 635 1HE2 GLN 40 40.770 31.060 23.910 1.00 0.00 +ATOM 636 2HE2 GLN 40 41.960 31.360 25.180 1.00 0.00 +ATOM 637 C GLN 40 36.510 29.120 23.500 1.00 0.00 +ATOM 638 O GLN 40 35.850 29.540 24.440 1.00 0.00 +ATOM 639 N GLN 41 36.200 29.350 22.220 1.00 0.00 +ATOM 640 H GLN 41 36.780 28.940 21.510 1.00 0.00 +ATOM 641 CA GLN 41 35.010 30.040 21.750 1.00 0.00 +ATOM 642 HA GLN 41 34.500 30.510 22.590 1.00 0.00 +ATOM 643 CB GLN 41 35.370 31.110 20.730 1.00 0.00 +ATOM 644 HB1 GLN 41 34.480 31.720 20.550 1.00 0.00 +ATOM 645 HB2 GLN 41 35.630 30.640 19.780 1.00 0.00 +ATOM 646 CG GLN 41 36.520 32.030 21.120 1.00 0.00 +ATOM 647 HG1 GLN 41 36.510 32.910 20.490 1.00 0.00 +ATOM 648 HG2 GLN 41 37.460 31.500 20.950 1.00 0.00 +ATOM 649 CD GLN 41 36.460 32.470 22.580 1.00 0.00 +ATOM 650 OE1 GLN 41 37.300 32.120 23.410 1.00 0.00 +ATOM 651 NE2 GLN 41 35.420 33.210 22.960 1.00 0.00 +ATOM 652 1HE2 GLN 41 34.750 33.510 22.270 1.00 0.00 +ATOM 653 2HE2 GLN 41 35.330 33.430 23.940 1.00 0.00 +ATOM 654 C GLN 41 34.090 28.990 21.140 1.00 0.00 +ATOM 655 O GLN 41 34.520 28.180 20.320 1.00 0.00 +ATOM 656 N ARG 42 32.810 29.000 21.530 1.00 0.00 +ATOM 657 H ARG 42 32.500 29.730 22.160 1.00 0.00 +ATOM 658 CA ARG 42 31.830 28.010 21.120 1.00 0.00 +ATOM 659 HA ARG 42 32.300 27.270 20.470 1.00 0.00 +ATOM 660 CB ARG 42 31.270 27.280 22.340 1.00 0.00 +ATOM 661 HB1 ARG 42 30.550 26.530 21.990 1.00 0.00 +ATOM 662 HB2 ARG 42 30.730 28.000 22.950 1.00 0.00 +ATOM 663 CG ARG 42 32.310 26.590 23.220 1.00 0.00 +ATOM 664 HG1 ARG 42 31.790 26.120 24.050 1.00 0.00 +ATOM 665 HG2 ARG 42 32.980 27.340 23.630 1.00 0.00 +ATOM 666 CD ARG 42 33.130 25.530 22.490 1.00 0.00 +ATOM 667 HD1 ARG 42 33.620 25.990 21.630 1.00 0.00 +ATOM 668 HD2 ARG 42 32.460 24.750 22.140 1.00 0.00 +ATOM 669 NE ARG 42 34.160 24.950 23.350 1.00 0.00 +ATOM 670 HE ARG 42 34.120 25.170 24.340 1.00 0.00 +ATOM 671 CZ ARG 42 35.140 24.130 22.970 1.00 0.00 +ATOM 672 NH1 ARG 42 35.290 23.760 21.690 1.00 0.00 +ATOM 673 1HH1 ARG 42 34.630 24.090 21.000 1.00 0.00 +ATOM 674 2HH1 ARG 42 36.010 23.100 21.430 1.00 0.00 +ATOM 675 NH2 ARG 42 36.010 23.650 23.860 1.00 0.00 +ATOM 676 1HH2 ARG 42 35.970 23.940 24.820 1.00 0.00 +ATOM 677 2HH2 ARG 42 36.790 23.070 23.550 1.00 0.00 +ATOM 678 C ARG 42 30.730 28.670 20.300 1.00 0.00 +ATOM 679 O ARG 42 30.290 29.770 20.610 1.00 0.00 +ATOM 680 N LEU 43 30.290 27.950 19.260 1.00 0.00 +ATOM 681 H LEU 43 30.720 27.060 19.070 1.00 0.00 +ATOM 682 CA LEU 43 29.120 28.320 18.490 1.00 0.00 +ATOM 683 HA LEU 43 29.230 29.350 18.140 1.00 0.00 +ATOM 684 CB LEU 43 28.960 27.410 17.280 1.00 0.00 +ATOM 685 HB1 LEU 43 27.930 27.480 16.940 1.00 0.00 +ATOM 686 HB2 LEU 43 29.130 26.370 17.580 1.00 0.00 +ATOM 687 CG LEU 43 29.850 27.740 16.070 1.00 0.00 +ATOM 688 HG LEU 43 29.550 28.710 15.680 1.00 0.00 +ATOM 689 CD1 LEU 43 31.340 27.770 16.360 1.00 0.00 +ATOM 690 1HD1 LEU 43 31.890 27.940 15.430 1.00 0.00 +ATOM 691 2HD1 LEU 43 31.570 28.600 17.040 1.00 0.00 +ATOM 692 3HD1 LEU 43 31.660 26.830 16.800 1.00 0.00 +ATOM 693 CD2 LEU 43 29.620 26.680 15.000 1.00 0.00 +ATOM 694 1HD2 LEU 43 30.200 26.920 14.110 1.00 0.00 +ATOM 695 2HD2 LEU 43 29.910 25.700 15.370 1.00 0.00 +ATOM 696 3HD2 LEU 43 28.560 26.650 14.730 1.00 0.00 +ATOM 697 C LEU 43 27.890 28.260 19.390 1.00 0.00 +ATOM 698 O LEU 43 27.770 27.380 20.250 1.00 0.00 +ATOM 699 N ILE 44 26.980 29.210 19.180 1.00 0.00 +ATOM 700 H ILE 44 27.210 29.930 18.510 1.00 0.00 +ATOM 701 CA ILE 44 25.760 29.390 19.950 1.00 0.00 +ATOM 702 HA ILE 44 25.760 28.710 20.800 1.00 0.00 +ATOM 703 CB ILE 44 25.670 30.810 20.500 1.00 0.00 +ATOM 704 HB ILE 44 25.660 31.500 19.650 1.00 0.00 +ATOM 705 CG2 ILE 44 24.370 30.990 21.280 1.00 0.00 +ATOM 706 1HG2 ILE 44 24.280 32.010 21.650 1.00 0.00 +ATOM 707 2HG2 ILE 44 23.510 30.810 20.640 1.00 0.00 +ATOM 708 3HG2 ILE 44 24.350 30.300 22.130 1.00 0.00 +ATOM 709 CG1 ILE 44 26.860 31.160 21.390 1.00 0.00 +ATOM 710 1HG1 ILE 44 27.790 30.860 20.900 1.00 0.00 +ATOM 711 2HG1 ILE 44 26.790 30.600 22.320 1.00 0.00 +ATOM 712 CD ILE 44 27.010 32.640 21.700 1.00 0.00 +ATOM 713 HD1 ILE 44 27.920 32.800 22.270 1.00 0.00 +ATOM 714 HD2 ILE 44 27.090 33.210 20.770 1.00 0.00 +ATOM 715 HD3 ILE 44 26.160 33.010 22.280 1.00 0.00 +ATOM 716 C ILE 44 24.590 29.040 19.050 1.00 0.00 +ATOM 717 O ILE 44 24.410 29.640 17.990 1.00 0.00 +ATOM 718 N PHE 45 23.760 28.090 19.490 1.00 0.00 +ATOM 719 H PHE 45 23.980 27.650 20.370 1.00 0.00 +ATOM 720 CA PHE 45 22.480 27.780 18.900 1.00 0.00 +ATOM 721 HA PHE 45 22.160 28.610 18.270 1.00 0.00 +ATOM 722 CB PHE 45 22.580 26.550 18.000 1.00 0.00 +ATOM 723 HB1 PHE 45 22.890 25.690 18.600 1.00 0.00 +ATOM 724 HB2 PHE 45 23.360 26.720 17.250 1.00 0.00 +ATOM 725 CG PHE 45 21.300 26.220 17.270 1.00 0.00 +ATOM 726 CD1 PHE 45 20.580 25.060 17.570 1.00 0.00 +ATOM 727 HD1 PHE 45 20.940 24.370 18.330 1.00 0.00 +ATOM 728 CE1 PHE 45 19.380 24.770 16.900 1.00 0.00 +ATOM 729 HE1 PHE 45 18.840 23.870 17.130 1.00 0.00 +ATOM 730 CZ PHE 45 18.890 25.660 15.940 1.00 0.00 +ATOM 731 HZ PHE 45 17.970 25.440 15.420 1.00 0.00 +ATOM 732 CE2 PHE 45 19.600 26.830 15.640 1.00 0.00 +ATOM 733 HE2 PHE 45 19.230 27.510 14.890 1.00 0.00 +ATOM 734 CD2 PHE 45 20.810 27.100 16.300 1.00 0.00 +ATOM 735 HD2 PHE 45 21.360 28.000 16.050 1.00 0.00 +ATOM 736 C PHE 45 21.440 27.610 20.000 1.00 0.00 +ATOM 737 O PHE 45 21.730 27.030 21.050 1.00 0.00 +ATOM 738 N ALA 46 20.250 28.170 19.810 1.00 0.00 +ATOM 739 H ALA 46 20.090 28.650 18.930 1.00 0.00 +ATOM 740 CA ALA 46 19.180 28.240 20.790 1.00 0.00 +ATOM 741 HA ALA 46 18.370 28.790 20.310 1.00 0.00 +ATOM 742 CB ALA 46 18.630 26.830 21.040 1.00 0.00 +ATOM 743 HB1 ALA 46 17.730 26.890 21.650 1.00 0.00 +ATOM 744 HB2 ALA 46 18.390 26.350 20.100 1.00 0.00 +ATOM 745 HB3 ALA 46 19.370 26.230 21.580 1.00 0.00 +ATOM 746 C ALA 46 19.500 29.030 22.040 1.00 0.00 +ATOM 747 O ALA 46 18.880 28.820 23.090 1.00 0.00 +ATOM 748 N GLY 47 20.460 29.960 21.980 1.00 0.00 +ATOM 749 H GLY 47 20.910 30.110 21.090 1.00 0.00 +ATOM 750 CA GLY 47 20.900 30.750 23.110 1.00 0.00 +ATOM 751 HA1 GLY 47 20.030 31.160 23.640 1.00 0.00 +ATOM 752 HA2 GLY 47 21.500 31.580 22.750 1.00 0.00 +ATOM 753 C GLY 47 21.750 29.980 24.120 1.00 0.00 +ATOM 754 O GLY 47 21.860 30.410 25.270 1.00 0.00 +ATOM 755 N LYS 48 22.340 28.860 23.700 1.00 0.00 +ATOM 756 H LYS 48 22.170 28.580 22.750 1.00 0.00 +ATOM 757 CA LYS 48 23.230 28.020 24.480 1.00 0.00 +ATOM 758 HA LYS 48 23.560 28.550 25.370 1.00 0.00 +ATOM 759 CB LYS 48 22.500 26.750 24.920 1.00 0.00 +ATOM 760 HB1 LYS 48 23.210 26.110 25.440 1.00 0.00 +ATOM 761 HB2 LYS 48 22.140 26.220 24.040 1.00 0.00 +ATOM 762 CG LYS 48 21.320 27.010 25.850 1.00 0.00 +ATOM 763 HG1 LYS 48 20.550 27.590 25.330 1.00 0.00 +ATOM 764 HG2 LYS 48 21.670 27.600 26.710 1.00 0.00 +ATOM 765 CD LYS 48 20.700 25.710 26.350 1.00 0.00 +ATOM 766 HD1 LYS 48 21.450 25.110 26.850 1.00 0.00 +ATOM 767 HD2 LYS 48 20.340 25.150 25.490 1.00 0.00 +ATOM 768 CE LYS 48 19.520 25.930 27.290 1.00 0.00 +ATOM 769 HE1 LYS 48 19.060 24.970 27.490 1.00 0.00 +ATOM 770 HE2 LYS 48 18.780 26.560 26.800 1.00 0.00 +ATOM 771 NZ LYS 48 19.920 26.550 28.570 1.00 0.00 +ATOM 772 HZ1 LYS 48 19.120 26.660 29.180 1.00 0.00 +ATOM 773 HZ2 LYS 48 20.600 25.970 29.060 1.00 0.00 +ATOM 774 HZ3 LYS 48 20.330 27.460 28.430 1.00 0.00 +ATOM 775 C LYS 48 24.460 27.680 23.660 1.00 0.00 +ATOM 776 O LYS 48 24.360 27.370 22.470 1.00 0.00 +ATOM 777 N GLN 49 25.640 27.730 24.280 1.00 0.00 +ATOM 778 H GLN 49 25.660 28.010 25.260 1.00 0.00 +ATOM 779 CA GLN 49 26.870 27.210 23.700 1.00 0.00 +ATOM 780 HA GLN 49 26.990 27.650 22.710 1.00 0.00 +ATOM 781 CB GLN 49 28.070 27.610 24.550 1.00 0.00 +ATOM 782 HB1 GLN 49 28.950 27.080 24.190 1.00 0.00 +ATOM 783 HB2 GLN 49 27.900 27.300 25.580 1.00 0.00 +ATOM 784 CG GLN 49 28.350 29.110 24.500 1.00 0.00 +ATOM 785 HG1 GLN 49 27.510 29.660 24.920 1.00 0.00 +ATOM 786 HG2 GLN 49 28.490 29.410 23.460 1.00 0.00 +ATOM 787 CD GLN 49 29.610 29.490 25.280 1.00 0.00 +ATOM 788 OE1 GLN 49 30.600 29.970 24.730 1.00 0.00 +ATOM 789 NE2 GLN 49 29.630 29.290 26.600 1.00 0.00 +ATOM 790 1HE2 GLN 49 28.840 28.880 27.070 1.00 0.00 +ATOM 791 2HE2 GLN 49 30.470 29.540 27.100 1.00 0.00 +ATOM 792 C GLN 49 26.790 25.700 23.540 1.00 0.00 +ATOM 793 O GLN 49 26.090 25.030 24.300 1.00 0.00 +ATOM 794 N LEU 50 27.500 25.150 22.560 1.00 0.00 +ATOM 795 H LEU 50 28.000 25.770 21.930 1.00 0.00 +ATOM 796 CA LEU 50 27.510 23.730 22.280 1.00 0.00 +ATOM 797 HA LEU 50 26.470 23.440 22.110 1.00 0.00 +ATOM 798 CB LEU 50 28.260 23.450 20.980 1.00 0.00 +ATOM 799 HB1 LEU 50 27.820 24.090 20.210 1.00 0.00 +ATOM 800 HB2 LEU 50 28.050 22.420 20.680 1.00 0.00 +ATOM 801 CG LEU 50 29.770 23.660 21.030 1.00 0.00 +ATOM 802 HG LEU 50 30.020 24.350 21.840 1.00 0.00 +ATOM 803 CD1 LEU 50 30.540 22.370 21.240 1.00 0.00 +ATOM 804 1HD1 LEU 50 31.610 22.570 21.260 1.00 0.00 +ATOM 805 2HD1 LEU 50 30.270 21.910 22.190 1.00 0.00 +ATOM 806 3HD1 LEU 50 30.330 21.660 20.430 1.00 0.00 +ATOM 807 CD2 LEU 50 30.260 24.290 19.730 1.00 0.00 +ATOM 808 1HD2 LEU 50 31.340 24.460 19.780 1.00 0.00 +ATOM 809 2HD2 LEU 50 30.030 23.640 18.890 1.00 0.00 +ATOM 810 3HD2 LEU 50 29.760 25.250 19.590 1.00 0.00 +ATOM 811 C LEU 50 28.010 22.890 23.450 1.00 0.00 +ATOM 812 O LEU 50 28.890 23.290 24.210 1.00 0.00 +ATOM 813 N GLU 51 27.450 21.680 23.580 1.00 0.00 +ATOM 814 H GLU 51 26.770 21.410 22.880 1.00 0.00 +ATOM 815 CA GLU 51 27.870 20.660 24.520 1.00 0.00 +ATOM 816 HA GLU 51 28.630 21.060 25.190 1.00 0.00 +ATOM 817 CB GLU 51 26.700 20.180 25.370 1.00 0.00 +ATOM 818 HB1 GLU 51 27.050 19.400 26.040 1.00 0.00 +ATOM 819 HB2 GLU 51 25.940 19.760 24.720 1.00 0.00 +ATOM 820 CG GLU 51 26.040 21.270 26.220 1.00 0.00 +ATOM 821 HG1 GLU 51 25.730 22.090 25.560 1.00 0.00 +ATOM 822 HG2 GLU 51 26.790 21.670 26.910 1.00 0.00 +ATOM 823 CD GLU 51 24.830 20.800 27.010 1.00 0.00 +ATOM 824 OE1 GLU 51 24.460 19.600 26.940 1.00 0.00 +ATOM 825 OE2 GLU 51 24.210 21.630 27.690 1.00 0.00 +ATOM 826 C GLU 51 28.500 19.490 23.770 1.00 0.00 +ATOM 827 O GLU 51 28.110 19.180 22.650 1.00 0.00 +ATOM 828 N ASP 52 29.450 18.790 24.400 1.00 0.00 +ATOM 829 H ASP 52 29.680 19.020 25.360 1.00 0.00 +ATOM 830 CA ASP 52 30.200 17.720 23.780 1.00 0.00 +ATOM 831 HA ASP 52 30.260 17.910 22.710 1.00 0.00 +ATOM 832 CB ASP 52 31.640 17.720 24.300 1.00 0.00 +ATOM 833 HB1 ASP 52 32.080 18.690 24.060 1.00 0.00 +ATOM 834 HB2 ASP 52 32.210 16.970 23.750 1.00 0.00 +ATOM 835 CG ASP 52 31.820 17.500 25.800 1.00 0.00 +ATOM 836 OD1 ASP 52 30.830 17.410 26.560 1.00 0.00 +ATOM 837 OD2 ASP 52 32.990 17.410 26.230 1.00 0.00 +ATOM 838 C ASP 52 29.550 16.350 23.930 1.00 0.00 +ATOM 839 O ASP 52 30.050 15.370 23.390 1.00 0.00 +ATOM 840 N GLY 53 28.420 16.270 24.630 1.00 0.00 +ATOM 841 H GLY 53 28.090 17.130 25.070 1.00 0.00 +ATOM 842 CA GLY 53 27.580 15.100 24.740 1.00 0.00 +ATOM 843 HA1 GLY 53 27.070 15.130 25.710 1.00 0.00 +ATOM 844 HA2 GLY 53 28.190 14.200 24.710 1.00 0.00 +ATOM 845 C GLY 53 26.510 14.980 23.660 1.00 0.00 +ATOM 846 O GLY 53 25.840 13.960 23.580 1.00 0.00 +ATOM 847 N ARG 54 26.330 16.020 22.840 1.00 0.00 +ATOM 848 H ARG 54 26.940 16.810 22.950 1.00 0.00 +ATOM 849 CA ARG 54 25.330 16.080 21.790 1.00 0.00 +ATOM 850 HA ARG 54 24.370 15.820 22.220 1.00 0.00 +ATOM 851 CB ARG 54 25.230 17.490 21.200 1.00 0.00 +ATOM 852 HB1 ARG 54 24.540 17.470 20.360 1.00 0.00 +ATOM 853 HB2 ARG 54 26.210 17.800 20.840 1.00 0.00 +ATOM 854 CG ARG 54 24.710 18.490 22.230 1.00 0.00 +ATOM 855 HG1 ARG 54 25.400 18.500 23.070 1.00 0.00 +ATOM 856 HG2 ARG 54 23.730 18.160 22.590 1.00 0.00 +ATOM 857 CD ARG 54 24.580 19.910 21.680 1.00 0.00 +ATOM 858 HD1 ARG 54 23.840 19.910 20.880 1.00 0.00 +ATOM 859 HD2 ARG 54 25.540 20.220 21.270 1.00 0.00 +ATOM 860 NE ARG 54 24.170 20.830 22.730 1.00 0.00 +ATOM 861 HE ARG 54 24.040 20.450 23.650 1.00 0.00 +ATOM 862 CZ ARG 54 23.900 22.140 22.600 1.00 0.00 +ATOM 863 NH1 ARG 54 23.980 22.770 21.420 1.00 0.00 +ATOM 864 1HH1 ARG 54 24.200 22.230 20.590 1.00 0.00 +ATOM 865 2HH1 ARG 54 23.740 23.740 21.350 1.00 0.00 +ATOM 866 NH2 ARG 54 23.560 22.880 23.660 1.00 0.00 +ATOM 867 1HH2 ARG 54 23.490 22.460 24.580 1.00 0.00 +ATOM 868 2HH2 ARG 54 23.420 23.870 23.550 1.00 0.00 +ATOM 869 C ARG 54 25.610 15.060 20.690 1.00 0.00 +ATOM 870 O ARG 54 26.750 14.840 20.300 1.00 0.00 +ATOM 871 N THR 55 24.530 14.490 20.150 1.00 0.00 +ATOM 872 H THR 55 23.630 14.760 20.530 1.00 0.00 +ATOM 873 CA THR 55 24.520 13.610 19.000 1.00 0.00 +ATOM 874 HA THR 55 25.540 13.390 18.680 1.00 0.00 +ATOM 875 CB THR 55 23.830 12.280 19.310 1.00 0.00 +ATOM 876 HB THR 55 22.760 12.450 19.440 1.00 0.00 +ATOM 877 CG2 THR 55 24.050 11.240 18.220 1.00 0.00 +ATOM 878 1HG2 THR 55 23.540 10.310 18.490 1.00 0.00 +ATOM 879 2HG2 THR 55 23.650 11.590 17.270 1.00 0.00 +ATOM 880 3HG2 THR 55 25.120 11.040 18.110 1.00 0.00 +ATOM 881 OG1 THR 55 24.340 11.720 20.500 1.00 0.00 +ATOM 882 HG1 THR 55 23.810 10.940 20.690 1.00 0.00 +ATOM 883 C THR 55 23.790 14.320 17.860 1.00 0.00 +ATOM 884 O THR 55 22.770 14.950 18.100 1.00 0.00 +ATOM 885 N LEU 56 24.280 14.210 16.620 1.00 0.00 +ATOM 886 H LEU 56 25.110 13.650 16.470 1.00 0.00 +ATOM 887 CA LEU 56 23.760 14.990 15.520 1.00 0.00 +ATOM 888 HA LEU 56 23.770 16.030 15.840 1.00 0.00 +ATOM 889 CB LEU 56 24.700 14.860 14.320 1.00 0.00 +ATOM 890 HB1 LEU 56 24.640 13.840 13.940 1.00 0.00 +ATOM 891 HB2 LEU 56 25.720 15.030 14.670 1.00 0.00 +ATOM 892 CG LEU 56 24.430 15.830 13.180 1.00 0.00 +ATOM 893 HG LEU 56 23.420 15.670 12.790 1.00 0.00 +ATOM 894 CD1 LEU 56 24.580 17.300 13.570 1.00 0.00 +ATOM 895 1HD1 LEU 56 24.440 17.930 12.700 1.00 0.00 +ATOM 896 2HD1 LEU 56 23.820 17.570 14.310 1.00 0.00 +ATOM 897 3HD1 LEU 56 25.570 17.470 13.990 1.00 0.00 +ATOM 898 CD2 LEU 56 25.410 15.560 12.040 1.00 0.00 +ATOM 899 1HD2 LEU 56 25.210 16.240 11.210 1.00 0.00 +ATOM 900 2HD2 LEU 56 26.430 15.690 12.380 1.00 0.00 +ATOM 901 3HD2 LEU 56 25.280 14.540 11.680 1.00 0.00 +ATOM 902 C LEU 56 22.310 14.650 15.170 1.00 0.00 +ATOM 903 O LEU 56 21.600 15.510 14.650 1.00 0.00 +ATOM 904 N SER 57 21.840 13.460 15.520 1.00 0.00 +ATOM 905 H SER 57 22.460 12.810 15.980 1.00 0.00 +ATOM 906 CA SER 57 20.450 13.040 15.380 1.00 0.00 +ATOM 907 HA SER 57 20.160 13.150 14.340 1.00 0.00 +ATOM 908 CB SER 57 20.330 11.570 15.750 1.00 0.00 +ATOM 909 HB1 SER 57 20.850 10.970 15.010 1.00 0.00 +ATOM 910 HB2 SER 57 19.270 11.280 15.740 1.00 0.00 +ATOM 911 OG SER 57 20.870 11.310 17.020 1.00 0.00 +ATOM 912 HG SER 57 20.630 10.410 17.270 1.00 0.00 +ATOM 913 C SER 57 19.470 13.860 16.220 1.00 0.00 +ATOM 914 O SER 57 18.380 14.170 15.750 1.00 0.00 +ATOM 915 N ASP 58 19.860 14.240 17.440 1.00 0.00 +ATOM 916 H ASP 58 20.790 13.960 17.730 1.00 0.00 +ATOM 917 CA ASP 58 19.050 14.970 18.400 1.00 0.00 +ATOM 918 HA ASP 58 18.020 14.980 18.050 1.00 0.00 +ATOM 919 CB ASP 58 19.050 14.240 19.740 1.00 0.00 +ATOM 920 HB1 ASP 58 18.430 14.810 20.440 1.00 0.00 +ATOM 921 HB2 ASP 58 20.070 14.250 20.130 1.00 0.00 +ATOM 922 CG ASP 58 18.540 12.810 19.730 1.00 0.00 +ATOM 923 OD1 ASP 58 18.790 12.100 20.730 1.00 0.00 +ATOM 924 OD2 ASP 58 17.820 12.380 18.800 1.00 0.00 +ATOM 925 C ASP 58 19.450 16.430 18.560 1.00 0.00 +ATOM 926 O ASP 58 18.760 17.180 19.250 1.00 0.00 +ATOM 927 N TYR 59 20.530 16.860 17.910 1.00 0.00 +ATOM 928 H TYR 59 21.060 16.160 17.400 1.00 0.00 +ATOM 929 CA TYR 59 20.990 18.230 17.840 1.00 0.00 +ATOM 930 HA TYR 59 20.550 18.800 18.660 1.00 0.00 +ATOM 931 CB TYR 59 22.510 18.250 18.010 1.00 0.00 +ATOM 932 HB1 TYR 59 22.950 17.650 17.220 1.00 0.00 +ATOM 933 HB2 TYR 59 22.740 17.760 18.960 1.00 0.00 +ATOM 934 CG TYR 59 23.210 19.590 18.020 1.00 0.00 +ATOM 935 CD1 TYR 59 24.590 19.610 17.810 1.00 0.00 +ATOM 936 HD1 TYR 59 25.120 18.690 17.620 1.00 0.00 +ATOM 937 CE1 TYR 59 25.300 20.820 17.850 1.00 0.00 +ATOM 938 HE1 TYR 59 26.370 20.840 17.690 1.00 0.00 +ATOM 939 CZ TYR 59 24.620 22.030 18.080 1.00 0.00 +ATOM 940 OH TYR 59 25.300 23.210 18.140 1.00 0.00 +ATOM 941 HH TYR 59 24.710 23.960 18.250 1.00 0.00 +ATOM 942 CE2 TYR 59 23.220 22.010 18.290 1.00 0.00 +ATOM 943 HE2 TYR 59 22.690 22.930 18.470 1.00 0.00 +ATOM 944 CD2 TYR 59 22.530 20.790 18.260 1.00 0.00 +ATOM 945 HD2 TYR 59 21.460 20.800 18.440 1.00 0.00 +ATOM 946 C TYR 59 20.530 18.860 16.530 1.00 0.00 +ATOM 947 O TYR 59 19.710 19.780 16.540 1.00 0.00 +ATOM 948 N ASN 60 21.000 18.290 15.420 1.00 0.00 +ATOM 949 H ASN 60 21.640 17.520 15.550 1.00 0.00 +ATOM 950 CA ASN 60 20.680 18.580 14.030 1.00 0.00 +ATOM 951 HA ASN 60 21.260 17.870 13.440 1.00 0.00 +ATOM 952 CB ASN 60 19.210 18.240 13.770 1.00 0.00 +ATOM 953 HB1 ASN 60 18.580 18.990 14.250 1.00 0.00 +ATOM 954 HB2 ASN 60 18.980 17.270 14.210 1.00 0.00 +ATOM 955 CG ASN 60 18.850 18.170 12.290 1.00 0.00 +ATOM 956 OD1 ASN 60 19.690 18.150 11.400 1.00 0.00 +ATOM 957 ND2 ASN 60 17.550 18.120 11.990 1.00 0.00 +ATOM 958 1HD2 ASN 60 16.860 18.130 12.720 1.00 0.00 +ATOM 959 2HD2 ASN 60 17.290 18.060 11.010 1.00 0.00 +ATOM 960 C ASN 60 21.090 19.970 13.580 1.00 0.00 +ATOM 961 O ASN 60 20.500 20.980 13.950 1.00 0.00 +ATOM 962 N ILE 61 22.100 20.020 12.700 1.00 0.00 +ATOM 963 H ILE 61 22.490 19.140 12.390 1.00 0.00 +ATOM 964 CA ILE 61 22.510 21.220 11.990 1.00 0.00 +ATOM 965 HA ILE 61 22.140 22.100 12.520 1.00 0.00 +ATOM 966 CB ILE 61 24.030 21.340 11.930 1.00 0.00 +ATOM 967 HB ILE 61 24.420 20.500 11.350 1.00 0.00 +ATOM 968 CG2 ILE 61 24.450 22.620 11.200 1.00 0.00 +ATOM 969 1HG2 ILE 61 25.530 22.690 11.170 1.00 0.00 +ATOM 970 2HG2 ILE 61 24.090 22.610 10.170 1.00 0.00 +ATOM 971 3HG2 ILE 61 24.040 23.500 11.700 1.00 0.00 +ATOM 972 CG1 ILE 61 24.700 21.280 13.300 1.00 0.00 +ATOM 973 1HG1 ILE 61 25.780 21.350 13.160 1.00 0.00 +ATOM 974 2HG1 ILE 61 24.510 20.300 13.740 1.00 0.00 +ATOM 975 CD ILE 61 24.280 22.340 14.300 1.00 0.00 +ATOM 976 HD1 ILE 61 24.820 22.180 15.240 1.00 0.00 +ATOM 977 HD2 ILE 61 24.520 23.340 13.940 1.00 0.00 +ATOM 978 HD3 ILE 61 23.210 22.280 14.510 1.00 0.00 +ATOM 979 C ILE 61 21.860 21.190 10.610 1.00 0.00 +ATOM 980 O ILE 61 22.020 20.230 9.860 1.00 0.00 +ATOM 981 N GLN 62 21.120 22.250 10.290 1.00 0.00 +ATOM 982 H GLN 62 21.090 23.020 10.950 1.00 0.00 +ATOM 983 CA GLN 62 20.400 22.430 9.040 1.00 0.00 +ATOM 984 HA GLN 62 20.720 21.660 8.330 1.00 0.00 +ATOM 985 CB GLN 62 18.900 22.270 9.260 1.00 0.00 +ATOM 986 HB1 GLN 62 18.400 22.370 8.300 1.00 0.00 +ATOM 987 HB2 GLN 62 18.540 23.070 9.910 1.00 0.00 +ATOM 988 CG GLN 62 18.500 20.920 9.850 1.00 0.00 +ATOM 989 HG1 GLN 62 18.830 20.860 10.890 1.00 0.00 +ATOM 990 HG2 GLN 62 18.970 20.120 9.290 1.00 0.00 +ATOM 991 CD GLN 62 16.990 20.720 9.830 1.00 0.00 +ATOM 992 OE1 GLN 62 16.220 21.420 10.490 1.00 0.00 +ATOM 993 NE2 GLN 62 16.480 19.770 9.040 1.00 0.00 +ATOM 994 1HE2 GLN 62 17.080 19.200 8.460 1.00 0.00 +ATOM 995 2HE2 GLN 62 15.470 19.670 9.010 1.00 0.00 +ATOM 996 C GLN 62 20.740 23.770 8.420 1.00 0.00 +ATOM 997 O GLN 62 21.360 24.630 9.040 1.00 0.00 +ATOM 998 N LYS 63 20.320 23.960 7.170 1.00 0.00 +ATOM 999 H LYS 63 19.800 23.220 6.720 1.00 0.00 +ATOM 1000 CA LYS 63 20.520 25.190 6.420 1.00 0.00 +ATOM 1001 HA LYS 63 21.600 25.370 6.400 1.00 0.00 +ATOM 1002 CB LYS 63 20.070 25.020 4.970 1.00 0.00 +ATOM 1003 HB1 LYS 63 20.670 24.210 4.550 1.00 0.00 +ATOM 1004 HB2 LYS 63 20.300 25.920 4.410 1.00 0.00 +ATOM 1005 CG LYS 63 18.600 24.650 4.750 1.00 0.00 +ATOM 1006 HG1 LYS 63 18.230 24.040 5.580 1.00 0.00 +ATOM 1007 HG2 LYS 63 18.550 24.040 3.850 1.00 0.00 +ATOM 1008 CD LYS 63 17.690 25.860 4.560 1.00 0.00 +ATOM 1009 HD1 LYS 63 18.050 26.460 3.720 1.00 0.00 +ATOM 1010 HD2 LYS 63 17.670 26.470 5.460 1.00 0.00 +ATOM 1011 CE LYS 63 16.260 25.390 4.250 1.00 0.00 +ATOM 1012 HE1 LYS 63 15.910 24.770 5.070 1.00 0.00 +ATOM 1013 HE2 LYS 63 16.280 24.780 3.350 1.00 0.00 +ATOM 1014 NZ LYS 63 15.360 26.540 4.060 1.00 0.00 +ATOM 1015 HZ1 LYS 63 14.420 26.230 3.870 1.00 0.00 +ATOM 1016 HZ2 LYS 63 15.340 27.130 4.880 1.00 0.00 +ATOM 1017 HZ3 LYS 63 15.660 27.120 3.290 1.00 0.00 +ATOM 1018 C LYS 63 19.900 26.400 7.100 1.00 0.00 +ATOM 1019 O LYS 63 18.880 26.290 7.790 1.00 0.00 +ATOM 1020 N GLU 64 20.520 27.570 6.890 1.00 0.00 +ATOM 1021 H GLU 64 21.330 27.540 6.290 1.00 0.00 +ATOM 1022 CA GLU 64 20.100 28.850 7.420 1.00 0.00 +ATOM 1023 HA GLU 64 20.880 29.570 7.140 1.00 0.00 +ATOM 1024 CB GLU 64 18.820 29.320 6.740 1.00 0.00 +ATOM 1025 HB1 GLU 64 18.530 30.300 7.150 1.00 0.00 +ATOM 1026 HB2 GLU 64 18.010 28.620 6.970 1.00 0.00 +ATOM 1027 CG GLU 64 18.950 29.470 5.230 1.00 0.00 +ATOM 1028 HG1 GLU 64 19.180 28.500 4.790 1.00 0.00 +ATOM 1029 HG2 GLU 64 19.790 30.130 5.020 1.00 0.00 +ATOM 1030 CD GLU 64 17.670 30.000 4.610 1.00 0.00 +ATOM 1031 OE1 GLU 64 17.710 31.110 4.030 1.00 0.00 +ATOM 1032 OE2 GLU 64 16.640 29.310 4.650 1.00 0.00 +ATOM 1033 C GLU 64 20.050 28.920 8.940 1.00 0.00 +ATOM 1034 O GLU 64 19.400 29.800 9.500 1.00 0.00 +ATOM 1035 N SER 65 20.750 28.030 9.640 1.00 0.00 +ATOM 1036 H SER 65 21.280 27.330 9.130 1.00 0.00 +ATOM 1037 CA SER 65 20.900 28.090 11.080 1.00 0.00 +ATOM 1038 HA SER 65 19.920 28.210 11.530 1.00 0.00 +ATOM 1039 CB SER 65 21.510 26.790 11.600 1.00 0.00 +ATOM 1040 HB1 SER 65 22.510 26.650 11.190 1.00 0.00 +ATOM 1041 HB2 SER 65 20.880 25.950 11.300 1.00 0.00 +ATOM 1042 OG SER 65 21.570 26.820 13.010 1.00 0.00 +ATOM 1043 HG SER 65 21.960 26.000 13.310 1.00 0.00 +ATOM 1044 C SER 65 21.770 29.290 11.440 1.00 0.00 +ATOM 1045 O SER 65 22.890 29.410 10.950 1.00 0.00 +ATOM 1046 N THR 66 21.250 30.200 12.270 1.00 0.00 +ATOM 1047 H THR 66 20.310 30.080 12.620 1.00 0.00 +ATOM 1048 CA THR 66 22.030 31.280 12.830 1.00 0.00 +ATOM 1049 HA THR 66 22.620 31.720 12.030 1.00 0.00 +ATOM 1050 CB THR 66 21.180 32.400 13.420 1.00 0.00 +ATOM 1051 HB THR 66 21.810 33.060 14.010 1.00 0.00 +ATOM 1052 CG2 THR 66 20.520 33.220 12.320 1.00 0.00 +ATOM 1053 1HG2 THR 66 19.930 34.030 12.770 1.00 0.00 +ATOM 1054 2HG2 THR 66 21.290 33.660 11.680 1.00 0.00 +ATOM 1055 3HG2 THR 66 19.870 32.590 11.720 1.00 0.00 +ATOM 1056 OG1 THR 66 20.150 31.890 14.240 1.00 0.00 +ATOM 1057 HG1 THR 66 19.720 32.650 14.650 1.00 0.00 +ATOM 1058 C THR 66 23.010 30.750 13.870 1.00 0.00 +ATOM 1059 O THR 66 22.660 29.970 14.750 1.00 0.00 +ATOM 1060 N LEU 67 24.260 31.200 13.750 1.00 0.00 +ATOM 1061 H LEU 67 24.470 31.830 12.980 1.00 0.00 +ATOM 1062 CA LEU 67 25.380 30.840 14.600 1.00 0.00 +ATOM 1063 HA LEU 67 25.020 30.390 15.520 1.00 0.00 +ATOM 1064 CB LEU 67 26.300 29.860 13.880 1.00 0.00 +ATOM 1065 HB1 LEU 67 27.160 29.660 14.520 1.00 0.00 +ATOM 1066 HB2 LEU 67 26.680 30.350 12.980 1.00 0.00 +ATOM 1067 CG LEU 67 25.660 28.530 13.480 1.00 0.00 +ATOM 1068 HG LEU 67 24.730 28.710 12.950 1.00 0.00 +ATOM 1069 CD1 LEU 67 26.600 27.790 12.530 1.00 0.00 +ATOM 1070 1HD1 LEU 67 26.170 26.830 12.260 1.00 0.00 +ATOM 1071 2HD1 LEU 67 26.740 28.380 11.630 1.00 0.00 +ATOM 1072 3HD1 LEU 67 27.570 27.630 13.000 1.00 0.00 +ATOM 1073 CD2 LEU 67 25.380 27.640 14.690 1.00 0.00 +ATOM 1074 1HD2 LEU 67 24.930 26.710 14.350 1.00 0.00 +ATOM 1075 2HD2 LEU 67 26.300 27.430 15.230 1.00 0.00 +ATOM 1076 3HD2 LEU 67 24.670 28.140 15.350 1.00 0.00 +ATOM 1077 C LEU 67 26.130 32.120 14.950 1.00 0.00 +ATOM 1078 O LEU 67 26.330 32.990 14.110 1.00 0.00 +ATOM 1079 N HIS 68 26.570 32.210 16.210 1.00 0.00 +ATOM 1080 H HIS 68 26.390 31.430 16.830 1.00 0.00 +ATOM 1081 CA HIS 68 27.390 33.290 16.710 1.00 0.00 +ATOM 1082 HA HIS 68 27.910 33.770 15.880 1.00 0.00 +ATOM 1083 CB HIS 68 26.510 34.330 17.390 1.00 0.00 +ATOM 1084 HB1 HIS 68 25.990 33.870 18.240 1.00 0.00 +ATOM 1085 HB2 HIS 68 25.750 34.660 16.680 1.00 0.00 +ATOM 1086 CG HIS 68 27.240 35.550 17.880 1.00 0.00 +ATOM 1087 ND1 HIS 68 27.770 35.710 19.160 1.00 0.00 +ATOM 1088 CE1 HIS 68 28.280 36.950 19.200 1.00 0.00 +ATOM 1089 HE1 HIS 68 28.740 37.400 20.070 1.00 0.00 +ATOM 1090 NE2 HIS 68 28.100 37.570 18.020 1.00 0.00 +ATOM 1091 HE2 HIS 68 28.380 38.520 17.810 1.00 0.00 +ATOM 1092 CD2 HIS 68 27.450 36.700 17.170 1.00 0.00 +ATOM 1093 HD2 HIS 68 27.140 36.900 16.160 1.00 0.00 +ATOM 1094 C HIS 68 28.440 32.700 17.640 1.00 0.00 +ATOM 1095 O HIS 68 28.190 31.690 18.310 1.00 0.00 +ATOM 1096 N LEU 69 29.620 33.310 17.660 1.00 0.00 +ATOM 1097 H LEU 69 29.740 34.120 17.070 1.00 0.00 +ATOM 1098 CA LEU 69 30.700 33.020 18.590 1.00 0.00 +ATOM 1099 HA LEU 69 30.260 32.560 19.470 1.00 0.00 +ATOM 1100 CB LEU 69 31.700 32.030 18.020 1.00 0.00 +ATOM 1101 HB1 LEU 69 31.190 31.080 17.830 1.00 0.00 +ATOM 1102 HB2 LEU 69 32.430 31.840 18.820 1.00 0.00 +ATOM 1103 CG LEU 69 32.470 32.430 16.760 1.00 0.00 +ATOM 1104 HG LEU 69 32.810 33.460 16.840 1.00 0.00 +ATOM 1105 CD1 LEU 69 33.700 31.540 16.610 1.00 0.00 +ATOM 1106 1HD1 LEU 69 34.290 31.880 15.760 1.00 0.00 +ATOM 1107 2HD1 LEU 69 34.330 31.610 17.500 1.00 0.00 +ATOM 1108 3HD1 LEU 69 33.380 30.510 16.440 1.00 0.00 +ATOM 1109 CD2 LEU 69 31.670 32.250 15.480 1.00 0.00 +ATOM 1110 1HD2 LEU 69 32.280 32.550 14.620 1.00 0.00 +ATOM 1111 2HD2 LEU 69 31.360 31.210 15.360 1.00 0.00 +ATOM 1112 3HD2 LEU 69 30.790 32.890 15.480 1.00 0.00 +ATOM 1113 C LEU 69 31.310 34.350 19.020 1.00 0.00 +ATOM 1114 O LEU 69 31.530 35.250 18.220 1.00 0.00 +ATOM 1115 N VAL 70 31.580 34.450 20.330 1.00 0.00 +ATOM 1116 H VAL 70 31.380 33.660 20.920 1.00 0.00 +ATOM 1117 CA VAL 70 32.170 35.630 20.930 1.00 0.00 +ATOM 1118 HA VAL 70 31.830 36.500 20.360 1.00 0.00 +ATOM 1119 CB VAL 70 31.700 35.840 22.370 1.00 0.00 +ATOM 1120 HB VAL 70 32.150 36.760 22.740 1.00 0.00 +ATOM 1121 CG1 VAL 70 30.190 36.010 22.430 1.00 0.00 +ATOM 1122 1HG1 VAL 70 29.880 36.190 23.460 1.00 0.00 +ATOM 1123 2HG1 VAL 70 29.900 36.880 21.840 1.00 0.00 +ATOM 1124 3HG1 VAL 70 29.680 35.130 22.060 1.00 0.00 +ATOM 1125 CG2 VAL 70 32.120 34.710 23.300 1.00 0.00 +ATOM 1126 1HG2 VAL 70 31.760 34.910 24.310 1.00 0.00 +ATOM 1127 2HG2 VAL 70 31.700 33.760 22.960 1.00 0.00 +ATOM 1128 3HG2 VAL 70 33.200 34.640 23.340 1.00 0.00 +ATOM 1129 C VAL 70 33.690 35.580 20.820 1.00 0.00 +ATOM 1130 O VAL 70 34.280 34.510 20.700 1.00 0.00 +ATOM 1131 N LEU 71 34.330 36.750 20.920 1.00 0.00 +ATOM 1132 H LEU 71 33.770 37.580 21.050 1.00 0.00 +ATOM 1133 CA LEU 71 35.740 36.880 21.190 1.00 0.00 +ATOM 1134 HA LEU 71 36.240 35.930 20.990 1.00 0.00 +ATOM 1135 CB LEU 71 36.340 37.960 20.290 1.00 0.00 +ATOM 1136 HB1 LEU 71 35.970 38.930 20.620 1.00 0.00 +ATOM 1137 HB2 LEU 71 35.990 37.810 19.270 1.00 0.00 +ATOM 1138 CG LEU 71 37.860 37.980 20.300 1.00 0.00 +ATOM 1139 HG LEU 71 38.230 37.880 21.330 1.00 0.00 +ATOM 1140 CD1 LEU 71 38.430 36.840 19.460 1.00 0.00 +ATOM 1141 1HD1 LEU 71 39.520 36.860 19.480 1.00 0.00 +ATOM 1142 2HD1 LEU 71 38.090 35.880 19.830 1.00 0.00 +ATOM 1143 3HD1 LEU 71 38.100 36.970 18.420 1.00 0.00 +ATOM 1144 CD2 LEU 71 38.370 39.290 19.720 1.00 0.00 +ATOM 1145 1HD2 LEU 71 39.460 39.290 19.710 1.00 0.00 +ATOM 1146 2HD2 LEU 71 38.000 39.420 18.710 1.00 0.00 +ATOM 1147 3HD2 LEU 71 38.030 40.120 20.340 1.00 0.00 +ATOM 1148 C LEU 71 35.900 37.200 22.670 1.00 0.00 +ATOM 1149 O LEU 71 35.430 38.240 23.130 1.00 0.00 +ATOM 1150 N ARG 72 36.500 36.280 23.440 1.00 0.00 +ATOM 1151 H ARG 72 36.870 35.460 23.000 1.00 0.00 +ATOM 1152 CA ARG 72 36.580 36.370 24.880 1.00 0.00 +ATOM 1153 HA ARG 72 36.580 37.430 25.170 1.00 0.00 +ATOM 1154 CB ARG 72 35.360 35.710 25.500 1.00 0.00 +ATOM 1155 HB1 ARG 72 35.430 34.630 25.380 1.00 0.00 +ATOM 1156 HB2 ARG 72 34.480 36.050 24.950 1.00 0.00 +ATOM 1157 CG ARG 72 35.150 36.030 26.980 1.00 0.00 +ATOM 1158 HG1 ARG 72 35.170 37.110 27.120 1.00 0.00 +ATOM 1159 HG2 ARG 72 35.970 35.590 27.550 1.00 0.00 +ATOM 1160 CD ARG 72 33.830 35.480 27.510 1.00 0.00 +ATOM 1161 HD1 ARG 72 33.820 35.610 28.590 1.00 0.00 +ATOM 1162 HD2 ARG 72 33.790 34.410 27.290 1.00 0.00 +ATOM 1163 NE ARG 72 32.670 36.150 26.930 1.00 0.00 +ATOM 1164 HE ARG 72 32.840 36.990 26.400 1.00 0.00 +ATOM 1165 CZ ARG 72 31.390 35.770 27.060 1.00 0.00 +ATOM 1166 NH1 ARG 72 31.030 34.700 27.770 1.00 0.00 +ATOM 1167 1HH1 ARG 72 31.740 34.160 28.250 1.00 0.00 +ATOM 1168 2HH1 ARG 72 30.060 34.440 27.850 1.00 0.00 +ATOM 1169 NH2 ARG 72 30.420 36.470 26.460 1.00 0.00 +ATOM 1170 1HH2 ARG 72 30.640 37.300 25.930 1.00 0.00 +ATOM 1171 2HH2 ARG 72 29.460 36.180 26.570 1.00 0.00 +ATOM 1172 C ARG 72 37.890 35.770 25.380 1.00 0.00 +ATOM 1173 O ARG 72 38.380 34.780 24.840 1.00 0.00 +ATOM 1174 N LEU 73 38.430 36.360 26.450 1.00 0.00 +ATOM 1175 H LEU 73 37.950 37.170 26.830 1.00 0.00 +ATOM 1176 CA LEU 73 39.520 35.830 27.240 1.00 0.00 +ATOM 1177 HA LEU 73 39.700 34.790 26.960 1.00 0.00 +ATOM 1178 CB LEU 73 40.820 36.600 27.010 1.00 0.00 +ATOM 1179 HB1 LEU 73 41.550 36.180 27.700 1.00 0.00 +ATOM 1180 HB2 LEU 73 40.690 37.650 27.280 1.00 0.00 +ATOM 1181 CG LEU 73 41.390 36.500 25.600 1.00 0.00 +ATOM 1182 HG LEU 73 41.150 35.520 25.180 1.00 0.00 +ATOM 1183 CD1 LEU 73 40.870 37.590 24.660 1.00 0.00 +ATOM 1184 1HD1 LEU 73 41.340 37.480 23.680 1.00 0.00 +ATOM 1185 2HD1 LEU 73 39.790 37.500 24.530 1.00 0.00 +ATOM 1186 3HD1 LEU 73 41.100 38.570 25.070 1.00 0.00 +ATOM 1187 CD2 LEU 73 42.910 36.630 25.640 1.00 0.00 +ATOM 1188 1HD2 LEU 73 43.320 36.590 24.620 1.00 0.00 +ATOM 1189 2HD2 LEU 73 43.190 37.580 26.090 1.00 0.00 +ATOM 1190 3HD2 LEU 73 43.340 35.810 26.210 1.00 0.00 +ATOM 1191 C LEU 73 39.090 35.870 28.700 1.00 0.00 +ATOM 1192 O LEU 73 38.510 36.860 29.150 1.00 0.00 +ATOM 1193 N ARG 74 39.360 34.790 29.430 1.00 0.00 +ATOM 1194 H ARG 74 39.940 34.080 29.010 1.00 0.00 +ATOM 1195 CA ARG 74 39.090 34.650 30.840 1.00 0.00 +ATOM 1196 HA ARG 74 38.830 35.630 31.260 1.00 0.00 +ATOM 1197 CB ARG 74 37.930 33.700 31.120 1.00 0.00 +ATOM 1198 HB1 ARG 74 37.770 33.680 32.200 1.00 0.00 +ATOM 1199 HB2 ARG 74 38.210 32.690 30.830 1.00 0.00 +ATOM 1200 CG ARG 74 36.600 34.070 30.470 1.00 0.00 +ATOM 1201 HG1 ARG 74 36.650 35.060 30.010 1.00 0.00 +ATOM 1202 HG2 ARG 74 35.840 34.130 31.250 1.00 0.00 +ATOM 1203 CD ARG 74 36.110 33.050 29.440 1.00 0.00 +ATOM 1204 HD1 ARG 74 35.130 33.380 29.090 1.00 0.00 +ATOM 1205 HD2 ARG 74 35.990 32.090 29.930 1.00 0.00 +ATOM 1206 NE ARG 74 37.020 32.910 28.300 1.00 0.00 +ATOM 1207 HE ARG 74 37.920 33.350 28.400 1.00 0.00 +ATOM 1208 CZ ARG 74 36.810 32.220 27.180 1.00 0.00 +ATOM 1209 NH1 ARG 74 35.680 31.560 26.930 1.00 0.00 +ATOM 1210 1HH1 ARG 74 34.950 31.550 27.620 1.00 0.00 +ATOM 1211 2HH1 ARG 74 35.610 30.970 26.110 1.00 0.00 +ATOM 1212 NH2 ARG 74 37.760 32.160 26.230 1.00 0.00 +ATOM 1213 1HH2 ARG 74 38.630 32.660 26.330 1.00 0.00 +ATOM 1214 2HH2 ARG 74 37.530 31.820 25.310 1.00 0.00 +ATOM 1215 C ARG 74 40.360 34.200 31.550 1.00 0.00 +ATOM 1216 O ARG 74 41.250 33.630 30.930 1.00 0.00 +ATOM 1217 N GLY 75 40.440 34.470 32.860 1.00 0.00 +ATOM 1218 H GLY 75 39.670 34.950 33.300 1.00 0.00 +ATOM 1219 CA GLY 75 41.520 33.980 33.700 1.00 0.00 +ATOM 1220 HA1 GLY 75 41.480 34.500 34.660 1.00 0.00 +ATOM 1221 HA2 GLY 75 42.480 34.210 33.240 1.00 0.00 +ATOM 1222 C GLY 75 41.460 32.480 33.970 1.00 0.00 +ATOM 1223 O GLY 75 40.660 31.750 33.390 1.00 0.00 +ATOM 1224 N GLY 76 42.330 32.020 34.870 1.00 0.00 +ATOM 1225 H GLY 76 42.940 32.690 35.320 1.00 0.00 +ATOM 1226 CA GLY 76 42.420 30.640 35.310 1.00 0.00 +ATOM 1227 HA1 GLY 76 42.880 30.040 34.520 1.00 0.00 +ATOM 1228 HA2 GLY 76 41.430 30.250 35.510 1.00 0.00 +ATOM 1229 C GLY 76 43.250 30.490 36.580 1.00 0.00 +ATOM 1230 OC1 GLY 76 42.830 31.030 37.630 1.00 0.00 +ATOM 1231 OC2 GLY 76 44.320 29.840 36.510 1.00 0.00 +TER +ENDMDL +ATOM 1 N MET 1 23.870 24.100 -0.060 1.00 0.00 +ATOM 2 H1 MET 1 24.370 24.710 -0.680 1.00 0.00 +ATOM 3 H2 MET 1 24.550 23.510 0.410 1.00 0.00 +ATOM 4 H3 MET 1 23.260 23.510 -0.600 1.00 0.00 +ATOM 5 CA MET 1 23.120 24.880 0.930 1.00 0.00 +ATOM 6 HA MET 1 22.370 25.470 0.390 1.00 0.00 +ATOM 7 CB MET 1 22.390 23.990 1.930 1.00 0.00 +ATOM 8 HB1 MET 1 22.300 24.480 2.900 1.00 0.00 +ATOM 9 HB2 MET 1 22.940 23.060 2.090 1.00 0.00 +ATOM 10 CG MET 1 20.970 23.660 1.450 1.00 0.00 +ATOM 11 HG1 MET 1 20.520 22.980 2.170 1.00 0.00 +ATOM 12 HG2 MET 1 21.030 23.160 0.490 1.00 0.00 +ATOM 13 SD MET 1 19.890 25.110 1.290 1.00 0.00 +ATOM 14 CE MET 1 18.370 24.260 0.780 1.00 0.00 +ATOM 15 HE1 MET 1 17.580 24.990 0.630 1.00 0.00 +ATOM 16 HE2 MET 1 18.540 23.730 -0.160 1.00 0.00 +ATOM 17 HE3 MET 1 18.070 23.550 1.550 1.00 0.00 +ATOM 18 C MET 1 24.010 25.900 1.630 1.00 0.00 +ATOM 19 O MET 1 25.210 25.940 1.390 1.00 0.00 +ATOM 20 N GLN 2 23.410 26.750 2.470 1.00 0.00 +ATOM 21 H GLN 2 22.420 26.640 2.640 1.00 0.00 +ATOM 22 CA GLN 2 24.090 27.770 3.240 1.00 0.00 +ATOM 23 HA GLN 2 25.170 27.630 3.140 1.00 0.00 +ATOM 24 CB GLN 2 23.750 29.160 2.720 1.00 0.00 +ATOM 25 HB1 GLN 2 24.020 29.210 1.660 1.00 0.00 +ATOM 26 HB2 GLN 2 24.360 29.890 3.250 1.00 0.00 +ATOM 27 CG GLN 2 22.280 29.550 2.880 1.00 0.00 +ATOM 28 HG1 GLN 2 22.010 29.530 3.940 1.00 0.00 +ATOM 29 HG2 GLN 2 21.650 28.830 2.360 1.00 0.00 +ATOM 30 CD GLN 2 21.950 30.940 2.350 1.00 0.00 +ATOM 31 OE1 GLN 2 22.800 31.710 1.910 1.00 0.00 +ATOM 32 NE2 GLN 2 20.680 31.340 2.360 1.00 0.00 +ATOM 33 1HE2 GLN 2 19.950 30.760 2.750 1.00 0.00 +ATOM 34 2HE2 GLN 2 20.470 32.260 2.010 1.00 0.00 +ATOM 35 C GLN 2 23.790 27.660 4.730 1.00 0.00 +ATOM 36 O GLN 2 22.760 27.130 5.140 1.00 0.00 +ATOM 37 N ILE 3 24.680 28.230 5.560 1.00 0.00 +ATOM 38 H ILE 3 25.480 28.680 5.140 1.00 0.00 +ATOM 39 CA ILE 3 24.510 28.420 6.980 1.00 0.00 +ATOM 40 HA ILE 3 23.450 28.320 7.240 1.00 0.00 +ATOM 41 CB ILE 3 25.290 27.390 7.800 1.00 0.00 +ATOM 42 HB ILE 3 26.360 27.590 7.660 1.00 0.00 +ATOM 43 CG2 ILE 3 24.970 27.560 9.280 1.00 0.00 +ATOM 44 1HG2 ILE 3 25.570 26.880 9.880 1.00 0.00 +ATOM 45 2HG2 ILE 3 25.200 28.560 9.620 1.00 0.00 +ATOM 46 3HG2 ILE 3 23.910 27.350 9.460 1.00 0.00 +ATOM 47 CG1 ILE 3 25.000 25.960 7.340 1.00 0.00 +ATOM 48 1HG1 ILE 3 25.320 25.850 6.310 1.00 0.00 +ATOM 49 2HG1 ILE 3 23.930 25.790 7.380 1.00 0.00 +ATOM 50 CD ILE 3 25.700 24.860 8.140 1.00 0.00 +ATOM 51 HD1 ILE 3 25.510 23.910 7.640 1.00 0.00 +ATOM 52 HD2 ILE 3 26.770 25.040 8.170 1.00 0.00 +ATOM 53 HD3 ILE 3 25.300 24.800 9.150 1.00 0.00 +ATOM 54 C ILE 3 24.930 29.850 7.280 1.00 0.00 +ATOM 55 O ILE 3 25.910 30.330 6.710 1.00 0.00 +ATOM 56 N PHE 4 24.200 30.560 8.140 1.00 0.00 +ATOM 57 H PHE 4 23.440 30.110 8.640 1.00 0.00 +ATOM 58 CA PHE 4 24.570 31.900 8.540 1.00 0.00 +ATOM 59 HA PHE 4 25.080 32.390 7.710 1.00 0.00 +ATOM 60 CB PHE 4 23.340 32.750 8.870 1.00 0.00 +ATOM 61 HB1 PHE 4 23.680 33.750 9.140 1.00 0.00 +ATOM 62 HB2 PHE 4 22.840 32.330 9.730 1.00 0.00 +ATOM 63 CG PHE 4 22.360 32.890 7.720 1.00 0.00 +ATOM 64 CD1 PHE 4 21.000 32.620 7.930 1.00 0.00 +ATOM 65 HD1 PHE 4 20.650 32.330 8.920 1.00 0.00 +ATOM 66 CE1 PHE 4 20.100 32.720 6.870 1.00 0.00 +ATOM 67 HE1 PHE 4 19.050 32.530 7.040 1.00 0.00 +ATOM 68 CZ PHE 4 20.550 33.070 5.590 1.00 0.00 +ATOM 69 HZ PHE 4 19.850 33.130 4.770 1.00 0.00 +ATOM 70 CE2 PHE 4 21.900 33.350 5.380 1.00 0.00 +ATOM 71 HE2 PHE 4 22.250 33.630 4.400 1.00 0.00 +ATOM 72 CD2 PHE 4 22.810 33.270 6.450 1.00 0.00 +ATOM 73 HD2 PHE 4 23.850 33.500 6.280 1.00 0.00 +ATOM 74 C PHE 4 25.550 31.870 9.700 1.00 0.00 +ATOM 75 O PHE 4 25.260 31.360 10.780 1.00 0.00 +ATOM 76 N VAL 5 26.720 32.480 9.480 1.00 0.00 +ATOM 77 H VAL 5 26.890 32.900 8.570 1.00 0.00 +ATOM 78 CA VAL 5 27.800 32.560 10.440 1.00 0.00 +ATOM 79 HA VAL 5 27.530 32.010 11.340 1.00 0.00 +ATOM 80 CB VAL 5 29.100 31.960 9.900 1.00 0.00 +ATOM 81 HB VAL 5 29.570 32.680 9.230 1.00 0.00 +ATOM 82 CG1 VAL 5 30.070 31.670 11.040 1.00 0.00 +ATOM 83 1HG1 VAL 5 31.000 31.270 10.640 1.00 0.00 +ATOM 84 2HG1 VAL 5 30.290 32.590 11.580 1.00 0.00 +ATOM 85 3HG1 VAL 5 29.630 30.950 11.730 1.00 0.00 +ATOM 86 CG2 VAL 5 28.880 30.670 9.110 1.00 0.00 +ATOM 87 1HG2 VAL 5 29.840 30.290 8.760 1.00 0.00 +ATOM 88 2HG2 VAL 5 28.370 29.930 9.730 1.00 0.00 +ATOM 89 3HG2 VAL 5 28.270 30.860 8.220 1.00 0.00 +ATOM 90 C VAL 5 27.990 34.030 10.800 1.00 0.00 +ATOM 91 O VAL 5 28.090 34.880 9.920 1.00 0.00 +ATOM 92 N LYS 6 28.000 34.340 12.100 1.00 0.00 +ATOM 93 H LYS 6 27.870 33.600 12.770 1.00 0.00 +ATOM 94 CA LYS 6 28.170 35.680 12.620 1.00 0.00 +ATOM 95 HA LYS 6 28.520 36.340 11.820 1.00 0.00 +ATOM 96 CB LYS 6 26.850 36.230 13.150 1.00 0.00 +ATOM 97 HB1 LYS 6 27.010 37.260 13.460 1.00 0.00 +ATOM 98 HB2 LYS 6 26.560 35.660 14.030 1.00 0.00 +ATOM 99 CG LYS 6 25.720 36.190 12.130 1.00 0.00 +ATOM 100 HG1 LYS 6 25.470 35.160 11.890 1.00 0.00 +ATOM 101 HG2 LYS 6 26.040 36.700 11.220 1.00 0.00 +ATOM 102 CD LYS 6 24.460 36.880 12.670 1.00 0.00 +ATOM 103 HD1 LYS 6 24.690 37.920 12.900 1.00 0.00 +ATOM 104 HD2 LYS 6 24.150 36.370 13.590 1.00 0.00 +ATOM 105 CE LYS 6 23.340 36.810 11.640 1.00 0.00 +ATOM 106 HE1 LYS 6 23.130 35.770 11.420 1.00 0.00 +ATOM 107 HE2 LYS 6 23.680 37.290 10.730 1.00 0.00 +ATOM 108 NZ LYS 6 22.120 37.480 12.130 1.00 0.00 +ATOM 109 HZ1 LYS 6 21.380 37.430 11.440 1.00 0.00 +ATOM 110 HZ2 LYS 6 21.780 37.040 12.980 1.00 0.00 +ATOM 111 HZ3 LYS 6 22.290 38.450 12.330 1.00 0.00 +ATOM 112 C LYS 6 29.260 35.680 13.690 1.00 0.00 +ATOM 113 O LYS 6 29.530 34.660 14.310 1.00 0.00 +ATOM 114 N THR 7 29.870 36.850 13.910 1.00 0.00 +ATOM 115 H THR 7 29.590 37.650 13.350 1.00 0.00 +ATOM 116 CA THR 7 30.980 37.050 14.820 1.00 0.00 +ATOM 117 HA THR 7 31.120 36.160 15.440 1.00 0.00 +ATOM 118 CB THR 7 32.270 37.290 14.050 1.00 0.00 +ATOM 119 HB THR 7 33.060 37.560 14.750 1.00 0.00 +ATOM 120 CG2 THR 7 32.720 36.060 13.270 1.00 0.00 +ATOM 121 1HG2 THR 7 33.660 36.260 12.760 1.00 0.00 +ATOM 122 2HG2 THR 7 32.870 35.230 13.970 1.00 0.00 +ATOM 123 3HG2 THR 7 31.970 35.770 12.540 1.00 0.00 +ATOM 124 OG1 THR 7 32.090 38.360 13.140 1.00 0.00 +ATOM 125 HG1 THR 7 32.930 38.480 12.680 1.00 0.00 +ATOM 126 C THR 7 30.690 38.210 15.770 1.00 0.00 +ATOM 127 O THR 7 29.750 38.970 15.550 1.00 0.00 +ATOM 128 N LEU 8 31.490 38.370 16.820 1.00 0.00 +ATOM 129 H LEU 8 32.220 37.690 16.990 1.00 0.00 +ATOM 130 CA LEU 8 31.310 39.430 17.800 1.00 0.00 +ATOM 131 HA LEU 8 30.320 39.290 18.230 1.00 0.00 +ATOM 132 CB LEU 8 32.360 39.300 18.900 1.00 0.00 +ATOM 133 HB1 LEU 8 33.340 39.480 18.460 1.00 0.00 +ATOM 134 HB2 LEU 8 32.350 38.280 19.280 1.00 0.00 +ATOM 135 CG LEU 8 32.140 40.270 20.050 1.00 0.00 +ATOM 136 HG LEU 8 32.090 41.290 19.670 1.00 0.00 +ATOM 137 CD1 LEU 8 30.860 39.980 20.830 1.00 0.00 +ATOM 138 1HD1 LEU 8 30.780 40.670 21.670 1.00 0.00 +ATOM 139 2HD1 LEU 8 29.990 40.120 20.190 1.00 0.00 +ATOM 140 3HD1 LEU 8 30.880 38.950 21.200 1.00 0.00 +ATOM 141 CD2 LEU 8 33.310 40.220 21.030 1.00 0.00 +ATOM 142 1HD2 LEU 8 33.150 40.960 21.820 1.00 0.00 +ATOM 143 2HD2 LEU 8 33.390 39.230 21.480 1.00 0.00 +ATOM 144 3HD2 LEU 8 34.230 40.480 20.500 1.00 0.00 +ATOM 145 C LEU 8 31.350 40.820 17.180 1.00 0.00 +ATOM 146 O LEU 8 30.580 41.700 17.580 1.00 0.00 +ATOM 147 N THR 9 32.230 41.030 16.200 1.00 0.00 +ATOM 148 H THR 9 32.800 40.260 15.890 1.00 0.00 +ATOM 149 CA THR 9 32.370 42.280 15.490 1.00 0.00 +ATOM 150 HA THR 9 32.570 43.080 16.210 1.00 0.00 +ATOM 151 CB THR 9 33.550 42.220 14.520 1.00 0.00 +ATOM 152 HB THR 9 33.580 43.130 13.920 1.00 0.00 +ATOM 153 CG2 THR 9 34.880 42.090 15.260 1.00 0.00 +ATOM 154 1HG2 THR 9 35.700 42.080 14.540 1.00 0.00 +ATOM 155 2HG2 THR 9 35.010 42.930 15.930 1.00 0.00 +ATOM 156 3HG2 THR 9 34.910 41.160 15.830 1.00 0.00 +ATOM 157 OG1 THR 9 33.440 41.110 13.660 1.00 0.00 +ATOM 158 HG1 THR 9 34.190 41.140 13.070 1.00 0.00 +ATOM 159 C THR 9 31.120 42.670 14.710 1.00 0.00 +ATOM 160 O THR 9 30.860 43.860 14.520 1.00 0.00 +ATOM 161 N GLY 10 30.320 41.690 14.300 1.00 0.00 +ATOM 162 H GLY 10 30.610 40.740 14.510 1.00 0.00 +ATOM 163 CA GLY 10 29.070 41.850 13.590 1.00 0.00 +ATOM 164 HA1 GLY 10 28.670 42.850 13.750 1.00 0.00 +ATOM 165 HA2 GLY 10 28.350 41.130 13.990 1.00 0.00 +ATOM 166 C GLY 10 29.180 41.610 12.090 1.00 0.00 +ATOM 167 O GLY 10 28.290 42.010 11.340 1.00 0.00 +ATOM 168 N LYS 11 30.260 40.970 11.640 1.00 0.00 +ATOM 169 H LYS 11 30.930 40.640 12.320 1.00 0.00 +ATOM 170 CA LYS 11 30.450 40.570 10.260 1.00 0.00 +ATOM 171 HA LYS 11 30.000 41.330 9.610 1.00 0.00 +ATOM 172 CB LYS 11 31.950 40.520 9.950 1.00 0.00 +ATOM 173 HB1 LYS 11 32.410 39.710 10.500 1.00 0.00 +ATOM 174 HB2 LYS 11 32.390 41.470 10.270 1.00 0.00 +ATOM 175 CG LYS 11 32.210 40.340 8.460 1.00 0.00 +ATOM 176 HG1 LYS 11 31.720 41.140 7.900 1.00 0.00 +ATOM 177 HG2 LYS 11 31.780 39.390 8.130 1.00 0.00 +ATOM 178 CD LYS 11 33.690 40.330 8.100 1.00 0.00 +ATOM 179 HD1 LYS 11 33.790 40.110 7.040 1.00 0.00 +ATOM 180 HD2 LYS 11 34.190 39.530 8.660 1.00 0.00 +ATOM 181 CE LYS 11 34.370 41.670 8.400 1.00 0.00 +ATOM 182 HE1 LYS 11 34.320 41.860 9.470 1.00 0.00 +ATOM 183 HE2 LYS 11 33.820 42.460 7.880 1.00 0.00 +ATOM 184 NZ LYS 11 35.770 41.680 7.970 1.00 0.00 +ATOM 185 HZ1 LYS 11 36.200 42.580 8.150 1.00 0.00 +ATOM 186 HZ2 LYS 11 36.300 40.990 8.470 1.00 0.00 +ATOM 187 HZ3 LYS 11 35.850 41.510 6.970 1.00 0.00 +ATOM 188 C LYS 11 29.740 39.250 10.000 1.00 0.00 +ATOM 189 O LYS 11 30.070 38.240 10.620 1.00 0.00 +ATOM 190 N THR 12 28.770 39.260 9.090 1.00 0.00 +ATOM 191 H THR 12 28.540 40.130 8.630 1.00 0.00 +ATOM 192 CA THR 12 28.110 38.050 8.640 1.00 0.00 +ATOM 193 HA THR 12 28.070 37.340 9.470 1.00 0.00 +ATOM 194 CB THR 12 26.660 38.290 8.210 1.00 0.00 +ATOM 195 HB THR 12 26.650 38.930 7.330 1.00 0.00 +ATOM 196 CG2 THR 12 25.920 36.990 7.920 1.00 0.00 +ATOM 197 1HG2 THR 12 24.890 37.210 7.630 1.00 0.00 +ATOM 198 2HG2 THR 12 26.400 36.460 7.090 1.00 0.00 +ATOM 199 3HG2 THR 12 25.920 36.350 8.800 1.00 0.00 +ATOM 200 OG1 THR 12 25.950 38.930 9.250 1.00 0.00 +ATOM 201 HG1 THR 12 25.090 39.150 8.900 1.00 0.00 +ATOM 202 C THR 12 28.920 37.430 7.520 1.00 0.00 +ATOM 203 O THR 12 29.200 38.080 6.510 1.00 0.00 +ATOM 204 N ILE 13 29.300 36.160 7.690 1.00 0.00 +ATOM 205 H ILE 13 28.980 35.680 8.520 1.00 0.00 +ATOM 206 CA ILE 13 29.990 35.350 6.710 1.00 0.00 +ATOM 207 HA ILE 13 30.280 35.960 5.850 1.00 0.00 +ATOM 208 CB ILE 13 31.270 34.750 7.300 1.00 0.00 +ATOM 209 HB ILE 13 30.990 34.110 8.130 1.00 0.00 +ATOM 210 CG2 ILE 13 31.990 33.870 6.280 1.00 0.00 +ATOM 211 1HG2 ILE 13 32.910 33.470 6.710 1.00 0.00 +ATOM 212 2HG2 ILE 13 31.360 33.020 6.000 1.00 0.00 +ATOM 213 3HG2 ILE 13 32.230 34.430 5.380 1.00 0.00 +ATOM 214 CG1 ILE 13 32.230 35.800 7.860 1.00 0.00 +ATOM 215 1HG1 ILE 13 33.080 35.280 8.310 1.00 0.00 +ATOM 216 2HG1 ILE 13 31.730 36.340 8.660 1.00 0.00 +ATOM 217 CD ILE 13 32.780 36.810 6.860 1.00 0.00 +ATOM 218 HD1 ILE 13 33.440 37.500 7.380 1.00 0.00 +ATOM 219 HD2 ILE 13 33.360 36.310 6.080 1.00 0.00 +ATOM 220 HD3 ILE 13 31.970 37.380 6.400 1.00 0.00 +ATOM 221 C ILE 13 29.010 34.290 6.220 1.00 0.00 +ATOM 222 O ILE 13 28.430 33.550 7.010 1.00 0.00 +ATOM 223 N THR 14 28.800 34.230 4.900 1.00 0.00 +ATOM 224 H THR 14 29.290 34.850 4.280 1.00 0.00 +ATOM 225 CA THR 14 28.000 33.180 4.300 1.00 0.00 +ATOM 226 HA THR 14 27.180 32.930 4.980 1.00 0.00 +ATOM 227 CB THR 14 27.340 33.620 2.990 1.00 0.00 +ATOM 228 HB THR 14 26.900 32.760 2.500 1.00 0.00 +ATOM 229 CG2 THR 14 26.240 34.650 3.260 1.00 0.00 +ATOM 230 1HG2 THR 14 25.760 34.930 2.320 1.00 0.00 +ATOM 231 2HG2 THR 14 25.490 34.210 3.920 1.00 0.00 +ATOM 232 3HG2 THR 14 26.660 35.540 3.730 1.00 0.00 +ATOM 233 OG1 THR 14 28.270 34.230 2.120 1.00 0.00 +ATOM 234 HG1 THR 14 27.810 34.420 1.300 1.00 0.00 +ATOM 235 C THR 14 28.830 31.920 4.110 1.00 0.00 +ATOM 236 O THR 14 29.990 31.970 3.720 1.00 0.00 +ATOM 237 N LEU 15 28.210 30.770 4.400 1.00 0.00 +ATOM 238 H LEU 15 27.250 30.810 4.730 1.00 0.00 +ATOM 239 CA LEU 15 28.770 29.460 4.160 1.00 0.00 +ATOM 240 HA LEU 15 29.840 29.560 3.990 1.00 0.00 +ATOM 241 CB LEU 15 28.550 28.610 5.410 1.00 0.00 +ATOM 242 HB1 LEU 15 27.500 28.320 5.440 1.00 0.00 +ATOM 243 HB2 LEU 15 28.750 29.220 6.290 1.00 0.00 +ATOM 244 CG LEU 15 29.410 27.360 5.480 1.00 0.00 +ATOM 245 HG LEU 15 29.310 26.800 4.550 1.00 0.00 +ATOM 246 CD1 LEU 15 30.890 27.680 5.720 1.00 0.00 +ATOM 247 1HD1 LEU 15 31.450 26.760 5.840 1.00 0.00 +ATOM 248 2HD1 LEU 15 31.300 28.240 4.880 1.00 0.00 +ATOM 249 3HD1 LEU 15 30.990 28.280 6.630 1.00 0.00 +ATOM 250 CD2 LEU 15 28.930 26.460 6.620 1.00 0.00 +ATOM 251 1HD2 LEU 15 29.570 25.580 6.700 1.00 0.00 +ATOM 252 2HD2 LEU 15 28.950 27.010 7.570 1.00 0.00 +ATOM 253 3HD2 LEU 15 27.920 26.130 6.410 1.00 0.00 +ATOM 254 C LEU 15 28.140 28.860 2.900 1.00 0.00 +ATOM 255 O LEU 15 26.970 29.120 2.620 1.00 0.00 +ATOM 256 N GLU 16 28.910 28.080 2.140 1.00 0.00 +ATOM 257 H GLU 16 29.880 27.960 2.390 1.00 0.00 +ATOM 258 CA GLU 16 28.450 27.460 0.910 1.00 0.00 +ATOM 259 HA GLU 16 27.390 27.660 0.770 1.00 0.00 +ATOM 260 CB GLU 16 29.180 28.070 -0.290 1.00 0.00 +ATOM 261 HB1 GLU 16 28.840 27.560 -1.200 1.00 0.00 +ATOM 262 HB2 GLU 16 30.250 27.890 -0.180 1.00 0.00 +ATOM 263 CG GLU 16 28.930 29.560 -0.470 1.00 0.00 +ATOM 264 HG1 GLU 16 29.350 30.110 0.370 1.00 0.00 +ATOM 265 HG2 GLU 16 27.860 29.740 -0.490 1.00 0.00 +ATOM 266 CD GLU 16 29.560 30.070 -1.760 1.00 0.00 +ATOM 267 OE1 GLU 16 30.800 30.060 -1.890 1.00 0.00 +ATOM 268 OE2 GLU 16 28.820 30.510 -2.670 1.00 0.00 +ATOM 269 C GLU 16 28.580 25.940 0.900 1.00 0.00 +ATOM 270 O GLU 16 28.190 25.290 -0.070 1.00 0.00 +ATOM 271 N VAL 17 29.100 25.350 1.980 1.00 0.00 +ATOM 272 H VAL 17 29.340 25.930 2.760 1.00 0.00 +ATOM 273 CA VAL 17 29.180 23.910 2.170 1.00 0.00 +ATOM 274 HA VAL 17 29.190 23.440 1.190 1.00 0.00 +ATOM 275 CB VAL 17 30.480 23.480 2.860 1.00 0.00 +ATOM 276 HB VAL 17 30.470 22.390 2.920 1.00 0.00 +ATOM 277 CG1 VAL 17 31.690 23.880 2.030 1.00 0.00 +ATOM 278 1HG1 VAL 17 32.600 23.500 2.510 1.00 0.00 +ATOM 279 2HG1 VAL 17 31.620 23.450 1.030 1.00 0.00 +ATOM 280 3HG1 VAL 17 31.760 24.970 1.950 1.00 0.00 +ATOM 281 CG2 VAL 17 30.640 24.030 4.270 1.00 0.00 +ATOM 282 1HG2 VAL 17 31.550 23.620 4.720 1.00 0.00 +ATOM 283 2HG2 VAL 17 30.730 25.120 4.250 1.00 0.00 +ATOM 284 3HG2 VAL 17 29.800 23.730 4.890 1.00 0.00 +ATOM 285 C VAL 17 27.950 23.380 2.880 1.00 0.00 +ATOM 286 O VAL 17 27.210 24.110 3.540 1.00 0.00 +ATOM 287 N GLU 18 27.690 22.080 2.740 1.00 0.00 +ATOM 288 H GLU 18 28.340 21.510 2.200 1.00 0.00 +ATOM 289 CA GLU 18 26.530 21.410 3.290 1.00 0.00 +ATOM 290 HA GLU 18 25.660 21.960 2.930 1.00 0.00 +ATOM 291 CB GLU 18 26.410 19.990 2.760 1.00 0.00 +ATOM 292 HB1 GLU 18 26.440 20.030 1.670 1.00 0.00 +ATOM 293 HB2 GLU 18 25.440 19.600 3.070 1.00 0.00 +ATOM 294 CG GLU 18 27.500 19.030 3.250 1.00 0.00 +ATOM 295 HG1 GLU 18 27.430 18.920 4.330 1.00 0.00 +ATOM 296 HG2 GLU 18 28.480 19.460 3.020 1.00 0.00 +ATOM 297 CD GLU 18 27.370 17.660 2.610 1.00 0.00 +ATOM 298 OE1 GLU 18 28.280 17.260 1.850 1.00 0.00 +ATOM 299 OE2 GLU 18 26.380 16.950 2.870 1.00 0.00 +ATOM 300 C GLU 18 26.500 21.430 4.820 1.00 0.00 +ATOM 301 O GLU 18 27.540 21.260 5.460 1.00 0.00 +ATOM 302 N PRO 19 25.320 21.490 5.450 1.00 0.00 +ATOM 303 CD PRO 19 24.090 22.010 4.880 1.00 0.00 +ATOM 304 HD1 PRO 19 23.600 21.240 4.290 1.00 0.00 +ATOM 305 HD2 PRO 19 24.260 22.900 4.280 1.00 0.00 +ATOM 306 CG PRO 19 23.210 22.380 6.070 1.00 0.00 +ATOM 307 HG1 PRO 19 22.150 22.260 5.840 1.00 0.00 +ATOM 308 HG2 PRO 19 23.420 23.390 6.400 1.00 0.00 +ATOM 309 CB PRO 19 23.650 21.380 7.140 1.00 0.00 +ATOM 310 HB1 PRO 19 23.080 20.460 7.030 1.00 0.00 +ATOM 311 HB2 PRO 19 23.520 21.780 8.150 1.00 0.00 +ATOM 312 CA PRO 19 25.130 21.140 6.850 1.00 0.00 +ATOM 313 HA PRO 19 25.740 21.810 7.450 1.00 0.00 +ATOM 314 C PRO 19 25.550 19.700 7.110 1.00 0.00 +ATOM 315 O PRO 19 24.940 18.770 6.590 1.00 0.00 +ATOM 316 N SER 20 26.590 19.550 7.940 1.00 0.00 +ATOM 317 H SER 20 27.010 20.430 8.210 1.00 0.00 +ATOM 318 CA SER 20 27.140 18.380 8.580 1.00 0.00 +ATOM 319 HA SER 20 26.460 18.060 9.370 1.00 0.00 +ATOM 320 CB SER 20 27.350 17.210 7.620 1.00 0.00 +ATOM 321 HB1 SER 20 28.170 16.570 7.950 1.00 0.00 +ATOM 322 HB2 SER 20 27.600 17.590 6.630 1.00 0.00 +ATOM 323 OG SER 20 26.210 16.390 7.580 1.00 0.00 +ATOM 324 HG SER 20 26.320 15.780 6.840 1.00 0.00 +ATOM 325 C SER 20 28.460 18.710 9.270 1.00 0.00 +ATOM 326 O SER 20 29.220 17.810 9.630 1.00 0.00 +ATOM 327 N ASP 21 28.800 19.990 9.440 1.00 0.00 +ATOM 328 H ASP 21 28.130 20.720 9.240 1.00 0.00 +ATOM 329 CA ASP 21 30.060 20.460 9.970 1.00 0.00 +ATOM 330 HA ASP 21 30.460 19.730 10.670 1.00 0.00 +ATOM 331 CB ASP 21 31.090 20.630 8.850 1.00 0.00 +ATOM 332 HB1 ASP 21 31.270 19.650 8.420 1.00 0.00 +ATOM 333 HB2 ASP 21 32.040 20.950 9.300 1.00 0.00 +ATOM 334 CG ASP 21 30.770 21.580 7.710 1.00 0.00 +ATOM 335 OD1 ASP 21 29.750 22.310 7.740 1.00 0.00 +ATOM 336 OD2 ASP 21 31.590 21.630 6.770 1.00 0.00 +ATOM 337 C ASP 21 29.870 21.760 10.750 1.00 0.00 +ATOM 338 O ASP 21 28.810 22.380 10.730 1.00 0.00 +ATOM 339 N THR 22 30.920 22.160 11.480 1.00 0.00 +ATOM 340 H THR 22 31.750 21.580 11.490 1.00 0.00 +ATOM 341 CA THR 22 31.010 23.410 12.200 1.00 0.00 +ATOM 342 HA THR 22 30.100 23.990 12.020 1.00 0.00 +ATOM 343 CB THR 22 31.110 23.200 13.710 1.00 0.00 +ATOM 344 HB THR 22 31.380 24.140 14.180 1.00 0.00 +ATOM 345 CG2 THR 22 29.770 22.740 14.290 1.00 0.00 +ATOM 346 1HG2 THR 22 29.850 22.620 15.370 1.00 0.00 +ATOM 347 2HG2 THR 22 29.010 23.490 14.070 1.00 0.00 +ATOM 348 3HG2 THR 22 29.470 21.800 13.840 1.00 0.00 +ATOM 349 OG1 THR 22 32.070 22.220 14.040 1.00 0.00 +ATOM 350 HG1 THR 22 32.100 22.170 15.000 1.00 0.00 +ATOM 351 C THR 22 32.170 24.250 11.680 1.00 0.00 +ATOM 352 O THR 22 33.240 23.730 11.340 1.00 0.00 +ATOM 353 N ILE 23 31.940 25.560 11.590 1.00 0.00 +ATOM 354 H ILE 23 31.040 25.910 11.880 1.00 0.00 +ATOM 355 CA ILE 23 32.870 26.510 11.000 1.00 0.00 +ATOM 356 HA ILE 23 33.240 26.070 10.080 1.00 0.00 +ATOM 357 CB ILE 23 32.160 27.810 10.620 1.00 0.00 +ATOM 358 HB ILE 23 31.890 28.350 11.530 1.00 0.00 +ATOM 359 CG2 ILE 23 33.090 28.700 9.800 1.00 0.00 +ATOM 360 1HG2 ILE 23 32.580 29.630 9.560 1.00 0.00 +ATOM 361 2HG2 ILE 23 33.970 28.970 10.380 1.00 0.00 +ATOM 362 3HG2 ILE 23 33.390 28.210 8.880 1.00 0.00 +ATOM 363 CG1 ILE 23 30.900 27.560 9.800 1.00 0.00 +ATOM 364 1HG1 ILE 23 30.990 26.630 9.230 1.00 0.00 +ATOM 365 2HG1 ILE 23 30.770 28.350 9.060 1.00 0.00 +ATOM 366 CD ILE 23 29.620 27.520 10.630 1.00 0.00 +ATOM 367 HD1 ILE 23 28.760 27.380 9.970 1.00 0.00 +ATOM 368 HD2 ILE 23 29.630 26.700 11.350 1.00 0.00 +ATOM 369 HD3 ILE 23 29.500 28.460 11.170 1.00 0.00 +ATOM 370 C ILE 23 34.050 26.730 11.930 1.00 0.00 +ATOM 371 O ILE 23 33.920 26.850 13.150 1.00 0.00 +ATOM 372 N GLU 24 35.240 26.790 11.330 1.00 0.00 +ATOM 373 H GLU 24 35.260 26.620 10.330 1.00 0.00 +ATOM 374 CA GLU 24 36.520 26.990 11.980 1.00 0.00 +ATOM 375 HA GLU 24 36.350 27.390 12.980 1.00 0.00 +ATOM 376 CB GLU 24 37.170 25.620 12.120 1.00 0.00 +ATOM 377 HB1 GLU 24 37.550 25.300 11.150 1.00 0.00 +ATOM 378 HB2 GLU 24 36.410 24.910 12.430 1.00 0.00 +ATOM 379 CG GLU 24 38.290 25.520 13.160 1.00 0.00 +ATOM 380 HG1 GLU 24 37.900 25.830 14.130 1.00 0.00 +ATOM 381 HG2 GLU 24 39.110 26.190 12.890 1.00 0.00 +ATOM 382 CD GLU 24 38.830 24.100 13.260 1.00 0.00 +ATOM 383 OE1 GLU 24 39.430 23.600 12.280 1.00 0.00 +ATOM 384 OE2 GLU 24 38.670 23.460 14.320 1.00 0.00 +ATOM 385 C GLU 24 37.370 28.010 11.240 1.00 0.00 +ATOM 386 O GLU 24 38.460 28.380 11.680 1.00 0.00 +ATOM 387 N ASN 25 36.850 28.560 10.140 1.00 0.00 +ATOM 388 H ASN 25 35.920 28.260 9.880 1.00 0.00 +ATOM 389 CA ASN 25 37.510 29.510 9.260 1.00 0.00 +ATOM 390 HA ASN 25 38.580 29.310 9.270 1.00 0.00 +ATOM 391 CB ASN 25 36.980 29.290 7.850 1.00 0.00 +ATOM 392 HB1 ASN 25 37.480 29.990 7.170 1.00 0.00 +ATOM 393 HB2 ASN 25 35.910 29.510 7.820 1.00 0.00 +ATOM 394 CG ASN 25 37.210 27.890 7.290 1.00 0.00 +ATOM 395 OD1 ASN 25 38.010 27.100 7.770 1.00 0.00 +ATOM 396 ND2 ASN 25 36.480 27.530 6.230 1.00 0.00 +ATOM 397 1HD2 ASN 25 35.820 28.170 5.820 1.00 0.00 +ATOM 398 2HD2 ASN 25 36.620 26.600 5.860 1.00 0.00 +ATOM 399 C ASN 25 37.330 30.950 9.720 1.00 0.00 +ATOM 400 O ASN 25 38.090 31.830 9.340 1.00 0.00 +ATOM 401 N VAL 26 36.360 31.190 10.620 1.00 0.00 +ATOM 402 H VAL 26 35.760 30.410 10.860 1.00 0.00 +ATOM 403 CA VAL 26 36.150 32.440 11.330 1.00 0.00 +ATOM 404 HA VAL 26 36.510 33.260 10.710 1.00 0.00 +ATOM 405 CB VAL 26 34.650 32.680 11.550 1.00 0.00 +ATOM 406 HB VAL 26 34.530 33.640 12.060 1.00 0.00 +ATOM 407 CG1 VAL 26 33.920 32.760 10.220 1.00 0.00 +ATOM 408 1HG1 VAL 26 32.870 33.000 10.390 1.00 0.00 +ATOM 409 2HG1 VAL 26 34.360 33.540 9.600 1.00 0.00 +ATOM 410 3HG1 VAL 26 33.980 31.810 9.680 1.00 0.00 +ATOM 411 CG2 VAL 26 34.000 31.610 12.420 1.00 0.00 +ATOM 412 1HG2 VAL 26 32.940 31.830 12.530 1.00 0.00 +ATOM 413 2HG2 VAL 26 34.090 30.620 11.970 1.00 0.00 +ATOM 414 3HG2 VAL 26 34.450 31.600 13.410 1.00 0.00 +ATOM 415 C VAL 26 36.940 32.510 12.630 1.00 0.00 +ATOM 416 O VAL 26 37.140 33.590 13.180 1.00 0.00 +ATOM 417 N LYS 27 37.480 31.370 13.070 1.00 0.00 +ATOM 418 H LYS 27 37.270 30.530 12.530 1.00 0.00 +ATOM 419 CA LYS 27 38.430 31.210 14.160 1.00 0.00 +ATOM 420 HA LYS 27 38.260 32.010 14.880 1.00 0.00 +ATOM 421 CB LYS 27 38.180 29.880 14.870 1.00 0.00 +ATOM 422 HB1 LYS 27 38.800 29.860 15.770 1.00 0.00 +ATOM 423 HB2 LYS 27 38.510 29.070 14.220 1.00 0.00 +ATOM 424 CG LYS 27 36.740 29.620 15.290 1.00 0.00 +ATOM 425 HG1 LYS 27 36.080 29.640 14.420 1.00 0.00 +ATOM 426 HG2 LYS 27 36.410 30.390 16.000 1.00 0.00 +ATOM 427 CD LYS 27 36.630 28.240 15.930 1.00 0.00 +ATOM 428 HD1 LYS 27 37.260 28.190 16.820 1.00 0.00 +ATOM 429 HD2 LYS 27 36.990 27.500 15.220 1.00 0.00 +ATOM 430 CE LYS 27 35.200 27.850 16.320 1.00 0.00 +ATOM 431 HE1 LYS 27 35.170 26.770 16.470 1.00 0.00 +ATOM 432 HE2 LYS 27 34.530 28.080 15.490 1.00 0.00 +ATOM 433 NZ LYS 27 34.770 28.530 17.550 1.00 0.00 +ATOM 434 HZ1 LYS 27 33.830 28.250 17.790 1.00 0.00 +ATOM 435 HZ2 LYS 27 35.350 28.280 18.330 1.00 0.00 +ATOM 436 HZ3 LYS 27 34.800 29.530 17.440 1.00 0.00 +ATOM 437 C LYS 27 39.870 31.310 13.690 1.00 0.00 +ATOM 438 O LYS 27 40.780 31.420 14.520 1.00 0.00 +ATOM 439 N ALA 28 40.100 31.330 12.380 1.00 0.00 +ATOM 440 H ALA 28 39.290 31.200 11.780 1.00 0.00 +ATOM 441 CA ALA 28 41.390 31.380 11.720 1.00 0.00 +ATOM 442 HA ALA 28 42.160 31.090 12.440 1.00 0.00 +ATOM 443 CB ALA 28 41.380 30.340 10.600 1.00 0.00 +ATOM 444 HB1 ALA 28 42.370 30.280 10.150 1.00 0.00 +ATOM 445 HB2 ALA 28 41.120 29.360 11.000 1.00 0.00 +ATOM 446 HB3 ALA 28 40.660 30.630 9.840 1.00 0.00 +ATOM 447 C ALA 28 41.770 32.760 11.200 1.00 0.00 +ATOM 448 O ALA 28 42.880 32.950 10.710 1.00 0.00 +ATOM 449 N LYS 29 40.860 33.740 11.300 1.00 0.00 +ATOM 450 H LYS 29 39.960 33.490 11.680 1.00 0.00 +ATOM 451 CA LYS 29 41.070 35.120 10.920 1.00 0.00 +ATOM 452 HA LYS 29 42.020 35.210 10.390 1.00 0.00 +ATOM 453 CB LYS 29 39.980 35.570 9.950 1.00 0.00 +ATOM 454 HB1 LYS 29 39.020 35.590 10.450 1.00 0.00 +ATOM 455 HB2 LYS 29 39.910 34.850 9.130 1.00 0.00 +ATOM 456 CG LYS 29 40.280 36.950 9.360 1.00 0.00 +ATOM 457 HG1 LYS 29 41.210 36.890 8.790 1.00 0.00 +ATOM 458 HG2 LYS 29 40.410 37.670 10.160 1.00 0.00 +ATOM 459 CD LYS 29 39.160 37.420 8.440 1.00 0.00 +ATOM 460 HD1 LYS 29 38.230 37.460 9.000 1.00 0.00 +ATOM 461 HD2 LYS 29 39.060 36.730 7.610 1.00 0.00 +ATOM 462 CE LYS 29 39.500 38.810 7.910 1.00 0.00 +ATOM 463 HE1 LYS 29 40.470 38.780 7.420 1.00 0.00 +ATOM 464 HE2 LYS 29 39.570 39.500 8.750 1.00 0.00 +ATOM 465 NZ LYS 29 38.480 39.280 6.950 1.00 0.00 +ATOM 466 HZ1 LYS 29 38.690 40.220 6.640 1.00 0.00 +ATOM 467 HZ2 LYS 29 38.450 38.680 6.140 1.00 0.00 +ATOM 468 HZ3 LYS 29 37.560 39.260 7.370 1.00 0.00 +ATOM 469 C LYS 29 41.210 36.010 12.150 1.00 0.00 +ATOM 470 O LYS 29 42.320 36.360 12.550 1.00 0.00 +ATOM 471 N ILE 30 40.080 36.340 12.780 1.00 0.00 +ATOM 472 H ILE 30 39.220 35.970 12.410 1.00 0.00 +ATOM 473 CA ILE 30 39.990 37.340 13.830 1.00 0.00 +ATOM 474 HA ILE 30 40.770 38.080 13.640 1.00 0.00 +ATOM 475 CB ILE 30 38.670 38.090 13.730 1.00 0.00 +ATOM 476 HB ILE 30 38.650 38.840 14.530 1.00 0.00 +ATOM 477 CG2 ILE 30 38.600 38.830 12.400 1.00 0.00 +ATOM 478 1HG2 ILE 30 37.720 39.480 12.370 1.00 0.00 +ATOM 479 2HG2 ILE 30 39.480 39.460 12.280 1.00 0.00 +ATOM 480 3HG2 ILE 30 38.540 38.130 11.570 1.00 0.00 +ATOM 481 CG1 ILE 30 37.470 37.170 13.930 1.00 0.00 +ATOM 482 1HG1 ILE 30 37.610 36.590 14.840 1.00 0.00 +ATOM 483 2HG1 ILE 30 37.400 36.470 13.100 1.00 0.00 +ATOM 484 CD ILE 30 36.130 37.900 14.050 1.00 0.00 +ATOM 485 HD1 ILE 30 35.350 37.170 14.270 1.00 0.00 +ATOM 486 HD2 ILE 30 36.180 38.620 14.870 1.00 0.00 +ATOM 487 HD3 ILE 30 35.880 38.410 13.120 1.00 0.00 +ATOM 488 C ILE 30 40.280 36.810 15.220 1.00 0.00 +ATOM 489 O ILE 30 40.630 37.580 16.120 1.00 0.00 +ATOM 490 N GLN 31 40.230 35.490 15.400 1.00 0.00 +ATOM 491 H GLN 31 39.920 34.920 14.620 1.00 0.00 +ATOM 492 CA GLN 31 40.590 34.810 16.630 1.00 0.00 +ATOM 493 HA GLN 31 40.540 35.530 17.450 1.00 0.00 +ATOM 494 CB GLN 31 39.580 33.720 16.970 1.00 0.00 +ATOM 495 HB1 GLN 31 39.730 33.440 18.010 1.00 0.00 +ATOM 496 HB2 GLN 31 39.760 32.840 16.350 1.00 0.00 +ATOM 497 CG GLN 31 38.130 34.180 16.780 1.00 0.00 +ATOM 498 HG1 GLN 31 37.890 34.190 15.720 1.00 0.00 +ATOM 499 HG2 GLN 31 38.030 35.200 17.150 1.00 0.00 +ATOM 500 CD GLN 31 37.100 33.320 17.490 1.00 0.00 +ATOM 501 OE1 GLN 31 37.290 32.150 17.800 1.00 0.00 +ATOM 502 NE2 GLN 31 35.920 33.890 17.790 1.00 0.00 +ATOM 503 1HE2 GLN 31 35.740 34.850 17.530 1.00 0.00 +ATOM 504 2HE2 GLN 31 35.250 33.350 18.320 1.00 0.00 +ATOM 505 C GLN 31 42.040 34.330 16.600 1.00 0.00 +ATOM 506 O GLN 31 42.650 34.130 17.650 1.00 0.00 +ATOM 507 N ASP 32 42.650 34.260 15.420 1.00 0.00 +ATOM 508 H ASP 32 42.090 34.460 14.600 1.00 0.00 +ATOM 509 CA ASP 32 44.070 34.050 15.210 1.00 0.00 +ATOM 510 HA ASP 32 44.450 33.410 16.010 1.00 0.00 +ATOM 511 CB ASP 32 44.260 33.310 13.880 1.00 0.00 +ATOM 512 HB1 ASP 32 44.040 34.000 13.070 1.00 0.00 +ATOM 513 HB2 ASP 32 43.530 32.500 13.840 1.00 0.00 +ATOM 514 CG ASP 32 45.640 32.700 13.670 1.00 0.00 +ATOM 515 OD1 ASP 32 45.960 32.360 12.510 1.00 0.00 +ATOM 516 OD2 ASP 32 46.400 32.500 14.640 1.00 0.00 +ATOM 517 C ASP 32 44.830 35.360 15.260 1.00 0.00 +ATOM 518 O ASP 32 45.960 35.410 15.750 1.00 0.00 +ATOM 519 N LYS 33 44.200 36.470 14.850 1.00 0.00 +ATOM 520 H LYS 33 43.340 36.350 14.340 1.00 0.00 +ATOM 521 CA LYS 33 44.650 37.830 15.100 1.00 0.00 +ATOM 522 HA LYS 33 45.660 37.940 14.710 1.00 0.00 +ATOM 523 CB LYS 33 43.730 38.800 14.380 1.00 0.00 +ATOM 524 HB1 LYS 33 42.710 38.690 14.760 1.00 0.00 +ATOM 525 HB2 LYS 33 43.730 38.560 13.320 1.00 0.00 +ATOM 526 CG LYS 33 44.140 40.260 14.540 1.00 0.00 +ATOM 527 HG1 LYS 33 45.170 40.380 14.210 1.00 0.00 +ATOM 528 HG2 LYS 33 44.070 40.550 15.600 1.00 0.00 +ATOM 529 CD LYS 33 43.240 41.180 13.730 1.00 0.00 +ATOM 530 HD1 LYS 33 42.210 41.060 14.070 1.00 0.00 +ATOM 531 HD2 LYS 33 43.300 40.910 12.680 1.00 0.00 +ATOM 532 CE LYS 33 43.660 42.640 13.900 1.00 0.00 +ATOM 533 HE1 LYS 33 44.700 42.740 13.600 1.00 0.00 +ATOM 534 HE2 LYS 33 43.590 42.900 14.950 1.00 0.00 +ATOM 535 NZ LYS 33 42.820 43.540 13.100 1.00 0.00 +ATOM 536 HZ1 LYS 33 43.110 44.500 13.220 1.00 0.00 +ATOM 537 HZ2 LYS 33 42.880 43.320 12.120 1.00 0.00 +ATOM 538 HZ3 LYS 33 41.850 43.480 13.370 1.00 0.00 +ATOM 539 C LYS 33 44.720 38.140 16.590 1.00 0.00 +ATOM 540 O LYS 33 45.720 38.700 17.060 1.00 0.00 +ATOM 541 N GLU 34 43.700 37.740 17.360 1.00 0.00 +ATOM 542 H GLU 34 42.880 37.380 16.900 1.00 0.00 +ATOM 543 CA GLU 34 43.720 37.790 18.810 1.00 0.00 +ATOM 544 HA GLU 34 43.960 38.810 19.120 1.00 0.00 +ATOM 545 CB GLU 34 42.330 37.440 19.330 1.00 0.00 +ATOM 546 HB1 GLU 34 42.080 36.430 19.020 1.00 0.00 +ATOM 547 HB2 GLU 34 41.600 38.120 18.880 1.00 0.00 +ATOM 548 CG GLU 34 42.200 37.520 20.850 1.00 0.00 +ATOM 549 HG1 GLU 34 42.850 36.770 21.300 1.00 0.00 +ATOM 550 HG2 GLU 34 41.180 37.240 21.120 1.00 0.00 +ATOM 551 CD GLU 34 42.510 38.900 21.410 1.00 0.00 +ATOM 552 OE1 GLU 34 43.430 39.020 22.250 1.00 0.00 +ATOM 553 OE2 GLU 34 41.850 39.880 21.030 1.00 0.00 +ATOM 554 C GLU 34 44.780 36.870 19.390 1.00 0.00 +ATOM 555 O GLU 34 45.480 37.240 20.330 1.00 0.00 +ATOM 556 N GLY 35 44.960 35.680 18.800 1.00 0.00 +ATOM 557 H GLY 35 44.330 35.430 18.050 1.00 0.00 +ATOM 558 CA GLY 35 45.970 34.710 19.170 1.00 0.00 +ATOM 559 HA1 GLY 35 46.820 35.220 19.610 1.00 0.00 +ATOM 560 HA2 GLY 35 46.300 34.200 18.270 1.00 0.00 +ATOM 561 C GLY 35 45.480 33.650 20.150 1.00 0.00 +ATOM 562 O GLY 35 46.290 32.880 20.660 1.00 0.00 +ATOM 563 N ILE 36 44.170 33.590 20.410 1.00 0.00 +ATOM 564 H ILE 36 43.560 34.210 19.900 1.00 0.00 +ATOM 565 CA ILE 36 43.550 32.540 21.210 1.00 0.00 +ATOM 566 HA ILE 36 44.200 32.380 22.070 1.00 0.00 +ATOM 567 CB ILE 36 42.190 32.960 21.750 1.00 0.00 +ATOM 568 HB ILE 36 41.730 32.070 22.180 1.00 0.00 +ATOM 569 CG2 ILE 36 42.380 33.950 22.890 1.00 0.00 +ATOM 570 1HG2 ILE 36 41.420 34.200 23.340 1.00 0.00 +ATOM 571 2HG2 ILE 36 43.010 33.510 23.670 1.00 0.00 +ATOM 572 3HG2 ILE 36 42.860 34.860 22.530 1.00 0.00 +ATOM 573 CG1 ILE 36 41.230 33.490 20.680 1.00 0.00 +ATOM 574 1HG1 ILE 36 41.210 32.780 19.850 1.00 0.00 +ATOM 575 2HG1 ILE 36 41.590 34.450 20.310 1.00 0.00 +ATOM 576 CD ILE 36 39.790 33.650 21.170 1.00 0.00 +ATOM 577 HD1 ILE 36 39.160 33.920 20.320 1.00 0.00 +ATOM 578 HD2 ILE 36 39.440 32.710 21.590 1.00 0.00 +ATOM 579 HD3 ILE 36 39.720 34.440 21.910 1.00 0.00 +ATOM 580 C ILE 36 43.450 31.230 20.430 1.00 0.00 +ATOM 581 O ILE 36 43.250 31.240 19.210 1.00 0.00 +ATOM 582 N PRO 37 43.540 30.090 21.120 1.00 0.00 +ATOM 583 CD PRO 37 44.150 29.890 22.420 1.00 0.00 +ATOM 584 HD1 PRO 37 43.450 30.220 23.190 1.00 0.00 +ATOM 585 HD2 PRO 37 45.080 30.460 22.490 1.00 0.00 +ATOM 586 CG PRO 37 44.430 28.400 22.530 1.00 0.00 +ATOM 587 HG1 PRO 37 44.380 28.070 23.570 1.00 0.00 +ATOM 588 HG2 PRO 37 45.420 28.190 22.100 1.00 0.00 +ATOM 589 CB PRO 37 43.340 27.780 21.660 1.00 0.00 +ATOM 590 HB1 PRO 37 42.430 27.690 22.250 1.00 0.00 +ATOM 591 HB2 PRO 37 43.650 26.810 21.270 1.00 0.00 +ATOM 592 CA PRO 37 43.160 28.810 20.550 1.00 0.00 +ATOM 593 HA PRO 37 43.850 28.580 19.740 1.00 0.00 +ATOM 594 C PRO 37 41.720 28.780 20.050 1.00 0.00 +ATOM 595 O PRO 37 40.860 29.430 20.660 1.00 0.00 +ATOM 596 N PRO 38 41.350 28.070 18.980 1.00 0.00 +ATOM 597 CD PRO 38 42.280 27.370 18.110 1.00 0.00 +ATOM 598 HD1 PRO 38 42.480 26.360 18.480 1.00 0.00 +ATOM 599 HD2 PRO 38 43.220 27.900 17.940 1.00 0.00 +ATOM 600 CG PRO 38 41.580 27.270 16.760 1.00 0.00 +ATOM 601 HG1 PRO 38 41.880 26.400 16.180 1.00 0.00 +ATOM 602 HG2 PRO 38 41.700 28.180 16.190 1.00 0.00 +ATOM 603 CB PRO 38 40.110 27.140 17.180 1.00 0.00 +ATOM 604 HB1 PRO 38 39.880 26.110 17.410 1.00 0.00 +ATOM 605 HB2 PRO 38 39.430 27.520 16.420 1.00 0.00 +ATOM 606 CA PRO 38 40.010 27.980 18.450 1.00 0.00 +ATOM 607 HA PRO 38 39.700 29.000 18.200 1.00 0.00 +ATOM 608 C PRO 38 39.010 27.410 19.450 1.00 0.00 +ATOM 609 O PRO 38 37.850 27.790 19.440 1.00 0.00 +ATOM 610 N ASP 39 39.420 26.420 20.260 1.00 0.00 +ATOM 611 H ASP 39 40.410 26.200 20.270 1.00 0.00 +ATOM 612 CA ASP 39 38.580 25.630 21.140 1.00 0.00 +ATOM 613 HA ASP 39 37.580 25.630 20.700 1.00 0.00 +ATOM 614 CB ASP 39 39.040 24.180 21.140 1.00 0.00 +ATOM 615 HB1 ASP 39 38.910 23.790 20.130 1.00 0.00 +ATOM 616 HB2 ASP 39 38.370 23.600 21.780 1.00 0.00 +ATOM 617 CG ASP 39 40.490 23.920 21.550 1.00 0.00 +ATOM 618 OD1 ASP 39 41.290 24.870 21.700 1.00 0.00 +ATOM 619 OD2 ASP 39 40.840 22.730 21.690 1.00 0.00 +ATOM 620 C ASP 39 38.420 26.230 22.530 1.00 0.00 +ATOM 621 O ASP 39 38.480 25.530 23.540 1.00 0.00 +ATOM 622 N GLN 40 38.180 27.550 22.570 1.00 0.00 +ATOM 623 H GLN 40 38.210 28.030 21.690 1.00 0.00 +ATOM 624 CA GLN 40 37.760 28.280 23.750 1.00 0.00 +ATOM 625 HA GLN 40 37.520 27.580 24.560 1.00 0.00 +ATOM 626 CB GLN 40 38.870 29.210 24.230 1.00 0.00 +ATOM 627 HB1 GLN 40 38.550 29.650 25.170 1.00 0.00 +ATOM 628 HB2 GLN 40 38.980 30.010 23.500 1.00 0.00 +ATOM 629 CG GLN 40 40.230 28.550 24.430 1.00 0.00 +ATOM 630 HG1 GLN 40 40.640 28.280 23.460 1.00 0.00 +ATOM 631 HG2 GLN 40 40.110 27.650 25.030 1.00 0.00 +ATOM 632 CD GLN 40 41.200 29.490 25.140 1.00 0.00 +ATOM 633 OE1 GLN 40 41.860 29.130 26.110 1.00 0.00 +ATOM 634 NE2 GLN 40 41.330 30.740 24.690 1.00 0.00 +ATOM 635 1HE2 GLN 40 40.770 31.060 23.910 1.00 0.00 +ATOM 636 2HE2 GLN 40 41.960 31.360 25.180 1.00 0.00 +ATOM 637 C GLN 40 36.510 29.120 23.500 1.00 0.00 +ATOM 638 O GLN 40 35.850 29.540 24.440 1.00 0.00 +ATOM 639 N GLN 41 36.200 29.350 22.220 1.00 0.00 +ATOM 640 H GLN 41 36.780 28.940 21.510 1.00 0.00 +ATOM 641 CA GLN 41 35.010 30.040 21.750 1.00 0.00 +ATOM 642 HA GLN 41 34.500 30.510 22.590 1.00 0.00 +ATOM 643 CB GLN 41 35.370 31.110 20.730 1.00 0.00 +ATOM 644 HB1 GLN 41 34.480 31.720 20.550 1.00 0.00 +ATOM 645 HB2 GLN 41 35.630 30.640 19.780 1.00 0.00 +ATOM 646 CG GLN 41 36.520 32.030 21.120 1.00 0.00 +ATOM 647 HG1 GLN 41 36.510 32.910 20.490 1.00 0.00 +ATOM 648 HG2 GLN 41 37.460 31.500 20.950 1.00 0.00 +ATOM 649 CD GLN 41 36.460 32.470 22.580 1.00 0.00 +ATOM 650 OE1 GLN 41 37.300 32.120 23.410 1.00 0.00 +ATOM 651 NE2 GLN 41 35.420 33.210 22.960 1.00 0.00 +ATOM 652 1HE2 GLN 41 34.750 33.510 22.270 1.00 0.00 +ATOM 653 2HE2 GLN 41 35.330 33.430 23.940 1.00 0.00 +ATOM 654 C GLN 41 34.090 28.990 21.140 1.00 0.00 +ATOM 655 O GLN 41 34.520 28.180 20.320 1.00 0.00 +ATOM 656 N ARG 42 32.810 29.000 21.530 1.00 0.00 +ATOM 657 H ARG 42 32.500 29.730 22.160 1.00 0.00 +ATOM 658 CA ARG 42 31.830 28.010 21.120 1.00 0.00 +ATOM 659 HA ARG 42 32.300 27.270 20.470 1.00 0.00 +ATOM 660 CB ARG 42 31.270 27.280 22.340 1.00 0.00 +ATOM 661 HB1 ARG 42 30.550 26.530 21.990 1.00 0.00 +ATOM 662 HB2 ARG 42 30.730 28.000 22.950 1.00 0.00 +ATOM 663 CG ARG 42 32.310 26.590 23.220 1.00 0.00 +ATOM 664 HG1 ARG 42 31.790 26.120 24.050 1.00 0.00 +ATOM 665 HG2 ARG 42 32.980 27.340 23.630 1.00 0.00 +ATOM 666 CD ARG 42 33.130 25.530 22.490 1.00 0.00 +ATOM 667 HD1 ARG 42 33.620 25.990 21.630 1.00 0.00 +ATOM 668 HD2 ARG 42 32.460 24.750 22.140 1.00 0.00 +ATOM 669 NE ARG 42 34.160 24.950 23.350 1.00 0.00 +ATOM 670 HE ARG 42 34.120 25.170 24.340 1.00 0.00 +ATOM 671 CZ ARG 42 35.140 24.130 22.970 1.00 0.00 +ATOM 672 NH1 ARG 42 35.290 23.760 21.690 1.00 0.00 +ATOM 673 1HH1 ARG 42 34.630 24.090 21.000 1.00 0.00 +ATOM 674 2HH1 ARG 42 36.010 23.100 21.430 1.00 0.00 +ATOM 675 NH2 ARG 42 36.010 23.650 23.860 1.00 0.00 +ATOM 676 1HH2 ARG 42 35.970 23.940 24.820 1.00 0.00 +ATOM 677 2HH2 ARG 42 36.790 23.070 23.550 1.00 0.00 +ATOM 678 C ARG 42 30.730 28.670 20.300 1.00 0.00 +ATOM 679 O ARG 42 30.290 29.770 20.610 1.00 0.00 +ATOM 680 N LEU 43 30.290 27.950 19.260 1.00 0.00 +ATOM 681 H LEU 43 30.720 27.060 19.070 1.00 0.00 +ATOM 682 CA LEU 43 29.120 28.320 18.490 1.00 0.00 +ATOM 683 HA LEU 43 29.230 29.350 18.140 1.00 0.00 +ATOM 684 CB LEU 43 28.960 27.410 17.280 1.00 0.00 +ATOM 685 HB1 LEU 43 27.930 27.480 16.940 1.00 0.00 +ATOM 686 HB2 LEU 43 29.130 26.370 17.580 1.00 0.00 +ATOM 687 CG LEU 43 29.850 27.740 16.070 1.00 0.00 +ATOM 688 HG LEU 43 29.550 28.710 15.680 1.00 0.00 +ATOM 689 CD1 LEU 43 31.340 27.770 16.360 1.00 0.00 +ATOM 690 1HD1 LEU 43 31.890 27.940 15.430 1.00 0.00 +ATOM 691 2HD1 LEU 43 31.570 28.600 17.040 1.00 0.00 +ATOM 692 3HD1 LEU 43 31.660 26.830 16.800 1.00 0.00 +ATOM 693 CD2 LEU 43 29.620 26.680 15.000 1.00 0.00 +ATOM 694 1HD2 LEU 43 30.200 26.920 14.110 1.00 0.00 +ATOM 695 2HD2 LEU 43 29.910 25.700 15.370 1.00 0.00 +ATOM 696 3HD2 LEU 43 28.560 26.650 14.730 1.00 0.00 +ATOM 697 C LEU 43 27.890 28.260 19.390 1.00 0.00 +ATOM 698 O LEU 43 27.770 27.380 20.250 1.00 0.00 +ATOM 699 N ILE 44 26.980 29.210 19.180 1.00 0.00 +ATOM 700 H ILE 44 27.210 29.930 18.510 1.00 0.00 +ATOM 701 CA ILE 44 25.760 29.390 19.950 1.00 0.00 +ATOM 702 HA ILE 44 25.760 28.710 20.800 1.00 0.00 +ATOM 703 CB ILE 44 25.670 30.810 20.500 1.00 0.00 +ATOM 704 HB ILE 44 25.660 31.500 19.650 1.00 0.00 +ATOM 705 CG2 ILE 44 24.370 30.990 21.280 1.00 0.00 +ATOM 706 1HG2 ILE 44 24.280 32.010 21.650 1.00 0.00 +ATOM 707 2HG2 ILE 44 23.510 30.810 20.640 1.00 0.00 +ATOM 708 3HG2 ILE 44 24.350 30.300 22.130 1.00 0.00 +ATOM 709 CG1 ILE 44 26.860 31.160 21.390 1.00 0.00 +ATOM 710 1HG1 ILE 44 27.790 30.860 20.900 1.00 0.00 +ATOM 711 2HG1 ILE 44 26.790 30.600 22.320 1.00 0.00 +ATOM 712 CD ILE 44 27.010 32.640 21.700 1.00 0.00 +ATOM 713 HD1 ILE 44 27.920 32.800 22.270 1.00 0.00 +ATOM 714 HD2 ILE 44 27.090 33.210 20.770 1.00 0.00 +ATOM 715 HD3 ILE 44 26.160 33.010 22.280 1.00 0.00 +ATOM 716 C ILE 44 24.590 29.040 19.050 1.00 0.00 +ATOM 717 O ILE 44 24.410 29.640 17.990 1.00 0.00 +ATOM 718 N PHE 45 23.760 28.090 19.490 1.00 0.00 +ATOM 719 H PHE 45 23.980 27.650 20.370 1.00 0.00 +ATOM 720 CA PHE 45 22.480 27.780 18.900 1.00 0.00 +ATOM 721 HA PHE 45 22.160 28.610 18.270 1.00 0.00 +ATOM 722 CB PHE 45 22.580 26.550 18.000 1.00 0.00 +ATOM 723 HB1 PHE 45 22.890 25.690 18.600 1.00 0.00 +ATOM 724 HB2 PHE 45 23.360 26.720 17.250 1.00 0.00 +ATOM 725 CG PHE 45 21.300 26.220 17.270 1.00 0.00 +ATOM 726 CD1 PHE 45 20.580 25.060 17.570 1.00 0.00 +ATOM 727 HD1 PHE 45 20.940 24.370 18.330 1.00 0.00 +ATOM 728 CE1 PHE 45 19.380 24.770 16.900 1.00 0.00 +ATOM 729 HE1 PHE 45 18.840 23.870 17.130 1.00 0.00 +ATOM 730 CZ PHE 45 18.890 25.660 15.940 1.00 0.00 +ATOM 731 HZ PHE 45 17.970 25.440 15.420 1.00 0.00 +ATOM 732 CE2 PHE 45 19.600 26.830 15.640 1.00 0.00 +ATOM 733 HE2 PHE 45 19.230 27.510 14.890 1.00 0.00 +ATOM 734 CD2 PHE 45 20.810 27.100 16.300 1.00 0.00 +ATOM 735 HD2 PHE 45 21.360 28.000 16.050 1.00 0.00 +ATOM 736 C PHE 45 21.440 27.610 20.000 1.00 0.00 +ATOM 737 O PHE 45 21.730 27.030 21.050 1.00 0.00 +ATOM 738 N ALA 46 20.250 28.170 19.810 1.00 0.00 +ATOM 739 H ALA 46 20.090 28.650 18.930 1.00 0.00 +ATOM 740 CA ALA 46 19.180 28.240 20.790 1.00 0.00 +ATOM 741 HA ALA 46 18.370 28.790 20.310 1.00 0.00 +ATOM 742 CB ALA 46 18.630 26.830 21.040 1.00 0.00 +ATOM 743 HB1 ALA 46 17.730 26.890 21.650 1.00 0.00 +ATOM 744 HB2 ALA 46 18.390 26.350 20.100 1.00 0.00 +ATOM 745 HB3 ALA 46 19.370 26.230 21.580 1.00 0.00 +ATOM 746 C ALA 46 19.500 29.030 22.040 1.00 0.00 +ATOM 747 O ALA 46 18.880 28.820 23.090 1.00 0.00 +ATOM 748 N GLY 47 20.460 29.960 21.980 1.00 0.00 +ATOM 749 H GLY 47 20.910 30.110 21.090 1.00 0.00 +ATOM 750 CA GLY 47 20.900 30.750 23.110 1.00 0.00 +ATOM 751 HA1 GLY 47 20.030 31.160 23.640 1.00 0.00 +ATOM 752 HA2 GLY 47 21.500 31.580 22.750 1.00 0.00 +ATOM 753 C GLY 47 21.750 29.980 24.120 1.00 0.00 +ATOM 754 O GLY 47 21.860 30.410 25.270 1.00 0.00 +ATOM 755 N LYS 48 22.340 28.860 23.700 1.00 0.00 +ATOM 756 H LYS 48 22.170 28.580 22.750 1.00 0.00 +ATOM 757 CA LYS 48 23.230 28.020 24.480 1.00 0.00 +ATOM 758 HA LYS 48 23.560 28.550 25.370 1.00 0.00 +ATOM 759 CB LYS 48 22.500 26.750 24.920 1.00 0.00 +ATOM 760 HB1 LYS 48 23.210 26.110 25.440 1.00 0.00 +ATOM 761 HB2 LYS 48 22.140 26.220 24.040 1.00 0.00 +ATOM 762 CG LYS 48 21.320 27.010 25.850 1.00 0.00 +ATOM 763 HG1 LYS 48 20.550 27.590 25.330 1.00 0.00 +ATOM 764 HG2 LYS 48 21.670 27.600 26.710 1.00 0.00 +ATOM 765 CD LYS 48 20.700 25.710 26.350 1.00 0.00 +ATOM 766 HD1 LYS 48 21.450 25.110 26.850 1.00 0.00 +ATOM 767 HD2 LYS 48 20.340 25.150 25.490 1.00 0.00 +ATOM 768 CE LYS 48 19.520 25.930 27.290 1.00 0.00 +ATOM 769 HE1 LYS 48 19.060 24.970 27.490 1.00 0.00 +ATOM 770 HE2 LYS 48 18.780 26.560 26.800 1.00 0.00 +ATOM 771 NZ LYS 48 19.920 26.550 28.570 1.00 0.00 +ATOM 772 HZ1 LYS 48 19.120 26.660 29.180 1.00 0.00 +ATOM 773 HZ2 LYS 48 20.600 25.970 29.060 1.00 0.00 +ATOM 774 HZ3 LYS 48 20.330 27.460 28.430 1.00 0.00 +ATOM 775 C LYS 48 24.460 27.680 23.660 1.00 0.00 +ATOM 776 O LYS 48 24.360 27.370 22.470 1.00 0.00 +ATOM 777 N GLN 49 25.640 27.730 24.280 1.00 0.00 +ATOM 778 H GLN 49 25.660 28.010 25.260 1.00 0.00 +ATOM 779 CA GLN 49 26.870 27.210 23.700 1.00 0.00 +ATOM 780 HA GLN 49 26.990 27.650 22.710 1.00 0.00 +ATOM 781 CB GLN 49 28.070 27.610 24.550 1.00 0.00 +ATOM 782 HB1 GLN 49 28.950 27.080 24.190 1.00 0.00 +ATOM 783 HB2 GLN 49 27.900 27.300 25.580 1.00 0.00 +ATOM 784 CG GLN 49 28.350 29.110 24.500 1.00 0.00 +ATOM 785 HG1 GLN 49 27.510 29.660 24.920 1.00 0.00 +ATOM 786 HG2 GLN 49 28.490 29.410 23.460 1.00 0.00 +ATOM 787 CD GLN 49 29.610 29.490 25.280 1.00 0.00 +ATOM 788 OE1 GLN 49 30.600 29.970 24.730 1.00 0.00 +ATOM 789 NE2 GLN 49 29.630 29.290 26.600 1.00 0.00 +ATOM 790 1HE2 GLN 49 28.840 28.880 27.070 1.00 0.00 +ATOM 791 2HE2 GLN 49 30.470 29.540 27.100 1.00 0.00 +ATOM 792 C GLN 49 26.790 25.700 23.540 1.00 0.00 +ATOM 793 O GLN 49 26.090 25.030 24.300 1.00 0.00 +ATOM 794 N LEU 50 27.500 25.150 22.560 1.00 0.00 +ATOM 795 H LEU 50 28.000 25.770 21.930 1.00 0.00 +ATOM 796 CA LEU 50 27.510 23.730 22.280 1.00 0.00 +ATOM 797 HA LEU 50 26.470 23.440 22.110 1.00 0.00 +ATOM 798 CB LEU 50 28.260 23.450 20.980 1.00 0.00 +ATOM 799 HB1 LEU 50 27.820 24.090 20.210 1.00 0.00 +ATOM 800 HB2 LEU 50 28.050 22.420 20.680 1.00 0.00 +ATOM 801 CG LEU 50 29.770 23.660 21.030 1.00 0.00 +ATOM 802 HG LEU 50 30.020 24.350 21.840 1.00 0.00 +ATOM 803 CD1 LEU 50 30.540 22.370 21.240 1.00 0.00 +ATOM 804 1HD1 LEU 50 31.610 22.570 21.260 1.00 0.00 +ATOM 805 2HD1 LEU 50 30.270 21.910 22.190 1.00 0.00 +ATOM 806 3HD1 LEU 50 30.330 21.660 20.430 1.00 0.00 +ATOM 807 CD2 LEU 50 30.260 24.290 19.730 1.00 0.00 +ATOM 808 1HD2 LEU 50 31.340 24.460 19.780 1.00 0.00 +ATOM 809 2HD2 LEU 50 30.030 23.640 18.890 1.00 0.00 +ATOM 810 3HD2 LEU 50 29.760 25.250 19.590 1.00 0.00 +ATOM 811 C LEU 50 28.010 22.890 23.450 1.00 0.00 +ATOM 812 O LEU 50 28.890 23.290 24.210 1.00 0.00 +ATOM 813 N GLU 51 27.450 21.680 23.580 1.00 0.00 +ATOM 814 H GLU 51 26.770 21.410 22.880 1.00 0.00 +ATOM 815 CA GLU 51 27.870 20.660 24.520 1.00 0.00 +ATOM 816 HA GLU 51 28.630 21.060 25.190 1.00 0.00 +ATOM 817 CB GLU 51 26.700 20.180 25.370 1.00 0.00 +ATOM 818 HB1 GLU 51 27.050 19.400 26.040 1.00 0.00 +ATOM 819 HB2 GLU 51 25.940 19.760 24.720 1.00 0.00 +ATOM 820 CG GLU 51 26.040 21.270 26.220 1.00 0.00 +ATOM 821 HG1 GLU 51 25.730 22.090 25.560 1.00 0.00 +ATOM 822 HG2 GLU 51 26.790 21.670 26.910 1.00 0.00 +ATOM 823 CD GLU 51 24.830 20.800 27.010 1.00 0.00 +ATOM 824 OE1 GLU 51 24.460 19.600 26.940 1.00 0.00 +ATOM 825 OE2 GLU 51 24.210 21.630 27.690 1.00 0.00 +ATOM 826 C GLU 51 28.500 19.490 23.770 1.00 0.00 +ATOM 827 O GLU 51 28.110 19.180 22.650 1.00 0.00 +ATOM 828 N ASP 52 29.450 18.790 24.400 1.00 0.00 +ATOM 829 H ASP 52 29.680 19.020 25.360 1.00 0.00 +ATOM 830 CA ASP 52 30.200 17.720 23.780 1.00 0.00 +ATOM 831 HA ASP 52 30.260 17.910 22.710 1.00 0.00 +ATOM 832 CB ASP 52 31.640 17.720 24.300 1.00 0.00 +ATOM 833 HB1 ASP 52 32.080 18.690 24.060 1.00 0.00 +ATOM 834 HB2 ASP 52 32.210 16.970 23.750 1.00 0.00 +ATOM 835 CG ASP 52 31.820 17.500 25.800 1.00 0.00 +ATOM 836 OD1 ASP 52 30.830 17.410 26.560 1.00 0.00 +ATOM 837 OD2 ASP 52 32.990 17.410 26.230 1.00 0.00 +ATOM 838 C ASP 52 29.550 16.350 23.930 1.00 0.00 +ATOM 839 O ASP 52 30.050 15.370 23.390 1.00 0.00 +ATOM 840 N GLY 53 28.420 16.270 24.630 1.00 0.00 +ATOM 841 H GLY 53 28.090 17.130 25.070 1.00 0.00 +ATOM 842 CA GLY 53 27.580 15.100 24.740 1.00 0.00 +ATOM 843 HA1 GLY 53 27.070 15.130 25.710 1.00 0.00 +ATOM 844 HA2 GLY 53 28.190 14.200 24.710 1.00 0.00 +ATOM 845 C GLY 53 26.510 14.980 23.660 1.00 0.00 +ATOM 846 O GLY 53 25.840 13.960 23.580 1.00 0.00 +ATOM 847 N ARG 54 26.330 16.020 22.840 1.00 0.00 +ATOM 848 H ARG 54 26.940 16.810 22.950 1.00 0.00 +ATOM 849 CA ARG 54 25.330 16.080 21.790 1.00 0.00 +ATOM 850 HA ARG 54 24.370 15.820 22.220 1.00 0.00 +ATOM 851 CB ARG 54 25.230 17.490 21.200 1.00 0.00 +ATOM 852 HB1 ARG 54 24.540 17.470 20.360 1.00 0.00 +ATOM 853 HB2 ARG 54 26.210 17.800 20.840 1.00 0.00 +ATOM 854 CG ARG 54 24.710 18.490 22.230 1.00 0.00 +ATOM 855 HG1 ARG 54 25.400 18.500 23.070 1.00 0.00 +ATOM 856 HG2 ARG 54 23.730 18.160 22.590 1.00 0.00 +ATOM 857 CD ARG 54 24.580 19.910 21.680 1.00 0.00 +ATOM 858 HD1 ARG 54 23.840 19.910 20.880 1.00 0.00 +ATOM 859 HD2 ARG 54 25.540 20.220 21.270 1.00 0.00 +ATOM 860 NE ARG 54 24.170 20.830 22.730 1.00 0.00 +ATOM 861 HE ARG 54 24.040 20.450 23.650 1.00 0.00 +ATOM 862 CZ ARG 54 23.900 22.140 22.600 1.00 0.00 +ATOM 863 NH1 ARG 54 23.980 22.770 21.420 1.00 0.00 +ATOM 864 1HH1 ARG 54 24.200 22.230 20.590 1.00 0.00 +ATOM 865 2HH1 ARG 54 23.740 23.740 21.350 1.00 0.00 +ATOM 866 NH2 ARG 54 23.560 22.880 23.660 1.00 0.00 +ATOM 867 1HH2 ARG 54 23.490 22.460 24.580 1.00 0.00 +ATOM 868 2HH2 ARG 54 23.420 23.870 23.550 1.00 0.00 +ATOM 869 C ARG 54 25.610 15.060 20.690 1.00 0.00 +ATOM 870 O ARG 54 26.750 14.840 20.300 1.00 0.00 +ATOM 871 N THR 55 24.530 14.490 20.150 1.00 0.00 +ATOM 872 H THR 55 23.630 14.760 20.530 1.00 0.00 +ATOM 873 CA THR 55 24.520 13.610 19.000 1.00 0.00 +ATOM 874 HA THR 55 25.540 13.390 18.680 1.00 0.00 +ATOM 875 CB THR 55 23.830 12.280 19.310 1.00 0.00 +ATOM 876 HB THR 55 22.760 12.450 19.440 1.00 0.00 +ATOM 877 CG2 THR 55 24.050 11.240 18.220 1.00 0.00 +ATOM 878 1HG2 THR 55 23.540 10.310 18.490 1.00 0.00 +ATOM 879 2HG2 THR 55 23.650 11.590 17.270 1.00 0.00 +ATOM 880 3HG2 THR 55 25.120 11.040 18.110 1.00 0.00 +ATOM 881 OG1 THR 55 24.340 11.720 20.500 1.00 0.00 +ATOM 882 HG1 THR 55 23.810 10.940 20.690 1.00 0.00 +ATOM 883 C THR 55 23.790 14.320 17.860 1.00 0.00 +ATOM 884 O THR 55 22.770 14.950 18.100 1.00 0.00 +ATOM 885 N LEU 56 24.280 14.210 16.620 1.00 0.00 +ATOM 886 H LEU 56 25.110 13.650 16.470 1.00 0.00 +ATOM 887 CA LEU 56 23.760 14.990 15.520 1.00 0.00 +ATOM 888 HA LEU 56 23.770 16.030 15.840 1.00 0.00 +ATOM 889 CB LEU 56 24.700 14.860 14.320 1.00 0.00 +ATOM 890 HB1 LEU 56 24.640 13.840 13.940 1.00 0.00 +ATOM 891 HB2 LEU 56 25.720 15.030 14.670 1.00 0.00 +ATOM 892 CG LEU 56 24.430 15.830 13.180 1.00 0.00 +ATOM 893 HG LEU 56 23.420 15.670 12.790 1.00 0.00 +ATOM 894 CD1 LEU 56 24.580 17.300 13.570 1.00 0.00 +ATOM 895 1HD1 LEU 56 24.440 17.930 12.700 1.00 0.00 +ATOM 896 2HD1 LEU 56 23.820 17.570 14.310 1.00 0.00 +ATOM 897 3HD1 LEU 56 25.570 17.470 13.990 1.00 0.00 +ATOM 898 CD2 LEU 56 25.410 15.560 12.040 1.00 0.00 +ATOM 899 1HD2 LEU 56 25.210 16.240 11.210 1.00 0.00 +ATOM 900 2HD2 LEU 56 26.430 15.690 12.380 1.00 0.00 +ATOM 901 3HD2 LEU 56 25.280 14.540 11.680 1.00 0.00 +ATOM 902 C LEU 56 22.310 14.650 15.170 1.00 0.00 +ATOM 903 O LEU 56 21.600 15.510 14.650 1.00 0.00 +ATOM 904 N SER 57 21.840 13.460 15.520 1.00 0.00 +ATOM 905 H SER 57 22.460 12.810 15.980 1.00 0.00 +ATOM 906 CA SER 57 20.450 13.040 15.380 1.00 0.00 +ATOM 907 HA SER 57 20.160 13.150 14.340 1.00 0.00 +ATOM 908 CB SER 57 20.330 11.570 15.750 1.00 0.00 +ATOM 909 HB1 SER 57 20.850 10.970 15.010 1.00 0.00 +ATOM 910 HB2 SER 57 19.270 11.280 15.740 1.00 0.00 +ATOM 911 OG SER 57 20.870 11.310 17.020 1.00 0.00 +ATOM 912 HG SER 57 20.630 10.410 17.270 1.00 0.00 +ATOM 913 C SER 57 19.470 13.860 16.220 1.00 0.00 +ATOM 914 O SER 57 18.380 14.170 15.750 1.00 0.00 +ATOM 915 N ASP 58 19.860 14.240 17.440 1.00 0.00 +ATOM 916 H ASP 58 20.790 13.960 17.730 1.00 0.00 +ATOM 917 CA ASP 58 19.050 14.970 18.400 1.00 0.00 +ATOM 918 HA ASP 58 18.020 14.980 18.050 1.00 0.00 +ATOM 919 CB ASP 58 19.050 14.240 19.740 1.00 0.00 +ATOM 920 HB1 ASP 58 18.430 14.810 20.440 1.00 0.00 +ATOM 921 HB2 ASP 58 20.070 14.250 20.130 1.00 0.00 +ATOM 922 CG ASP 58 18.540 12.810 19.730 1.00 0.00 +ATOM 923 OD1 ASP 58 18.790 12.100 20.730 1.00 0.00 +ATOM 924 OD2 ASP 58 17.820 12.380 18.800 1.00 0.00 +ATOM 925 C ASP 58 19.450 16.430 18.560 1.00 0.00 +ATOM 926 O ASP 58 18.760 17.180 19.250 1.00 0.00 +ATOM 927 N TYR 59 20.530 16.860 17.910 1.00 0.00 +ATOM 928 H TYR 59 21.060 16.160 17.400 1.00 0.00 +ATOM 929 CA TYR 59 20.990 18.230 17.840 1.00 0.00 +ATOM 930 HA TYR 59 20.550 18.800 18.660 1.00 0.00 +ATOM 931 CB TYR 59 22.510 18.250 18.010 1.00 0.00 +ATOM 932 HB1 TYR 59 22.950 17.650 17.220 1.00 0.00 +ATOM 933 HB2 TYR 59 22.740 17.760 18.960 1.00 0.00 +ATOM 934 CG TYR 59 23.210 19.590 18.020 1.00 0.00 +ATOM 935 CD1 TYR 59 24.590 19.610 17.810 1.00 0.00 +ATOM 936 HD1 TYR 59 25.120 18.690 17.620 1.00 0.00 +ATOM 937 CE1 TYR 59 25.300 20.820 17.850 1.00 0.00 +ATOM 938 HE1 TYR 59 26.370 20.840 17.690 1.00 0.00 +ATOM 939 CZ TYR 59 24.620 22.030 18.080 1.00 0.00 +ATOM 940 OH TYR 59 25.300 23.210 18.140 1.00 0.00 +ATOM 941 HH TYR 59 24.710 23.960 18.250 1.00 0.00 +ATOM 942 CE2 TYR 59 23.220 22.010 18.290 1.00 0.00 +ATOM 943 HE2 TYR 59 22.690 22.930 18.470 1.00 0.00 +ATOM 944 CD2 TYR 59 22.530 20.790 18.260 1.00 0.00 +ATOM 945 HD2 TYR 59 21.460 20.800 18.440 1.00 0.00 +ATOM 946 C TYR 59 20.530 18.860 16.530 1.00 0.00 +ATOM 947 O TYR 59 19.710 19.780 16.540 1.00 0.00 +ATOM 948 N ASN 60 21.000 18.290 15.420 1.00 0.00 +ATOM 949 H ASN 60 21.640 17.520 15.550 1.00 0.00 +ATOM 950 CA ASN 60 20.680 18.580 14.030 1.00 0.00 +ATOM 951 HA ASN 60 21.260 17.870 13.440 1.00 0.00 +ATOM 952 CB ASN 60 19.210 18.240 13.770 1.00 0.00 +ATOM 953 HB1 ASN 60 18.580 18.990 14.250 1.00 0.00 +ATOM 954 HB2 ASN 60 18.980 17.270 14.210 1.00 0.00 +ATOM 955 CG ASN 60 18.850 18.170 12.290 1.00 0.00 +ATOM 956 OD1 ASN 60 19.690 18.150 11.400 1.00 0.00 +ATOM 957 ND2 ASN 60 17.550 18.120 11.990 1.00 0.00 +ATOM 958 1HD2 ASN 60 16.860 18.130 12.720 1.00 0.00 +ATOM 959 2HD2 ASN 60 17.290 18.060 11.010 1.00 0.00 +ATOM 960 C ASN 60 21.090 19.970 13.580 1.00 0.00 +ATOM 961 O ASN 60 20.500 20.980 13.950 1.00 0.00 +ATOM 962 N ILE 61 22.100 20.020 12.700 1.00 0.00 +ATOM 963 H ILE 61 22.490 19.140 12.390 1.00 0.00 +ATOM 964 CA ILE 61 22.510 21.220 11.990 1.00 0.00 +ATOM 965 HA ILE 61 22.140 22.100 12.520 1.00 0.00 +ATOM 966 CB ILE 61 24.030 21.340 11.930 1.00 0.00 +ATOM 967 HB ILE 61 24.420 20.500 11.350 1.00 0.00 +ATOM 968 CG2 ILE 61 24.450 22.620 11.200 1.00 0.00 +ATOM 969 1HG2 ILE 61 25.530 22.690 11.170 1.00 0.00 +ATOM 970 2HG2 ILE 61 24.090 22.610 10.170 1.00 0.00 +ATOM 971 3HG2 ILE 61 24.040 23.500 11.700 1.00 0.00 +ATOM 972 CG1 ILE 61 24.700 21.280 13.300 1.00 0.00 +ATOM 973 1HG1 ILE 61 25.780 21.350 13.160 1.00 0.00 +ATOM 974 2HG1 ILE 61 24.510 20.300 13.740 1.00 0.00 +ATOM 975 CD ILE 61 24.280 22.340 14.300 1.00 0.00 +ATOM 976 HD1 ILE 61 24.820 22.180 15.240 1.00 0.00 +ATOM 977 HD2 ILE 61 24.520 23.340 13.940 1.00 0.00 +ATOM 978 HD3 ILE 61 23.210 22.280 14.510 1.00 0.00 +ATOM 979 C ILE 61 21.860 21.190 10.610 1.00 0.00 +ATOM 980 O ILE 61 22.020 20.230 9.860 1.00 0.00 +ATOM 981 N GLN 62 21.120 22.250 10.290 1.00 0.00 +ATOM 982 H GLN 62 21.090 23.020 10.950 1.00 0.00 +ATOM 983 CA GLN 62 20.400 22.430 9.040 1.00 0.00 +ATOM 984 HA GLN 62 20.720 21.660 8.330 1.00 0.00 +ATOM 985 CB GLN 62 18.900 22.270 9.260 1.00 0.00 +ATOM 986 HB1 GLN 62 18.400 22.370 8.300 1.00 0.00 +ATOM 987 HB2 GLN 62 18.540 23.070 9.910 1.00 0.00 +ATOM 988 CG GLN 62 18.500 20.920 9.850 1.00 0.00 +ATOM 989 HG1 GLN 62 18.830 20.860 10.890 1.00 0.00 +ATOM 990 HG2 GLN 62 18.970 20.120 9.290 1.00 0.00 +ATOM 991 CD GLN 62 16.990 20.720 9.830 1.00 0.00 +ATOM 992 OE1 GLN 62 16.220 21.420 10.490 1.00 0.00 +ATOM 993 NE2 GLN 62 16.480 19.770 9.040 1.00 0.00 +ATOM 994 1HE2 GLN 62 17.080 19.200 8.460 1.00 0.00 +ATOM 995 2HE2 GLN 62 15.470 19.670 9.010 1.00 0.00 +ATOM 996 C GLN 62 20.740 23.770 8.420 1.00 0.00 +ATOM 997 O GLN 62 21.360 24.630 9.040 1.00 0.00 +ATOM 998 N LYS 63 20.320 23.960 7.170 1.00 0.00 +ATOM 999 H LYS 63 19.800 23.220 6.720 1.00 0.00 +ATOM 1000 CA LYS 63 20.520 25.190 6.420 1.00 0.00 +ATOM 1001 HA LYS 63 21.600 25.370 6.400 1.00 0.00 +ATOM 1002 CB LYS 63 20.070 25.020 4.970 1.00 0.00 +ATOM 1003 HB1 LYS 63 20.670 24.210 4.550 1.00 0.00 +ATOM 1004 HB2 LYS 63 20.300 25.920 4.410 1.00 0.00 +ATOM 1005 CG LYS 63 18.600 24.650 4.750 1.00 0.00 +ATOM 1006 HG1 LYS 63 18.230 24.040 5.580 1.00 0.00 +ATOM 1007 HG2 LYS 63 18.550 24.040 3.850 1.00 0.00 +ATOM 1008 CD LYS 63 17.690 25.860 4.560 1.00 0.00 +ATOM 1009 HD1 LYS 63 18.050 26.460 3.720 1.00 0.00 +ATOM 1010 HD2 LYS 63 17.670 26.470 5.460 1.00 0.00 +ATOM 1011 CE LYS 63 16.260 25.390 4.250 1.00 0.00 +ATOM 1012 HE1 LYS 63 15.910 24.770 5.070 1.00 0.00 +ATOM 1013 HE2 LYS 63 16.280 24.780 3.350 1.00 0.00 +ATOM 1014 NZ LYS 63 15.360 26.540 4.060 1.00 0.00 +ATOM 1015 HZ1 LYS 63 14.420 26.230 3.870 1.00 0.00 +ATOM 1016 HZ2 LYS 63 15.340 27.130 4.880 1.00 0.00 +ATOM 1017 HZ3 LYS 63 15.660 27.120 3.290 1.00 0.00 +ATOM 1018 C LYS 63 19.900 26.400 7.100 1.00 0.00 +ATOM 1019 O LYS 63 18.880 26.290 7.790 1.00 0.00 +ATOM 1020 N GLU 64 20.520 27.570 6.890 1.00 0.00 +ATOM 1021 H GLU 64 21.330 27.540 6.290 1.00 0.00 +ATOM 1022 CA GLU 64 20.100 28.850 7.420 1.00 0.00 +ATOM 1023 HA GLU 64 20.880 29.570 7.140 1.00 0.00 +ATOM 1024 CB GLU 64 18.820 29.320 6.740 1.00 0.00 +ATOM 1025 HB1 GLU 64 18.530 30.300 7.150 1.00 0.00 +ATOM 1026 HB2 GLU 64 18.010 28.620 6.970 1.00 0.00 +ATOM 1027 CG GLU 64 18.950 29.470 5.230 1.00 0.00 +ATOM 1028 HG1 GLU 64 19.180 28.500 4.790 1.00 0.00 +ATOM 1029 HG2 GLU 64 19.790 30.130 5.020 1.00 0.00 +ATOM 1030 CD GLU 64 17.670 30.000 4.610 1.00 0.00 +ATOM 1031 OE1 GLU 64 17.710 31.110 4.030 1.00 0.00 +ATOM 1032 OE2 GLU 64 16.640 29.310 4.650 1.00 0.00 +ATOM 1033 C GLU 64 20.050 28.920 8.940 1.00 0.00 +ATOM 1034 O GLU 64 19.400 29.800 9.500 1.00 0.00 +ATOM 1035 N SER 65 20.750 28.030 9.640 1.00 0.00 +ATOM 1036 H SER 65 21.280 27.330 9.130 1.00 0.00 +ATOM 1037 CA SER 65 20.900 28.090 11.080 1.00 0.00 +ATOM 1038 HA SER 65 19.920 28.210 11.530 1.00 0.00 +ATOM 1039 CB SER 65 21.510 26.790 11.600 1.00 0.00 +ATOM 1040 HB1 SER 65 22.510 26.650 11.190 1.00 0.00 +ATOM 1041 HB2 SER 65 20.880 25.950 11.300 1.00 0.00 +ATOM 1042 OG SER 65 21.570 26.820 13.010 1.00 0.00 +ATOM 1043 HG SER 65 21.960 26.000 13.310 1.00 0.00 +ATOM 1044 C SER 65 21.770 29.290 11.440 1.00 0.00 +ATOM 1045 O SER 65 22.890 29.410 10.950 1.00 0.00 +ATOM 1046 N THR 66 21.250 30.200 12.270 1.00 0.00 +ATOM 1047 H THR 66 20.310 30.080 12.620 1.00 0.00 +ATOM 1048 CA THR 66 22.030 31.280 12.830 1.00 0.00 +ATOM 1049 HA THR 66 22.620 31.720 12.030 1.00 0.00 +ATOM 1050 CB THR 66 21.180 32.400 13.420 1.00 0.00 +ATOM 1051 HB THR 66 21.810 33.060 14.010 1.00 0.00 +ATOM 1052 CG2 THR 66 20.520 33.220 12.320 1.00 0.00 +ATOM 1053 1HG2 THR 66 19.930 34.030 12.770 1.00 0.00 +ATOM 1054 2HG2 THR 66 21.290 33.660 11.680 1.00 0.00 +ATOM 1055 3HG2 THR 66 19.870 32.590 11.720 1.00 0.00 +ATOM 1056 OG1 THR 66 20.150 31.890 14.240 1.00 0.00 +ATOM 1057 HG1 THR 66 19.720 32.650 14.650 1.00 0.00 +ATOM 1058 C THR 66 23.010 30.750 13.870 1.00 0.00 +ATOM 1059 O THR 66 22.660 29.970 14.750 1.00 0.00 +ATOM 1060 N LEU 67 24.260 31.200 13.750 1.00 0.00 +ATOM 1061 H LEU 67 24.470 31.830 12.980 1.00 0.00 +ATOM 1062 CA LEU 67 25.380 30.840 14.600 1.00 0.00 +ATOM 1063 HA LEU 67 25.020 30.390 15.520 1.00 0.00 +ATOM 1064 CB LEU 67 26.300 29.860 13.880 1.00 0.00 +ATOM 1065 HB1 LEU 67 27.160 29.660 14.520 1.00 0.00 +ATOM 1066 HB2 LEU 67 26.680 30.350 12.980 1.00 0.00 +ATOM 1067 CG LEU 67 25.660 28.530 13.480 1.00 0.00 +ATOM 1068 HG LEU 67 24.730 28.710 12.950 1.00 0.00 +ATOM 1069 CD1 LEU 67 26.600 27.790 12.530 1.00 0.00 +ATOM 1070 1HD1 LEU 67 26.170 26.830 12.260 1.00 0.00 +ATOM 1071 2HD1 LEU 67 26.740 28.380 11.630 1.00 0.00 +ATOM 1072 3HD1 LEU 67 27.570 27.630 13.000 1.00 0.00 +ATOM 1073 CD2 LEU 67 25.380 27.640 14.690 1.00 0.00 +ATOM 1074 1HD2 LEU 67 24.930 26.710 14.350 1.00 0.00 +ATOM 1075 2HD2 LEU 67 26.300 27.430 15.230 1.00 0.00 +ATOM 1076 3HD2 LEU 67 24.670 28.140 15.350 1.00 0.00 +ATOM 1077 C LEU 67 26.130 32.120 14.950 1.00 0.00 +ATOM 1078 O LEU 67 26.330 32.990 14.110 1.00 0.00 +ATOM 1079 N HIS 68 26.570 32.210 16.210 1.00 0.00 +ATOM 1080 H HIS 68 26.390 31.430 16.830 1.00 0.00 +ATOM 1081 CA HIS 68 27.390 33.290 16.710 1.00 0.00 +ATOM 1082 HA HIS 68 27.910 33.770 15.880 1.00 0.00 +ATOM 1083 CB HIS 68 26.510 34.330 17.390 1.00 0.00 +ATOM 1084 HB1 HIS 68 25.990 33.870 18.240 1.00 0.00 +ATOM 1085 HB2 HIS 68 25.750 34.660 16.680 1.00 0.00 +ATOM 1086 CG HIS 68 27.240 35.550 17.880 1.00 0.00 +ATOM 1087 ND1 HIS 68 27.770 35.710 19.160 1.00 0.00 +ATOM 1088 CE1 HIS 68 28.280 36.950 19.200 1.00 0.00 +ATOM 1089 HE1 HIS 68 28.740 37.400 20.070 1.00 0.00 +ATOM 1090 NE2 HIS 68 28.100 37.570 18.020 1.00 0.00 +ATOM 1091 HE2 HIS 68 28.380 38.520 17.810 1.00 0.00 +ATOM 1092 CD2 HIS 68 27.450 36.700 17.170 1.00 0.00 +ATOM 1093 HD2 HIS 68 27.140 36.900 16.160 1.00 0.00 +ATOM 1094 C HIS 68 28.440 32.700 17.640 1.00 0.00 +ATOM 1095 O HIS 68 28.190 31.690 18.310 1.00 0.00 +ATOM 1096 N LEU 69 29.620 33.310 17.660 1.00 0.00 +ATOM 1097 H LEU 69 29.740 34.120 17.070 1.00 0.00 +ATOM 1098 CA LEU 69 30.700 33.020 18.590 1.00 0.00 +ATOM 1099 HA LEU 69 30.260 32.560 19.470 1.00 0.00 +ATOM 1100 CB LEU 69 31.700 32.030 18.020 1.00 0.00 +ATOM 1101 HB1 LEU 69 31.190 31.080 17.830 1.00 0.00 +ATOM 1102 HB2 LEU 69 32.430 31.840 18.820 1.00 0.00 +ATOM 1103 CG LEU 69 32.470 32.430 16.760 1.00 0.00 +ATOM 1104 HG LEU 69 32.810 33.460 16.840 1.00 0.00 +ATOM 1105 CD1 LEU 69 33.700 31.540 16.610 1.00 0.00 +ATOM 1106 1HD1 LEU 69 34.290 31.880 15.760 1.00 0.00 +ATOM 1107 2HD1 LEU 69 34.330 31.610 17.500 1.00 0.00 +ATOM 1108 3HD1 LEU 69 33.380 30.510 16.440 1.00 0.00 +ATOM 1109 CD2 LEU 69 31.670 32.250 15.480 1.00 0.00 +ATOM 1110 1HD2 LEU 69 32.280 32.550 14.620 1.00 0.00 +ATOM 1111 2HD2 LEU 69 31.360 31.210 15.360 1.00 0.00 +ATOM 1112 3HD2 LEU 69 30.790 32.890 15.480 1.00 0.00 +ATOM 1113 C LEU 69 31.310 34.350 19.020 1.00 0.00 +ATOM 1114 O LEU 69 31.530 35.250 18.220 1.00 0.00 +ATOM 1115 N VAL 70 31.580 34.450 20.330 1.00 0.00 +ATOM 1116 H VAL 70 31.380 33.660 20.920 1.00 0.00 +ATOM 1117 CA VAL 70 32.170 35.630 20.930 1.00 0.00 +ATOM 1118 HA VAL 70 31.830 36.500 20.360 1.00 0.00 +ATOM 1119 CB VAL 70 31.700 35.840 22.370 1.00 0.00 +ATOM 1120 HB VAL 70 32.150 36.760 22.740 1.00 0.00 +ATOM 1121 CG1 VAL 70 30.190 36.010 22.430 1.00 0.00 +ATOM 1122 1HG1 VAL 70 29.880 36.190 23.460 1.00 0.00 +ATOM 1123 2HG1 VAL 70 29.900 36.880 21.840 1.00 0.00 +ATOM 1124 3HG1 VAL 70 29.680 35.130 22.060 1.00 0.00 +ATOM 1125 CG2 VAL 70 32.120 34.710 23.300 1.00 0.00 +ATOM 1126 1HG2 VAL 70 31.760 34.910 24.310 1.00 0.00 +ATOM 1127 2HG2 VAL 70 31.700 33.760 22.960 1.00 0.00 +ATOM 1128 3HG2 VAL 70 33.200 34.640 23.340 1.00 0.00 +ATOM 1129 C VAL 70 33.690 35.580 20.820 1.00 0.00 +ATOM 1130 O VAL 70 34.280 34.510 20.700 1.00 0.00 +ATOM 1131 N LEU 71 34.330 36.750 20.920 1.00 0.00 +ATOM 1132 H LEU 71 33.770 37.580 21.050 1.00 0.00 +ATOM 1133 CA LEU 71 35.740 36.880 21.190 1.00 0.00 +ATOM 1134 HA LEU 71 36.240 35.930 20.990 1.00 0.00 +ATOM 1135 CB LEU 71 36.340 37.960 20.290 1.00 0.00 +ATOM 1136 HB1 LEU 71 35.970 38.930 20.620 1.00 0.00 +ATOM 1137 HB2 LEU 71 35.990 37.810 19.270 1.00 0.00 +ATOM 1138 CG LEU 71 37.860 37.980 20.300 1.00 0.00 +ATOM 1139 HG LEU 71 38.230 37.880 21.330 1.00 0.00 +ATOM 1140 CD1 LEU 71 38.430 36.840 19.460 1.00 0.00 +ATOM 1141 1HD1 LEU 71 39.520 36.860 19.480 1.00 0.00 +ATOM 1142 2HD1 LEU 71 38.090 35.880 19.830 1.00 0.00 +ATOM 1143 3HD1 LEU 71 38.100 36.970 18.420 1.00 0.00 +ATOM 1144 CD2 LEU 71 38.370 39.290 19.720 1.00 0.00 +ATOM 1145 1HD2 LEU 71 39.460 39.290 19.710 1.00 0.00 +ATOM 1146 2HD2 LEU 71 38.000 39.420 18.710 1.00 0.00 +ATOM 1147 3HD2 LEU 71 38.030 40.120 20.340 1.00 0.00 +ATOM 1148 C LEU 71 35.900 37.200 22.670 1.00 0.00 +ATOM 1149 O LEU 71 35.430 38.240 23.130 1.00 0.00 +ATOM 1150 N ARG 72 36.500 36.280 23.440 1.00 0.00 +ATOM 1151 H ARG 72 36.870 35.460 23.000 1.00 0.00 +ATOM 1152 CA ARG 72 36.580 36.370 24.880 1.00 0.00 +ATOM 1153 HA ARG 72 36.580 37.430 25.170 1.00 0.00 +ATOM 1154 CB ARG 72 35.360 35.710 25.500 1.00 0.00 +ATOM 1155 HB1 ARG 72 35.430 34.630 25.380 1.00 0.00 +ATOM 1156 HB2 ARG 72 34.480 36.050 24.950 1.00 0.00 +ATOM 1157 CG ARG 72 35.150 36.030 26.980 1.00 0.00 +ATOM 1158 HG1 ARG 72 35.170 37.110 27.120 1.00 0.00 +ATOM 1159 HG2 ARG 72 35.970 35.590 27.550 1.00 0.00 +ATOM 1160 CD ARG 72 33.830 35.480 27.510 1.00 0.00 +ATOM 1161 HD1 ARG 72 33.820 35.610 28.590 1.00 0.00 +ATOM 1162 HD2 ARG 72 33.790 34.410 27.290 1.00 0.00 +ATOM 1163 NE ARG 72 32.670 36.150 26.930 1.00 0.00 +ATOM 1164 HE ARG 72 32.840 36.990 26.400 1.00 0.00 +ATOM 1165 CZ ARG 72 31.390 35.770 27.060 1.00 0.00 +ATOM 1166 NH1 ARG 72 31.030 34.700 27.770 1.00 0.00 +ATOM 1167 1HH1 ARG 72 31.740 34.160 28.250 1.00 0.00 +ATOM 1168 2HH1 ARG 72 30.060 34.440 27.850 1.00 0.00 +ATOM 1169 NH2 ARG 72 30.420 36.470 26.460 1.00 0.00 +ATOM 1170 1HH2 ARG 72 30.640 37.300 25.930 1.00 0.00 +ATOM 1171 2HH2 ARG 72 29.460 36.180 26.570 1.00 0.00 +ATOM 1172 C ARG 72 37.890 35.770 25.380 1.00 0.00 +ATOM 1173 O ARG 72 38.380 34.780 24.840 1.00 0.00 +ATOM 1174 N LEU 73 38.430 36.360 26.450 1.00 0.00 +ATOM 1175 H LEU 73 37.950 37.170 26.830 1.00 0.00 +ATOM 1176 CA LEU 73 39.520 35.830 27.240 1.00 0.00 +ATOM 1177 HA LEU 73 39.700 34.790 26.960 1.00 0.00 +ATOM 1178 CB LEU 73 40.820 36.600 27.010 1.00 0.00 +ATOM 1179 HB1 LEU 73 41.550 36.180 27.700 1.00 0.00 +ATOM 1180 HB2 LEU 73 40.690 37.650 27.280 1.00 0.00 +ATOM 1181 CG LEU 73 41.390 36.500 25.600 1.00 0.00 +ATOM 1182 HG LEU 73 41.150 35.520 25.180 1.00 0.00 +ATOM 1183 CD1 LEU 73 40.870 37.590 24.660 1.00 0.00 +ATOM 1184 1HD1 LEU 73 41.340 37.480 23.680 1.00 0.00 +ATOM 1185 2HD1 LEU 73 39.790 37.500 24.530 1.00 0.00 +ATOM 1186 3HD1 LEU 73 41.100 38.570 25.070 1.00 0.00 +ATOM 1187 CD2 LEU 73 42.910 36.630 25.640 1.00 0.00 +ATOM 1188 1HD2 LEU 73 43.320 36.590 24.620 1.00 0.00 +ATOM 1189 2HD2 LEU 73 43.190 37.580 26.090 1.00 0.00 +ATOM 1190 3HD2 LEU 73 43.340 35.810 26.210 1.00 0.00 +ATOM 1191 C LEU 73 39.090 35.870 28.700 1.00 0.00 +ATOM 1192 O LEU 73 38.510 36.860 29.150 1.00 0.00 +ATOM 1193 N ARG 74 39.360 34.790 29.430 1.00 0.00 +ATOM 1194 H ARG 74 39.940 34.080 29.010 1.00 0.00 +ATOM 1195 CA ARG 74 39.090 34.650 30.840 1.00 0.00 +ATOM 1196 HA ARG 74 38.830 35.630 31.260 1.00 0.00 +ATOM 1197 CB ARG 74 37.930 33.700 31.120 1.00 0.00 +ATOM 1198 HB1 ARG 74 37.770 33.680 32.200 1.00 0.00 +ATOM 1199 HB2 ARG 74 38.210 32.690 30.830 1.00 0.00 +ATOM 1200 CG ARG 74 36.600 34.070 30.470 1.00 0.00 +ATOM 1201 HG1 ARG 74 36.650 35.060 30.010 1.00 0.00 +ATOM 1202 HG2 ARG 74 35.840 34.130 31.250 1.00 0.00 +ATOM 1203 CD ARG 74 36.110 33.050 29.440 1.00 0.00 +ATOM 1204 HD1 ARG 74 35.130 33.380 29.090 1.00 0.00 +ATOM 1205 HD2 ARG 74 35.990 32.090 29.930 1.00 0.00 +ATOM 1206 NE ARG 74 37.020 32.910 28.300 1.00 0.00 +ATOM 1207 HE ARG 74 37.920 33.350 28.400 1.00 0.00 +ATOM 1208 CZ ARG 74 36.810 32.220 27.180 1.00 0.00 +ATOM 1209 NH1 ARG 74 35.680 31.560 26.930 1.00 0.00 +ATOM 1210 1HH1 ARG 74 34.950 31.550 27.620 1.00 0.00 +ATOM 1211 2HH1 ARG 74 35.610 30.970 26.110 1.00 0.00 +ATOM 1212 NH2 ARG 74 37.760 32.160 26.230 1.00 0.00 +ATOM 1213 1HH2 ARG 74 38.630 32.660 26.330 1.00 0.00 +ATOM 1214 2HH2 ARG 74 37.530 31.820 25.310 1.00 0.00 +ATOM 1215 C ARG 74 40.360 34.200 31.550 1.00 0.00 +ATOM 1216 O ARG 74 41.250 33.630 30.930 1.00 0.00 +ATOM 1217 N GLY 75 40.440 34.470 32.860 1.00 0.00 +ATOM 1218 H GLY 75 39.670 34.950 33.300 1.00 0.00 +ATOM 1219 CA GLY 75 41.520 33.980 33.700 1.00 0.00 +ATOM 1220 HA1 GLY 75 41.480 34.500 34.660 1.00 0.00 +ATOM 1221 HA2 GLY 75 42.480 34.210 33.240 1.00 0.00 +ATOM 1222 C GLY 75 41.460 32.480 33.970 1.00 0.00 +ATOM 1223 O GLY 75 40.660 31.750 33.390 1.00 0.00 +ATOM 1224 N GLY 76 42.330 32.020 34.870 1.00 0.00 +ATOM 1225 H GLY 76 42.940 32.690 35.320 1.00 0.00 +ATOM 1226 CA GLY 76 42.420 30.640 35.310 1.00 0.00 +ATOM 1227 HA1 GLY 76 42.880 30.040 34.520 1.00 0.00 +ATOM 1228 HA2 GLY 76 41.430 30.250 35.510 1.00 0.00 +ATOM 1229 C GLY 76 43.250 30.490 36.580 1.00 0.00 +ATOM 1230 OC1 GLY 76 42.830 31.030 37.630 1.00 0.00 +ATOM 1231 OC2 GLY 76 44.320 29.840 36.510 1.00 0.00 +TER +ENDMDL diff --git a/regtest/isdb/rt-jcoupling-string-type/MISTATUSjmi b/regtest/isdb/rt-jcoupling-string-type/MISTATUSjmi new file mode 100644 index 0000000000..d706ad2212 --- /dev/null +++ b/regtest/isdb/rt-jcoupling-string-type/MISTATUSjmi @@ -0,0 +1,2 @@ +#! FIELDS time sigmaMean_0_0 sigma_0 sigma_max_0 scale0_ offset0_ weight_0 + 0 10 1 10 1 0 0 diff --git a/regtest/isdb/rt-jcoupling-string-type/MISTATUSmij.reference b/regtest/isdb/rt-jcoupling-string-type/MISTATUSmij.reference new file mode 100644 index 0000000000..336c038d17 --- /dev/null +++ b/regtest/isdb/rt-jcoupling-string-type/MISTATUSmij.reference @@ -0,0 +1,2 @@ +#! FIELDS time sigmaMean_0_0 sigma_0 sigma_max_0 scale0_ offset0_ weight_0 + 0 10 1 10 1 0 1 diff --git a/regtest/isdb/rt-jcoupling-string-type/Makefile b/regtest/isdb/rt-jcoupling-string-type/Makefile new file mode 100644 index 0000000000..3703b27cea --- /dev/null +++ b/regtest/isdb/rt-jcoupling-string-type/Makefile @@ -0,0 +1 @@ +include ../../scripts/test.make diff --git a/regtest/isdb/rt-jcoupling-string-type/atom_forces.reference b/regtest/isdb/rt-jcoupling-string-type/atom_forces.reference new file mode 100644 index 0000000000..b2d503eb2e --- /dev/null +++ b/regtest/isdb/rt-jcoupling-string-type/atom_forces.reference @@ -0,0 +1,678 @@ +111 + -0.005 -0.001 0.006 +X 0.000 0.000 0.000 +X 0.000 0.000 0.000 +X 0.000 0.000 0.000 +X 0.000 0.000 0.000 +X 0.000 0.000 0.000 +X 0.000 0.000 0.000 +X 0.000 0.000 0.000 +X 0.000 0.000 0.000 +X 0.000 0.000 0.000 +X 0.000 0.000 0.000 +X 0.000 0.000 0.000 +X 0.000 0.000 0.000 +X 0.000 0.000 0.000 +X 0.000 0.000 0.000 +X 0.000 0.000 0.000 +X 0.000 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0.000 diff --git a/regtest/isdb/rt-jcoupling-string-type/config b/regtest/isdb/rt-jcoupling-string-type/config new file mode 100644 index 0000000000..ecf9c90e84 --- /dev/null +++ b/regtest/isdb/rt-jcoupling-string-type/config @@ -0,0 +1,4 @@ +plumed_needs="cregex" +type=driver +# this is to test a different name +arg="--plumed plumed.dat --trajectory-stride 2 --timestep 0.002 --mf_xtc trajectory.xtc --dump-forces atom_forces --dump-forces-fmt=%7.3f" diff --git a/regtest/isdb/rt-jcoupling-string-type/force.new.reference b/regtest/isdb/rt-jcoupling-string-type/force.new.reference new file mode 100644 index 0000000000..f92d50d51c --- /dev/null +++ b/regtest/isdb/rt-jcoupling-string-type/force.new.reference @@ -0,0 +1,811 @@ +#! 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14 0.5847 + 0.020000 15 1.5042 + 0.020000 16 -0.5834 + 0.020000 17 -0.5847 + 0.020000 18 0.0158 + 0.020000 19 -0.0203 + 0.020000 20 0.0241 + 0.020000 21 -0.0158 + 0.020000 22 0.0203 + 0.020000 23 -0.0241 + 0.020000 24 -0.0081 + 0.020000 25 -0.0055 + 0.020000 26 -0.0030 + 0.020000 27 0.0081 + 0.020000 28 0.0055 + 0.020000 29 0.0030 + 0.020000 30 0.0038 + 0.020000 31 0.0346 + 0.020000 32 -0.0174 + 0.020000 33 -0.0038 + 0.020000 34 -0.0346 + 0.020000 35 0.0174 + 0.020000 36 0.0259 + 0.020000 37 0.0175 + 0.020000 38 0.0038 + 0.020000 39 -0.0259 + 0.020000 40 -0.0175 + 0.020000 41 -0.0038 + 0.020000 42 -0.0255 + 0.020000 43 -0.0172 + 0.020000 44 -0.0055 + 0.020000 45 0.0255 + 0.020000 46 0.0172 + 0.020000 47 0.0055 + 0.020000 48 0.0268 + 0.020000 49 0.0181 + 0.020000 50 0.0079 + 0.020000 51 -0.0268 + 0.020000 52 -0.0181 + 0.020000 53 -0.0079 + 0.020000 54 0.1246 + 0.020000 55 0.0675 + 0.020000 56 -0.1249 + 0.020000 57 -0.1246 + 0.020000 58 -0.0675 + 0.020000 59 0.1249 + 0.020000 60 -0.1107 + 0.020000 61 -0.0458 + 0.020000 62 0.1101 + 0.020000 63 0.1107 + 0.020000 64 0.0458 + 0.020000 65 -0.1101 + 0.020000 66 0.1465 + 0.020000 67 0.0455 + 0.020000 68 -0.1450 + 0.020000 69 -0.1465 + 0.020000 70 -0.0455 + 0.020000 71 0.1450 + 0.020000 72 -0.0142 + 0.020000 73 0.0083 + 0.020000 74 0.0104 + 0.020000 75 0.0142 + 0.020000 76 -0.0083 + 0.020000 77 -0.0104 + 0.020000 78 0.0026 + 0.020000 79 -0.0009 + 0.020000 80 0.0028 + 0.020000 81 -0.0026 + 0.020000 82 0.0009 + 0.020000 83 -0.0028 + 0.020000 84 0.0066 + 0.020000 85 -0.0059 + 0.020000 86 -0.0194 + 0.020000 87 -0.0066 + 0.020000 88 0.0059 + 0.020000 89 0.0194 + 0.020000 90 0.0451 + 0.020000 91 -0.0307 + 0.020000 92 0.0070 + 0.020000 93 -0.0451 + 0.020000 94 0.0307 + 0.020000 95 -0.0070 + 0.020000 96 -0.0358 + 0.020000 97 0.0183 + 0.020000 98 -0.0031 + 0.020000 99 0.0358 + 0.020000 100 -0.0183 + 0.020000 101 0.0031 + 0.020000 102 0.0576 + 0.020000 103 -0.0225 + 0.020000 104 0.0022 + 0.020000 105 -0.0576 + 0.020000 106 0.0225 + 0.020000 107 -0.0022 + 0.020000 108 -0.0140 + 0.020000 109 -0.0545 + 0.020000 110 0.0120 + 0.020000 111 0.0140 + 0.020000 112 0.0545 + 0.020000 113 -0.0120 + 0.020000 114 0.0015 + 0.020000 115 -0.0003 + 0.020000 116 0.0101 + 0.020000 117 -0.0015 + 0.020000 118 0.0003 + 0.020000 119 -0.0101 + 0.020000 120 0.0085 + 0.020000 121 0.0506 + 0.020000 122 -0.0395 + 0.020000 123 -0.0085 + 0.020000 124 -0.0506 + 0.020000 125 0.0395 + 0.020000 126 -0.0358 + 0.020000 127 0.0089 + 0.020000 128 0.0241 + 0.020000 129 0.0089 + 0.020000 130 0.0242 + 0.020000 131 -0.0239 + 0.020000 132 0.0241 + 0.020000 133 -0.0239 + 0.020000 134 0.0116 diff --git a/regtest/isdb/rt-jcoupling-string-type/minew.reference b/regtest/isdb/rt-jcoupling-string-type/minew.reference new file mode 100644 index 0000000000..c84f23763f --- /dev/null +++ b/regtest/isdb/rt-jcoupling-string-type/minew.reference @@ -0,0 +1,7 @@ +#! FIELDS time jmi.score jmi.acceptSigma jmi.sigmaMean jmi.sigma + 0.000000 80.0035 1.0000 10.0000 1.0000 + 0.004000 80.0370 1.0000 10.0000 1.0000 + 0.008000 80.0103 1.0000 10.0000 1.0000 + 0.012000 80.0047 1.0000 10.0000 1.0000 + 0.016000 80.0165 1.0000 10.0000 1.0000 + 0.020000 80.0767 1.0000 10.0000 1.0000 diff --git a/regtest/isdb/rt-jcoupling-string-type/miorig.reference b/regtest/isdb/rt-jcoupling-string-type/miorig.reference new file mode 100644 index 0000000000..4532fb7811 --- /dev/null +++ b/regtest/isdb/rt-jcoupling-string-type/miorig.reference @@ -0,0 +1,7 @@ +#! FIELDS time mij.bias mij.neff mij.acceptSigma mij.sigmaMean mij.sigma + 0.000000 80.3436 1.0000 1.0000 10.0000 1.0000 + 0.004000 80.3436 1.0000 1.0000 10.0000 1.0000 + 0.008000 80.3436 1.0000 1.0000 10.0000 1.0000 + 0.012000 80.3436 1.0000 1.0000 10.0000 1.0000 + 0.016000 80.3436 1.0000 1.0000 10.0000 1.0000 + 0.020000 80.3436 1.0000 1.0000 10.0000 1.0000 diff --git a/regtest/isdb/rt-jcoupling-string-type/peptide.pdb b/regtest/isdb/rt-jcoupling-string-type/peptide.pdb new file mode 100644 index 0000000000..441ab3ba78 --- /dev/null +++ b/regtest/isdb/rt-jcoupling-string-type/peptide.pdb @@ -0,0 +1,112 @@ +ATOM 1 N GLU 1 -0.130 2.450 -0.110 1.00 0.00 +ATOM 2 H1 GLU 1 -0.830 2.960 0.400 1.00 0.00 +ATOM 3 H2 GLU 1 0.640 2.250 0.490 1.00 0.00 +ATOM 4 H3 GLU 1 0.180 3.000 -0.890 1.00 0.00 +ATOM 5 CA GLU 1 -0.700 1.210 -0.600 1.00 0.00 +ATOM 6 HA GLU 1 -1.470 1.450 -1.190 1.00 0.00 +ATOM 7 CB GLU 1 0.360 0.470 -1.360 1.00 0.00 +ATOM 8 HB1 GLU 1 0.280 -0.480 -1.060 1.00 0.00 +ATOM 9 HB2 GLU 1 1.230 0.850 -1.020 1.00 0.00 +ATOM 10 CG GLU 1 0.470 0.440 -2.890 1.00 0.00 +ATOM 11 HG1 GLU 1 0.510 1.380 -3.230 1.00 0.00 +ATOM 12 HG2 GLU 1 -0.330 -0.020 -3.260 1.00 0.00 +ATOM 13 CD GLU 1 1.690 -0.270 -3.390 1.00 0.00 +ATOM 14 OE1 GLU 1 2.820 0.140 -3.020 1.00 0.00 +ATOM 15 OE2 GLU 1 1.480 -1.280 -4.120 1.00 0.00 +ATOM 16 C GLU 1 -1.220 0.340 0.540 1.00 0.00 +ATOM 17 O GLU 1 -0.520 -0.530 1.050 1.00 0.00 +ATOM 18 N GLY 2 -2.430 0.560 0.960 1.00 0.00 +ATOM 19 H GLY 2 -2.970 1.280 0.530 1.00 0.00 +ATOM 20 CA GLY 2 -3.000 -0.220 2.060 1.00 0.00 +ATOM 21 HA1 GLY 2 -2.420 -0.100 2.870 1.00 0.00 +ATOM 22 HA2 GLY 2 -3.000 -1.180 1.790 1.00 0.00 +ATOM 23 C GLY 2 -4.420 0.220 2.360 1.00 0.00 +ATOM 24 O GLY 2 -4.960 1.130 1.730 1.00 0.00 +ATOM 25 N ALA 3 -5.050 -0.390 3.320 1.00 0.00 +ATOM 26 H ALA 3 -4.590 -1.130 3.820 1.00 0.00 +ATOM 27 CA ALA 3 -6.420 -0.030 3.670 1.00 0.00 +ATOM 28 HA ALA 3 -6.410 0.930 3.960 1.00 0.00 +ATOM 29 CB ALA 3 -7.300 -0.190 2.470 1.00 0.00 +ATOM 30 HB1 ALA 3 -8.240 0.060 2.710 1.00 0.00 +ATOM 31 HB2 ALA 3 -6.970 0.410 1.740 1.00 0.00 +ATOM 32 HB3 ALA 3 -7.270 -1.140 2.160 1.00 0.00 +ATOM 33 C ALA 3 -6.940 -0.890 4.810 1.00 0.00 +ATOM 34 O ALA 3 -6.240 -1.760 5.330 1.00 0.00 +ATOM 35 N ALA 4 -8.150 -0.670 5.230 1.00 0.00 +ATOM 36 H ALA 4 -8.700 0.040 4.800 1.00 0.00 +ATOM 37 CA ALA 4 -8.720 -1.460 6.330 1.00 0.00 +ATOM 38 HA ALA 4 -8.730 -2.410 6.040 1.00 0.00 +ATOM 39 CB ALA 4 -7.860 -1.300 7.550 1.00 0.00 +ATOM 40 HB1 ALA 4 -8.250 -1.830 8.300 1.00 0.00 +ATOM 41 HB2 ALA 4 -6.940 -1.620 7.350 1.00 0.00 +ATOM 42 HB3 ALA 4 -7.830 -0.330 7.810 1.00 0.00 +ATOM 43 C ALA 4 -10.140 -1.020 6.630 1.00 0.00 +ATOM 44 O ALA 4 -10.680 -0.110 6.000 1.00 0.00 +ATOM 45 N TRP 5 -10.770 -1.630 7.590 1.00 0.00 +ATOM 46 H TRP 5 -10.310 -2.360 8.090 1.00 0.00 +ATOM 47 CA TRP 5 -12.150 -1.270 7.940 1.00 0.00 +ATOM 48 HA TRP 5 -12.140 -0.310 8.230 1.00 0.00 +ATOM 49 CB TRP 5 -13.020 -1.440 6.740 1.00 0.00 +ATOM 50 HB1 TRP 5 -13.680 -2.160 6.960 1.00 0.00 +ATOM 51 HB2 TRP 5 -12.430 -1.760 6.000 1.00 0.00 +ATOM 52 CG TRP 5 -13.820 -0.330 6.170 1.00 0.00 +ATOM 53 CD1 TRP 5 -13.700 0.200 4.910 1.00 0.00 +ATOM 54 HD1 TRP 5 -13.070 -0.120 4.210 1.00 0.00 +ATOM 55 NE1 TRP 5 -14.580 1.240 4.750 1.00 0.00 +ATOM 56 HE1 TRP 5 -14.690 1.790 3.930 1.00 0.00 +ATOM 57 CE2 TRP 5 -15.290 1.390 5.940 1.00 0.00 +ATOM 58 CZ2 TRP 5 -16.300 2.260 6.300 1.00 0.00 +ATOM 59 HZ2 TRP 5 -16.650 2.930 5.640 1.00 0.00 +ATOM 60 CH2 TRP 5 -16.810 2.190 7.580 1.00 0.00 +ATOM 61 HH2 TRP 5 -17.530 2.820 7.860 1.00 0.00 +ATOM 62 CZ3 TRP 5 -16.330 1.230 8.490 1.00 0.00 +ATOM 63 HZ3 TRP 5 -16.720 1.190 9.410 1.00 0.00 +ATOM 64 CE3 TRP 5 -15.340 0.350 8.140 1.00 0.00 +ATOM 65 HE3 TRP 5 -15.010 -0.330 8.800 1.00 0.00 +ATOM 66 CD2 TRP 5 -14.820 0.420 6.850 1.00 0.00 +ATOM 67 C TRP 5 -12.660 -2.130 9.090 1.00 0.00 +ATOM 68 O TRP 5 -11.960 -2.990 9.610 1.00 0.00 +ATOM 69 N ALA 6 -13.870 -1.910 9.500 1.00 0.00 +ATOM 70 H ALA 6 -14.420 -1.200 9.060 1.00 0.00 +ATOM 71 CA ALA 6 -14.440 -2.690 10.600 1.00 0.00 +ATOM 72 HA ALA 6 -14.450 -3.650 10.320 1.00 0.00 +ATOM 73 CB ALA 6 -13.590 -2.520 11.820 1.00 0.00 +ATOM 74 HB1 ALA 6 -13.970 -3.050 12.580 1.00 0.00 +ATOM 75 HB2 ALA 6 -12.660 -2.850 11.620 1.00 0.00 +ATOM 76 HB3 ALA 6 -13.550 -1.560 12.070 1.00 0.00 +ATOM 77 C ALA 6 -15.870 -2.260 10.900 1.00 0.00 +ATOM 78 O ALA 6 -16.410 -1.360 10.260 1.00 0.00 +ATOM 79 N ALA 7 -16.500 -2.870 11.860 1.00 0.00 +ATOM 80 H ALA 7 -16.030 -3.590 12.370 1.00 0.00 +ATOM 81 CA ALA 7 -17.870 -2.510 12.210 1.00 0.00 +ATOM 82 HA ALA 7 -17.870 -1.550 12.490 1.00 0.00 +ATOM 83 CB ALA 7 -18.750 -2.690 11.010 1.00 0.00 +ATOM 84 HB1 ALA 7 -19.690 -2.450 11.240 1.00 0.00 +ATOM 85 HB2 ALA 7 -18.420 -2.100 10.270 1.00 0.00 +ATOM 86 HB3 ALA 7 -18.710 -3.640 10.710 1.00 0.00 +ATOM 87 C ALA 7 -18.380 -3.370 13.360 1.00 0.00 +ATOM 88 O ALA 7 -17.680 -4.230 13.880 1.00 0.00 +ATOM 89 N SER 8 -19.600 -3.150 13.770 1.00 0.00 +ATOM 90 H SER 8 -20.150 -2.450 13.330 1.00 0.00 +ATOM 91 CA SER 8 -20.170 -3.930 14.880 1.00 0.00 +ATOM 92 HA SER 8 -20.160 -4.890 14.600 1.00 0.00 +ATOM 93 CB SER 8 -19.310 -3.750 16.100 1.00 0.00 +ATOM 94 HB1 SER 8 -18.910 -2.830 16.060 1.00 0.00 +ATOM 95 HB2 SER 8 -18.580 -4.430 16.060 1.00 0.00 +ATOM 96 OG SER 8 -19.870 -3.860 17.400 1.00 0.00 +ATOM 97 HG SER 8 -19.150 -3.710 18.080 1.00 0.00 +ATOM 98 C SER 8 -21.590 -3.500 15.170 1.00 0.00 +ATOM 99 O SER 8 -22.140 -2.600 14.530 1.00 0.00 +ATOM 100 N SER 9 -22.220 -4.110 16.130 1.00 0.00 +ATOM 101 H SER 9 -21.750 -4.830 16.640 1.00 0.00 +ATOM 102 CA SER 9 -23.600 -3.750 16.480 1.00 0.00 +ATOM 103 HA SER 9 -23.600 -2.790 16.760 1.00 0.00 +ATOM 104 CB SER 9 -24.470 -3.940 15.270 1.00 0.00 +ATOM 105 HB1 SER 9 -24.090 -4.690 14.730 1.00 0.00 +ATOM 106 HB2 SER 9 -24.440 -3.100 14.740 1.00 0.00 +ATOM 107 OG SER 9 -25.850 -4.240 15.420 1.00 0.00 +ATOM 108 HG SER 9 -26.270 -4.330 14.510 1.00 0.00 +ATOM 109 C SER 9 -24.110 -4.600 17.630 1.00 0.00 +ATOM 110 OXT SER 9 -25.040 -4.470 17.970 1.00 0.00 +ATOM 111 O SER 9 -23.400 -5.460 18.160 1.00 0.00 +END diff --git a/regtest/isdb/rt-jcoupling-string-type/plumed.dat b/regtest/isdb/rt-jcoupling-string-type/plumed.dat new file mode 100644 index 0000000000..5a3fecce57 --- /dev/null +++ b/regtest/isdb/rt-jcoupling-string-type/plumed.dat @@ -0,0 +1,54 @@ +MOLINFO MOLTYPE=protein STRUCTURE=peptide.pdb +WHOLEMOLECULES ENTITY0=1-111 + +# xxAAWAASS +JCOUPLING ... + NOPBC + TYPE=CUSTOM + ATOMS1=@psi-2 + ATOMS2=@psi-3 + ATOMS3=@psi-4 + ATOMS4=@psi-5 + ATOMS5=@psi-6 + ATOMS6=@psi-7 + ATOMS7=@psi-8 + LABEL=jhahn +... JCOUPLING + +METAINFERENCE ... +ARG=jhahn.* +PARAMETERS=6.5,1,2,3,2,2,2 +NOISETYPE=OUTLIERS +SIGMA_MEAN0=10 +DSIGMA=0 +LABEL=mij +TEMP=300 +... + +JCOUPLING ... + NOPBC + TYPE=HAHN + ATOMS1=@psi-2 COUPLING1=6.5 + ATOMS2=@psi-3 COUPLING2=1 + ATOMS3=@psi-4 COUPLING3=2 + ATOMS4=@psi-5 COUPLING4=3 + ATOMS5=@psi-6 COUPLING5=2 + ATOMS6=@psi-7 COUPLING6=2 + ATOMS7=@psi-8 COUPLING7=2 + LABEL=jmi + DOSCORE + NOISETYPE=OUTLIERS + SIGMA_MEAN0=10 + DSIGMA=0 + TEMP=300 + RESTART=YES +... 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zopWIE?>(>~z`+i{K_>7nGy~ch2W8|CJf}?&L6sTZl=B3Pu4I%~M2Gjb(t4;p`qD1^ zL&BKo?+oL4E}a;=zGoTby#d z6+AV%s!*=c=NXfcseO$-fg|$YCv4-l;ATAk6K5-$-fAr81bC Date: Sat, 2 Nov 2024 08:39:28 +0000 Subject: [PATCH 4/4] Fix for output of ADAPTIVE_PATH (#1148) This change ensures that when you output the newly fitted path that you get by running the ADAPTIVE_PATH method the output pdb file contains the same residue numbers, beta and occupancy values as the input path. The change to mapping/rt-adapt-alt-rmsd comes about becuase the residue numbers in the output are now correctly coppied from the input Co-authored-by: Gareth Aneurin Tribello --- .../rt-adapt-alt-rmsd/out-path.pdb.reference | 1008 ++++++++--------- src/mapping/AdaptivePath.cpp | 10 +- 2 files changed, 511 insertions(+), 507 deletions(-) diff --git a/regtest/mapping/rt-adapt-alt-rmsd/out-path.pdb.reference b/regtest/mapping/rt-adapt-alt-rmsd/out-path.pdb.reference index 4e66adb7d2..d4fb65c278 100644 --- a/regtest/mapping/rt-adapt-alt-rmsd/out-path.pdb.reference +++ b/regtest/mapping/rt-adapt-alt-rmsd/out-path.pdb.reference @@ -1,589 +1,589 @@ # PATH AT STEP 20000 TIME 100.000000 ATOM 1 X RES 1 -3.056 0.015 1.034 1.00 1.00 -ATOM 5 X RES 5 -1.704 -0.423 0.668 1.00 1.00 -ATOM 6 X RES 6 -1.062 -1.169 1.390 1.00 1.00 -ATOM 7 X RES 7 -1.198 0.061 -0.482 1.00 1.00 -ATOM 8 X RES 8 -1.730 0.681 -1.022 1.00 1.00 -ATOM 9 X RES 9 0.112 -0.299 -0.990 1.00 1.00 -ATOM 10 X RES 10 0.320 -1.331 -0.752 1.00 1.00 -ATOM 11 X RES 11 0.124 -0.145 -2.520 1.00 1.00 -ATOM 15 X RES 15 1.236 0.519 -0.348 1.00 1.00 -ATOM 16 X RES 16 1.838 1.389 -0.968 1.00 1.00 -ATOM 17 X RES 17 1.538 0.239 0.930 1.00 1.00 -ATOM 18 X RES 18 0.988 -0.441 1.402 1.00 1.00 -ATOM 19 X RES 19 2.592 0.907 1.664 1.00 1.00 +ATOM 5 X RES 1 -1.704 -0.423 0.668 1.00 1.00 +ATOM 6 X RES 1 -1.062 -1.169 1.390 1.00 1.00 +ATOM 7 X RES 1 -1.198 0.061 -0.482 1.00 1.00 +ATOM 8 X RES 1 -1.730 0.681 -1.022 1.00 1.00 +ATOM 9 X RES 1 0.112 -0.299 -0.990 1.00 1.00 +ATOM 10 X RES 1 0.320 -1.331 -0.752 1.00 1.00 +ATOM 11 X RES 1 0.124 -0.145 -2.520 1.00 1.00 +ATOM 15 X RES 1 1.236 0.519 -0.348 1.00 1.00 +ATOM 16 X RES 1 1.838 1.389 -0.968 1.00 1.00 +ATOM 17 X RES 1 1.538 0.239 0.930 1.00 1.00 +ATOM 18 X RES 1 0.988 -0.441 1.402 1.00 1.00 +ATOM 19 X RES 1 2.592 0.907 1.664 1.00 1.00 END ATOM 1 X RES 1 -3.041 -0.012 1.053 1.00 1.00 -ATOM 5 X RES 5 -1.686 -0.442 0.673 1.00 1.00 -ATOM 6 X RES 6 -1.045 -1.210 1.373 1.00 1.00 -ATOM 7 X RES 7 -1.187 0.063 -0.465 1.00 1.00 -ATOM 8 X RES 8 -1.721 0.698 -0.992 1.00 1.00 -ATOM 9 X RES 9 0.113 -0.293 -0.998 1.00 1.00 -ATOM 10 X RES 10 0.311 -1.332 -0.788 1.00 1.00 -ATOM 11 X RES 11 0.102 -0.103 -2.524 1.00 1.00 -ATOM 15 X RES 15 1.253 0.498 -0.359 1.00 1.00 -ATOM 16 X RES 16 1.914 1.295 -0.996 1.00 1.00 -ATOM 17 X RES 17 1.507 0.271 0.938 1.00 1.00 -ATOM 18 X RES 18 0.916 -0.357 1.417 1.00 1.00 -ATOM 19 X RES 19 2.564 0.924 1.669 1.00 1.00 +ATOM 5 X RES 1 -1.686 -0.442 0.673 1.00 1.00 +ATOM 6 X RES 1 -1.045 -1.210 1.373 1.00 1.00 +ATOM 7 X RES 1 -1.187 0.063 -0.465 1.00 1.00 +ATOM 8 X RES 1 -1.721 0.698 -0.992 1.00 1.00 +ATOM 9 X RES 1 0.113 -0.293 -0.998 1.00 1.00 +ATOM 10 X RES 1 0.311 -1.332 -0.788 1.00 1.00 +ATOM 11 X RES 1 0.102 -0.103 -2.524 1.00 1.00 +ATOM 15 X RES 1 1.253 0.498 -0.359 1.00 1.00 +ATOM 16 X RES 1 1.914 1.295 -0.996 1.00 1.00 +ATOM 17 X RES 1 1.507 0.271 0.938 1.00 1.00 +ATOM 18 X RES 1 0.916 -0.357 1.417 1.00 1.00 +ATOM 19 X RES 1 2.564 0.924 1.669 1.00 1.00 END ATOM 1 X RES 1 -3.026 -0.038 1.071 1.00 1.00 -ATOM 5 X RES 5 -1.672 -0.463 0.677 1.00 1.00 -ATOM 6 X RES 6 -1.031 -1.254 1.354 1.00 1.00 -ATOM 7 X RES 7 -1.176 0.065 -0.449 1.00 1.00 -ATOM 8 X RES 8 -1.710 0.718 -0.960 1.00 1.00 -ATOM 9 X RES 9 0.112 -0.289 -1.005 1.00 1.00 -ATOM 10 X RES 10 0.299 -1.334 -0.823 1.00 1.00 -ATOM 11 X RES 11 0.080 -0.060 -2.527 1.00 1.00 -ATOM 15 X RES 15 1.270 0.476 -0.368 1.00 1.00 -ATOM 16 X RES 16 1.988 1.199 -1.020 1.00 1.00 -ATOM 17 X RES 17 1.477 0.307 0.944 1.00 1.00 -ATOM 18 X RES 18 0.849 -0.271 1.432 1.00 1.00 -ATOM 19 X RES 19 2.539 0.944 1.674 1.00 1.00 +ATOM 5 X RES 1 -1.672 -0.463 0.677 1.00 1.00 +ATOM 6 X RES 1 -1.031 -1.254 1.354 1.00 1.00 +ATOM 7 X RES 1 -1.176 0.065 -0.449 1.00 1.00 +ATOM 8 X RES 1 -1.710 0.718 -0.960 1.00 1.00 +ATOM 9 X RES 1 0.112 -0.289 -1.005 1.00 1.00 +ATOM 10 X RES 1 0.299 -1.334 -0.823 1.00 1.00 +ATOM 11 X RES 1 0.080 -0.060 -2.527 1.00 1.00 +ATOM 15 X RES 1 1.270 0.476 -0.368 1.00 1.00 +ATOM 16 X RES 1 1.988 1.199 -1.020 1.00 1.00 +ATOM 17 X RES 1 1.477 0.307 0.944 1.00 1.00 +ATOM 18 X RES 1 0.849 -0.271 1.432 1.00 1.00 +ATOM 19 X RES 1 2.539 0.944 1.674 1.00 1.00 END ATOM 1 X RES 1 -3.010 -0.065 1.089 1.00 1.00 -ATOM 5 X RES 5 -1.658 -0.485 0.680 1.00 1.00 -ATOM 6 X RES 6 -1.018 -1.299 1.334 1.00 1.00 -ATOM 7 X RES 7 -1.166 0.067 -0.433 1.00 1.00 -ATOM 8 X RES 8 -1.699 0.738 -0.926 1.00 1.00 -ATOM 9 X RES 9 0.112 -0.285 -1.013 1.00 1.00 -ATOM 10 X RES 10 0.287 -1.336 -0.857 1.00 1.00 -ATOM 11 X RES 11 0.058 -0.016 -2.529 1.00 1.00 -ATOM 15 X RES 15 1.287 0.453 -0.377 1.00 1.00 -ATOM 16 X RES 16 2.062 1.101 -1.042 1.00 1.00 -ATOM 17 X RES 17 1.447 0.343 0.951 1.00 1.00 -ATOM 18 X RES 18 0.783 -0.184 1.445 1.00 1.00 -ATOM 19 X RES 19 2.516 0.966 1.678 1.00 1.00 +ATOM 5 X RES 1 -1.658 -0.485 0.680 1.00 1.00 +ATOM 6 X RES 1 -1.018 -1.299 1.334 1.00 1.00 +ATOM 7 X RES 1 -1.166 0.067 -0.433 1.00 1.00 +ATOM 8 X RES 1 -1.699 0.738 -0.926 1.00 1.00 +ATOM 9 X RES 1 0.112 -0.285 -1.013 1.00 1.00 +ATOM 10 X RES 1 0.287 -1.336 -0.857 1.00 1.00 +ATOM 11 X RES 1 0.058 -0.016 -2.529 1.00 1.00 +ATOM 15 X RES 1 1.287 0.453 -0.377 1.00 1.00 +ATOM 16 X RES 1 2.062 1.101 -1.042 1.00 1.00 +ATOM 17 X RES 1 1.447 0.343 0.951 1.00 1.00 +ATOM 18 X RES 1 0.783 -0.184 1.445 1.00 1.00 +ATOM 19 X RES 1 2.516 0.966 1.678 1.00 1.00 END ATOM 1 X RES 1 -3.013 0.019 1.060 1.00 1.00 -ATOM 5 X RES 5 -1.669 -0.444 0.677 1.00 1.00 -ATOM 6 X RES 6 -1.058 -1.267 1.351 1.00 1.00 -ATOM 7 X RES 7 -1.149 0.076 -0.438 1.00 1.00 -ATOM 8 X RES 8 -1.655 0.757 -0.948 1.00 1.00 -ATOM 9 X RES 9 0.119 -0.327 -1.005 1.00 1.00 -ATOM 10 X RES 10 0.256 -1.380 -0.829 1.00 1.00 -ATOM 11 X RES 11 0.076 -0.081 -2.527 1.00 1.00 -ATOM 15 X RES 15 1.319 0.385 -0.380 1.00 1.00 -ATOM 16 X RES 16 2.169 0.908 -1.063 1.00 1.00 -ATOM 17 X RES 17 1.413 0.392 0.958 1.00 1.00 -ATOM 18 X RES 18 0.700 -0.049 1.468 1.00 1.00 -ATOM 19 X RES 19 2.493 1.010 1.676 1.00 1.00 +ATOM 5 X RES 1 -1.669 -0.444 0.677 1.00 1.00 +ATOM 6 X RES 1 -1.058 -1.267 1.351 1.00 1.00 +ATOM 7 X RES 1 -1.149 0.076 -0.438 1.00 1.00 +ATOM 8 X RES 1 -1.655 0.757 -0.948 1.00 1.00 +ATOM 9 X RES 1 0.119 -0.327 -1.005 1.00 1.00 +ATOM 10 X RES 1 0.256 -1.380 -0.829 1.00 1.00 +ATOM 11 X RES 1 0.076 -0.081 -2.527 1.00 1.00 +ATOM 15 X RES 1 1.319 0.385 -0.380 1.00 1.00 +ATOM 16 X RES 1 2.169 0.908 -1.063 1.00 1.00 +ATOM 17 X RES 1 1.413 0.392 0.958 1.00 1.00 +ATOM 18 X RES 1 0.700 -0.049 1.468 1.00 1.00 +ATOM 19 X RES 1 2.493 1.010 1.676 1.00 1.00 END ATOM 1 X RES 1 -2.919 -0.033 1.281 1.00 1.00 -ATOM 5 X RES 5 -1.603 -0.482 0.798 1.00 1.00 -ATOM 6 X RES 6 -0.939 -1.307 1.419 1.00 1.00 -ATOM 7 X RES 7 -1.169 0.054 -0.345 1.00 1.00 -ATOM 8 X RES 8 -1.711 0.738 -0.810 1.00 1.00 -ATOM 9 X RES 9 0.053 -0.340 -1.010 1.00 1.00 -ATOM 10 X RES 10 0.204 -1.393 -0.855 1.00 1.00 -ATOM 11 X RES 11 -0.110 -0.081 -2.523 1.00 1.00 -ATOM 15 X RES 15 1.298 0.372 -0.479 1.00 1.00 -ATOM 16 X RES 16 2.142 0.816 -1.227 1.00 1.00 -ATOM 17 X RES 17 1.442 0.471 0.851 1.00 1.00 -ATOM 18 X RES 18 0.744 0.079 1.417 1.00 1.00 -ATOM 19 X RES 19 2.567 1.105 1.483 1.00 1.00 +ATOM 5 X RES 1 -1.603 -0.482 0.798 1.00 1.00 +ATOM 6 X RES 1 -0.939 -1.307 1.419 1.00 1.00 +ATOM 7 X RES 1 -1.169 0.054 -0.345 1.00 1.00 +ATOM 8 X RES 1 -1.711 0.738 -0.810 1.00 1.00 +ATOM 9 X RES 1 0.053 -0.340 -1.010 1.00 1.00 +ATOM 10 X RES 1 0.204 -1.393 -0.855 1.00 1.00 +ATOM 11 X RES 1 -0.110 -0.081 -2.523 1.00 1.00 +ATOM 15 X RES 1 1.298 0.372 -0.479 1.00 1.00 +ATOM 16 X RES 1 2.142 0.816 -1.227 1.00 1.00 +ATOM 17 X RES 1 1.442 0.471 0.851 1.00 1.00 +ATOM 18 X RES 1 0.744 0.079 1.417 1.00 1.00 +ATOM 19 X RES 1 2.567 1.105 1.483 1.00 1.00 END ATOM 1 X RES 1 -2.926 -0.048 1.251 1.00 1.00 -ATOM 5 X RES 5 -1.611 -0.502 0.771 1.00 1.00 -ATOM 6 X RES 6 -0.966 -1.351 1.377 1.00 1.00 -ATOM 7 X RES 7 -1.154 0.059 -0.349 1.00 1.00 -ATOM 8 X RES 8 -1.680 0.765 -0.802 1.00 1.00 -ATOM 9 X RES 9 0.068 -0.336 -1.014 1.00 1.00 -ATOM 10 X RES 10 0.200 -1.395 -0.886 1.00 1.00 -ATOM 11 X RES 11 -0.079 -0.035 -2.520 1.00 1.00 -ATOM 15 X RES 15 1.321 0.341 -0.457 1.00 1.00 -ATOM 16 X RES 16 2.225 0.701 -1.183 1.00 1.00 -ATOM 17 X RES 17 1.407 0.506 0.870 1.00 1.00 -ATOM 18 X RES 18 0.667 0.171 1.420 1.00 1.00 -ATOM 19 X RES 19 2.530 1.124 1.523 1.00 1.00 +ATOM 5 X RES 1 -1.611 -0.502 0.771 1.00 1.00 +ATOM 6 X RES 1 -0.966 -1.351 1.377 1.00 1.00 +ATOM 7 X RES 1 -1.154 0.059 -0.349 1.00 1.00 +ATOM 8 X RES 1 -1.680 0.765 -0.802 1.00 1.00 +ATOM 9 X RES 1 0.068 -0.336 -1.014 1.00 1.00 +ATOM 10 X RES 1 0.200 -1.395 -0.886 1.00 1.00 +ATOM 11 X RES 1 -0.079 -0.035 -2.520 1.00 1.00 +ATOM 15 X RES 1 1.321 0.341 -0.457 1.00 1.00 +ATOM 16 X RES 1 2.225 0.701 -1.183 1.00 1.00 +ATOM 17 X RES 1 1.407 0.506 0.870 1.00 1.00 +ATOM 18 X RES 1 0.667 0.171 1.420 1.00 1.00 +ATOM 19 X RES 1 2.530 1.124 1.523 1.00 1.00 END ATOM 1 X RES 1 -2.915 -0.064 1.267 1.00 1.00 -ATOM 5 X RES 5 -1.607 -0.522 0.769 1.00 1.00 -ATOM 6 X RES 6 -0.975 -1.395 1.350 1.00 1.00 -ATOM 7 X RES 7 -1.146 0.062 -0.337 1.00 1.00 -ATOM 8 X RES 8 -1.666 0.785 -0.768 1.00 1.00 -ATOM 9 X RES 9 0.067 -0.333 -1.017 1.00 1.00 -ATOM 10 X RES 10 0.188 -1.396 -0.917 1.00 1.00 -ATOM 11 X RES 11 -0.083 0.009 -2.514 1.00 1.00 -ATOM 15 X RES 15 1.335 0.309 -0.454 1.00 1.00 -ATOM 16 X RES 16 2.280 0.584 -1.166 1.00 1.00 -ATOM 17 X RES 17 1.388 0.545 0.864 1.00 1.00 -ATOM 18 X RES 18 0.617 0.270 1.405 1.00 1.00 -ATOM 19 X RES 19 2.517 1.147 1.519 1.00 1.00 +ATOM 5 X RES 1 -1.607 -0.522 0.769 1.00 1.00 +ATOM 6 X RES 1 -0.975 -1.395 1.350 1.00 1.00 +ATOM 7 X RES 1 -1.146 0.062 -0.337 1.00 1.00 +ATOM 8 X RES 1 -1.666 0.785 -0.768 1.00 1.00 +ATOM 9 X RES 1 0.067 -0.333 -1.017 1.00 1.00 +ATOM 10 X RES 1 0.188 -1.396 -0.917 1.00 1.00 +ATOM 11 X RES 1 -0.083 0.009 -2.514 1.00 1.00 +ATOM 15 X RES 1 1.335 0.309 -0.454 1.00 1.00 +ATOM 16 X RES 1 2.280 0.584 -1.166 1.00 1.00 +ATOM 17 X RES 1 1.388 0.545 0.864 1.00 1.00 +ATOM 18 X RES 1 0.617 0.270 1.405 1.00 1.00 +ATOM 19 X RES 1 2.517 1.147 1.519 1.00 1.00 END ATOM 1 X RES 1 -2.929 1.052 0.638 1.00 1.00 -ATOM 5 X RES 5 -1.746 0.173 0.614 1.00 1.00 -ATOM 6 X RES 6 -1.418 -0.471 1.599 1.00 1.00 -ATOM 7 X RES 7 -1.056 0.121 -0.525 1.00 1.00 -ATOM 8 X RES 8 -1.335 0.675 -1.296 1.00 1.00 -ATOM 9 X RES 9 0.066 -0.762 -0.754 1.00 1.00 -ATOM 10 X RES 10 -0.101 -1.680 -0.220 1.00 1.00 -ATOM 11 X RES 11 0.137 -1.075 -2.263 1.00 1.00 -ATOM 15 X RES 15 1.405 -0.213 -0.267 1.00 1.00 -ATOM 16 X RES 16 2.456 -0.544 -0.780 1.00 1.00 -ATOM 17 X RES 17 1.400 0.641 0.765 1.00 1.00 -ATOM 18 X RES 18 0.533 0.846 1.178 1.00 1.00 -ATOM 19 X RES 19 2.589 1.236 1.311 1.00 1.00 +ATOM 5 X RES 1 -1.746 0.173 0.614 1.00 1.00 +ATOM 6 X RES 1 -1.418 -0.471 1.599 1.00 1.00 +ATOM 7 X RES 1 -1.056 0.121 -0.525 1.00 1.00 +ATOM 8 X RES 1 -1.335 0.675 -1.296 1.00 1.00 +ATOM 9 X RES 1 0.066 -0.762 -0.754 1.00 1.00 +ATOM 10 X RES 1 -0.101 -1.680 -0.220 1.00 1.00 +ATOM 11 X RES 1 0.137 -1.075 -2.263 1.00 1.00 +ATOM 15 X RES 1 1.405 -0.213 -0.267 1.00 1.00 +ATOM 16 X RES 1 2.456 -0.544 -0.780 1.00 1.00 +ATOM 17 X RES 1 1.400 0.641 0.765 1.00 1.00 +ATOM 18 X RES 1 0.533 0.846 1.178 1.00 1.00 +ATOM 19 X RES 1 2.589 1.236 1.311 1.00 1.00 END ATOM 1 X RES 1 -2.929 1.032 0.671 1.00 1.00 -ATOM 5 X RES 5 -1.748 0.147 0.625 1.00 1.00 -ATOM 6 X RES 6 -1.431 -0.526 1.592 1.00 1.00 -ATOM 7 X RES 7 -1.053 0.125 -0.511 1.00 1.00 -ATOM 8 X RES 8 -1.326 0.703 -1.266 1.00 1.00 -ATOM 9 X RES 9 0.065 -0.757 -0.761 1.00 1.00 -ATOM 10 X RES 10 -0.110 -1.689 -0.254 1.00 1.00 -ATOM 11 X RES 11 0.146 -1.027 -2.277 1.00 1.00 -ATOM 15 X RES 15 1.406 -0.235 -0.250 1.00 1.00 -ATOM 16 X RES 16 2.461 -0.633 -0.702 1.00 1.00 -ATOM 17 X RES 17 1.400 0.675 0.734 1.00 1.00 -ATOM 18 X RES 18 0.528 0.933 1.108 1.00 1.00 -ATOM 19 X RES 19 2.591 1.254 1.292 1.00 1.00 +ATOM 5 X RES 1 -1.748 0.147 0.625 1.00 1.00 +ATOM 6 X RES 1 -1.431 -0.526 1.592 1.00 1.00 +ATOM 7 X RES 1 -1.053 0.125 -0.511 1.00 1.00 +ATOM 8 X RES 1 -1.326 0.703 -1.266 1.00 1.00 +ATOM 9 X RES 1 0.065 -0.757 -0.761 1.00 1.00 +ATOM 10 X RES 1 -0.110 -1.689 -0.254 1.00 1.00 +ATOM 11 X RES 1 0.146 -1.027 -2.277 1.00 1.00 +ATOM 15 X RES 1 1.406 -0.235 -0.250 1.00 1.00 +ATOM 16 X RES 1 2.461 -0.633 -0.702 1.00 1.00 +ATOM 17 X RES 1 1.400 0.675 0.734 1.00 1.00 +ATOM 18 X RES 1 0.528 0.933 1.108 1.00 1.00 +ATOM 19 X RES 1 2.591 1.254 1.292 1.00 1.00 END ATOM 1 X RES 1 -2.929 1.011 0.701 1.00 1.00 -ATOM 5 X RES 5 -1.752 0.122 0.635 1.00 1.00 -ATOM 6 X RES 6 -1.444 -0.577 1.585 1.00 1.00 -ATOM 7 X RES 7 -1.049 0.128 -0.499 1.00 1.00 -ATOM 8 X RES 8 -1.318 0.728 -1.239 1.00 1.00 -ATOM 9 X RES 9 0.064 -0.753 -0.766 1.00 1.00 -ATOM 10 X RES 10 -0.121 -1.697 -0.286 1.00 1.00 -ATOM 11 X RES 11 0.155 -0.980 -2.289 1.00 1.00 -ATOM 15 X RES 15 1.406 -0.258 -0.230 1.00 1.00 -ATOM 16 X RES 16 2.461 -0.721 -0.619 1.00 1.00 -ATOM 17 X RES 17 1.402 0.707 0.701 1.00 1.00 -ATOM 18 X RES 18 0.530 1.020 1.031 1.00 1.00 -ATOM 19 X RES 19 2.595 1.269 1.274 1.00 1.00 +ATOM 5 X RES 1 -1.752 0.122 0.635 1.00 1.00 +ATOM 6 X RES 1 -1.444 -0.577 1.585 1.00 1.00 +ATOM 7 X RES 1 -1.049 0.128 -0.499 1.00 1.00 +ATOM 8 X RES 1 -1.318 0.728 -1.239 1.00 1.00 +ATOM 9 X RES 1 0.064 -0.753 -0.766 1.00 1.00 +ATOM 10 X RES 1 -0.121 -1.697 -0.286 1.00 1.00 +ATOM 11 X RES 1 0.155 -0.980 -2.289 1.00 1.00 +ATOM 15 X RES 1 1.406 -0.258 -0.230 1.00 1.00 +ATOM 16 X RES 1 2.461 -0.721 -0.619 1.00 1.00 +ATOM 17 X RES 1 1.402 0.707 0.701 1.00 1.00 +ATOM 18 X RES 1 0.530 1.020 1.031 1.00 1.00 +ATOM 19 X RES 1 2.595 1.269 1.274 1.00 1.00 END ATOM 1 X RES 1 -2.945 0.973 0.692 1.00 1.00 -ATOM 5 X RES 5 -1.764 0.088 0.623 1.00 1.00 -ATOM 6 X RES 6 -1.471 -0.632 1.561 1.00 1.00 -ATOM 7 X RES 7 -1.042 0.124 -0.500 1.00 1.00 -ATOM 8 X RES 8 -1.301 0.740 -1.231 1.00 1.00 -ATOM 9 X RES 9 0.077 -0.750 -0.766 1.00 1.00 -ATOM 10 X RES 10 -0.116 -1.707 -0.315 1.00 1.00 -ATOM 11 X RES 11 0.202 -0.936 -2.293 1.00 1.00 -ATOM 15 X RES 15 1.409 -0.271 -0.190 1.00 1.00 -ATOM 16 X RES 16 2.466 -0.790 -0.501 1.00 1.00 -ATOM 17 X RES 17 1.393 0.749 0.683 1.00 1.00 -ATOM 18 X RES 18 0.518 1.111 0.952 1.00 1.00 -ATOM 19 X RES 19 2.575 1.301 1.286 1.00 1.00 +ATOM 5 X RES 1 -1.764 0.088 0.623 1.00 1.00 +ATOM 6 X RES 1 -1.471 -0.632 1.561 1.00 1.00 +ATOM 7 X RES 1 -1.042 0.124 -0.500 1.00 1.00 +ATOM 8 X RES 1 -1.301 0.740 -1.231 1.00 1.00 +ATOM 9 X RES 1 0.077 -0.750 -0.766 1.00 1.00 +ATOM 10 X RES 1 -0.116 -1.707 -0.315 1.00 1.00 +ATOM 11 X RES 1 0.202 -0.936 -2.293 1.00 1.00 +ATOM 15 X RES 1 1.409 -0.271 -0.190 1.00 1.00 +ATOM 16 X RES 1 2.466 -0.790 -0.501 1.00 1.00 +ATOM 17 X RES 1 1.393 0.749 0.683 1.00 1.00 +ATOM 18 X RES 1 0.518 1.111 0.952 1.00 1.00 +ATOM 19 X RES 1 2.575 1.301 1.286 1.00 1.00 END ATOM 1 X RES 1 -2.883 1.323 0.223 1.00 1.00 -ATOM 5 X RES 5 -1.801 0.335 0.417 1.00 1.00 -ATOM 6 X RES 6 -1.677 -0.252 1.477 1.00 1.00 -ATOM 7 X RES 7 -0.974 0.128 -0.613 1.00 1.00 -ATOM 8 X RES 8 -1.097 0.640 -1.452 1.00 1.00 -ATOM 9 X RES 9 0.066 -0.875 -0.618 1.00 1.00 -ATOM 10 X RES 10 -0.272 -1.731 -0.063 1.00 1.00 -ATOM 11 X RES 11 0.329 -1.300 -2.077 1.00 1.00 -ATOM 15 X RES 15 1.377 -0.440 0.039 1.00 1.00 -ATOM 16 X RES 16 2.372 -1.143 0.011 1.00 1.00 -ATOM 17 X RES 17 1.408 0.754 0.656 1.00 1.00 -ATOM 18 X RES 18 0.574 1.276 0.699 1.00 1.00 -ATOM 19 X RES 19 2.577 1.287 1.301 1.00 1.00 +ATOM 5 X RES 1 -1.801 0.335 0.417 1.00 1.00 +ATOM 6 X RES 1 -1.677 -0.252 1.477 1.00 1.00 +ATOM 7 X RES 1 -0.974 0.128 -0.613 1.00 1.00 +ATOM 8 X RES 1 -1.097 0.640 -1.452 1.00 1.00 +ATOM 9 X RES 1 0.066 -0.875 -0.618 1.00 1.00 +ATOM 10 X RES 1 -0.272 -1.731 -0.063 1.00 1.00 +ATOM 11 X RES 1 0.329 -1.300 -2.077 1.00 1.00 +ATOM 15 X RES 1 1.377 -0.440 0.039 1.00 1.00 +ATOM 16 X RES 1 2.372 -1.143 0.011 1.00 1.00 +ATOM 17 X RES 1 1.408 0.754 0.656 1.00 1.00 +ATOM 18 X RES 1 0.574 1.276 0.699 1.00 1.00 +ATOM 19 X RES 1 2.577 1.287 1.301 1.00 1.00 END ATOM 1 X RES 1 -2.908 1.264 0.271 1.00 1.00 -ATOM 5 X RES 5 -1.806 0.294 0.446 1.00 1.00 -ATOM 6 X RES 6 -1.662 -0.304 1.497 1.00 1.00 -ATOM 7 X RES 7 -0.985 0.111 -0.594 1.00 1.00 -ATOM 8 X RES 8 -1.129 0.627 -1.428 1.00 1.00 -ATOM 9 X RES 9 0.076 -0.873 -0.617 1.00 1.00 -ATOM 10 X RES 10 -0.247 -1.747 -0.083 1.00 1.00 -ATOM 11 X RES 11 0.351 -1.261 -2.081 1.00 1.00 -ATOM 15 X RES 15 1.374 -0.432 0.056 1.00 1.00 -ATOM 16 X RES 16 2.349 -1.162 0.100 1.00 1.00 -ATOM 17 X RES 17 1.416 0.797 0.599 1.00 1.00 -ATOM 18 X RES 18 0.596 1.344 0.580 1.00 1.00 -ATOM 19 X RES 19 2.575 1.342 1.254 1.00 1.00 +ATOM 5 X RES 1 -1.806 0.294 0.446 1.00 1.00 +ATOM 6 X RES 1 -1.662 -0.304 1.497 1.00 1.00 +ATOM 7 X RES 1 -0.985 0.111 -0.594 1.00 1.00 +ATOM 8 X RES 1 -1.129 0.627 -1.428 1.00 1.00 +ATOM 9 X RES 1 0.076 -0.873 -0.617 1.00 1.00 +ATOM 10 X RES 1 -0.247 -1.747 -0.083 1.00 1.00 +ATOM 11 X RES 1 0.351 -1.261 -2.081 1.00 1.00 +ATOM 15 X RES 1 1.374 -0.432 0.056 1.00 1.00 +ATOM 16 X RES 1 2.349 -1.162 0.100 1.00 1.00 +ATOM 17 X RES 1 1.416 0.797 0.599 1.00 1.00 +ATOM 18 X RES 1 0.596 1.344 0.580 1.00 1.00 +ATOM 19 X RES 1 2.575 1.342 1.254 1.00 1.00 END ATOM 1 X RES 1 -3.146 0.303 -0.398 1.00 1.00 -ATOM 5 X RES 5 -1.870 -0.206 0.150 1.00 1.00 -ATOM 6 X RES 6 -1.764 -0.488 1.330 1.00 1.00 -ATOM 7 X RES 7 -0.851 -0.338 -0.706 1.00 1.00 -ATOM 8 X RES 8 -0.977 -0.096 -1.658 1.00 1.00 -ATOM 9 X RES 9 0.430 -0.914 -0.352 1.00 1.00 -ATOM 10 X RES 10 0.270 -1.727 0.330 1.00 1.00 -ATOM 11 X RES 11 1.092 -1.463 -1.626 1.00 1.00 -ATOM 15 X RES 15 1.388 0.037 0.360 1.00 1.00 -ATOM 16 X RES 16 2.455 -0.350 0.798 1.00 1.00 -ATOM 17 X RES 17 1.018 1.324 0.487 1.00 1.00 -ATOM 18 X RES 18 0.129 1.591 0.156 1.00 1.00 -ATOM 19 X RES 19 1.825 2.327 1.128 1.00 1.00 +ATOM 5 X RES 1 -1.870 -0.206 0.150 1.00 1.00 +ATOM 6 X RES 1 -1.764 -0.488 1.330 1.00 1.00 +ATOM 7 X RES 1 -0.851 -0.338 -0.706 1.00 1.00 +ATOM 8 X RES 1 -0.977 -0.096 -1.658 1.00 1.00 +ATOM 9 X RES 1 0.430 -0.914 -0.352 1.00 1.00 +ATOM 10 X RES 1 0.270 -1.727 0.330 1.00 1.00 +ATOM 11 X RES 1 1.092 -1.463 -1.626 1.00 1.00 +ATOM 15 X RES 1 1.388 0.037 0.360 1.00 1.00 +ATOM 16 X RES 1 2.455 -0.350 0.798 1.00 1.00 +ATOM 17 X RES 1 1.018 1.324 0.487 1.00 1.00 +ATOM 18 X RES 1 0.129 1.591 0.156 1.00 1.00 +ATOM 19 X RES 1 1.825 2.327 1.128 1.00 1.00 END ATOM 1 X RES 1 -3.154 0.283 -0.368 1.00 1.00 -ATOM 5 X RES 5 -1.869 -0.214 0.168 1.00 1.00 -ATOM 6 X RES 6 -1.746 -0.489 1.347 1.00 1.00 -ATOM 7 X RES 7 -0.861 -0.342 -0.700 1.00 1.00 -ATOM 8 X RES 8 -1.004 -0.115 -1.651 1.00 1.00 -ATOM 9 X RES 9 0.431 -0.908 -0.364 1.00 1.00 -ATOM 10 X RES 10 0.281 -1.747 0.287 1.00 1.00 -ATOM 11 X RES 11 1.109 -1.394 -1.654 1.00 1.00 -ATOM 15 X RES 15 1.371 0.031 0.384 1.00 1.00 -ATOM 16 X RES 16 2.392 -0.382 0.901 1.00 1.00 -ATOM 17 X RES 17 1.038 1.333 0.456 1.00 1.00 -ATOM 18 X RES 18 0.180 1.619 0.065 1.00 1.00 -ATOM 19 X RES 19 1.833 2.325 1.128 1.00 1.00 +ATOM 5 X RES 1 -1.869 -0.214 0.168 1.00 1.00 +ATOM 6 X RES 1 -1.746 -0.489 1.347 1.00 1.00 +ATOM 7 X RES 1 -0.861 -0.342 -0.700 1.00 1.00 +ATOM 8 X RES 1 -1.004 -0.115 -1.651 1.00 1.00 +ATOM 9 X RES 1 0.431 -0.908 -0.364 1.00 1.00 +ATOM 10 X RES 1 0.281 -1.747 0.287 1.00 1.00 +ATOM 11 X RES 1 1.109 -1.394 -1.654 1.00 1.00 +ATOM 15 X RES 1 1.371 0.031 0.384 1.00 1.00 +ATOM 16 X RES 1 2.392 -0.382 0.901 1.00 1.00 +ATOM 17 X RES 1 1.038 1.333 0.456 1.00 1.00 +ATOM 18 X RES 1 0.180 1.619 0.065 1.00 1.00 +ATOM 19 X RES 1 1.833 2.325 1.128 1.00 1.00 END ATOM 1 X RES 1 -3.155 0.224 0.428 1.00 1.00 -ATOM 5 X RES 5 -1.787 -0.331 0.504 1.00 1.00 -ATOM 6 X RES 6 -1.399 -0.903 1.503 1.00 1.00 -ATOM 7 X RES 7 -1.009 -0.167 -0.569 1.00 1.00 -ATOM 8 X RES 8 -1.372 0.294 -1.359 1.00 1.00 -ATOM 9 X RES 9 0.318 -0.734 -0.710 1.00 1.00 -ATOM 10 X RES 10 0.294 -1.747 -0.358 1.00 1.00 -ATOM 11 X RES 11 0.701 -0.725 -2.198 1.00 1.00 -ATOM 15 X RES 15 1.409 -0.044 0.101 1.00 1.00 -ATOM 16 X RES 16 2.477 -0.594 0.313 1.00 1.00 -ATOM 17 X RES 17 1.158 1.192 0.573 1.00 1.00 -ATOM 18 X RES 18 0.267 1.582 0.420 1.00 1.00 -ATOM 19 X RES 19 2.098 1.952 1.353 1.00 1.00 +ATOM 5 X RES 1 -1.787 -0.331 0.504 1.00 1.00 +ATOM 6 X RES 1 -1.399 -0.903 1.503 1.00 1.00 +ATOM 7 X RES 1 -1.009 -0.167 -0.569 1.00 1.00 +ATOM 8 X RES 1 -1.372 0.294 -1.359 1.00 1.00 +ATOM 9 X RES 1 0.318 -0.734 -0.710 1.00 1.00 +ATOM 10 X RES 1 0.294 -1.747 -0.358 1.00 1.00 +ATOM 11 X RES 1 0.701 -0.725 -2.198 1.00 1.00 +ATOM 15 X RES 1 1.409 -0.044 0.101 1.00 1.00 +ATOM 16 X RES 1 2.477 -0.594 0.313 1.00 1.00 +ATOM 17 X RES 1 1.158 1.192 0.573 1.00 1.00 +ATOM 18 X RES 1 0.267 1.582 0.420 1.00 1.00 +ATOM 19 X RES 1 2.098 1.952 1.353 1.00 1.00 END ATOM 1 X RES 1 -3.157 0.173 0.471 1.00 1.00 -ATOM 5 X RES 5 -1.773 -0.338 0.534 1.00 1.00 -ATOM 6 X RES 6 -1.349 -0.856 1.545 1.00 1.00 -ATOM 7 X RES 7 -1.021 -0.191 -0.561 1.00 1.00 -ATOM 8 X RES 8 -1.425 0.224 -1.352 1.00 1.00 -ATOM 9 X RES 9 0.316 -0.725 -0.726 1.00 1.00 -ATOM 10 X RES 10 0.308 -1.750 -0.412 1.00 1.00 -ATOM 11 X RES 11 0.691 -0.643 -2.214 1.00 1.00 -ATOM 15 X RES 15 1.397 -0.049 0.112 1.00 1.00 -ATOM 16 X RES 16 2.444 -0.628 0.371 1.00 1.00 -ATOM 17 X RES 17 1.166 1.207 0.545 1.00 1.00 -ATOM 18 X RES 18 0.296 1.625 0.344 1.00 1.00 -ATOM 19 X RES 19 2.107 1.950 1.344 1.00 1.00 +ATOM 5 X RES 1 -1.773 -0.338 0.534 1.00 1.00 +ATOM 6 X RES 1 -1.349 -0.856 1.545 1.00 1.00 +ATOM 7 X RES 1 -1.021 -0.191 -0.561 1.00 1.00 +ATOM 8 X RES 1 -1.425 0.224 -1.352 1.00 1.00 +ATOM 9 X RES 1 0.316 -0.725 -0.726 1.00 1.00 +ATOM 10 X RES 1 0.308 -1.750 -0.412 1.00 1.00 +ATOM 11 X RES 1 0.691 -0.643 -2.214 1.00 1.00 +ATOM 15 X RES 1 1.397 -0.049 0.112 1.00 1.00 +ATOM 16 X RES 1 2.444 -0.628 0.371 1.00 1.00 +ATOM 17 X RES 1 1.166 1.207 0.545 1.00 1.00 +ATOM 18 X RES 1 0.296 1.625 0.344 1.00 1.00 +ATOM 19 X RES 1 2.107 1.950 1.344 1.00 1.00 END ATOM 1 X RES 1 -3.159 0.125 0.508 1.00 1.00 -ATOM 5 X RES 5 -1.758 -0.337 0.557 1.00 1.00 -ATOM 6 X RES 6 -1.299 -0.793 1.578 1.00 1.00 -ATOM 7 X RES 7 -1.037 -0.208 -0.560 1.00 1.00 -ATOM 8 X RES 8 -1.481 0.149 -1.357 1.00 1.00 -ATOM 9 X RES 9 0.310 -0.706 -0.749 1.00 1.00 -ATOM 10 X RES 10 0.319 -1.744 -0.489 1.00 1.00 -ATOM 11 X RES 11 0.682 -0.543 -2.232 1.00 1.00 -ATOM 15 X RES 15 1.387 -0.057 0.120 1.00 1.00 -ATOM 16 X RES 16 2.414 -0.663 0.406 1.00 1.00 -ATOM 17 X RES 17 1.177 1.206 0.541 1.00 1.00 -ATOM 18 X RES 18 0.325 1.649 0.309 1.00 1.00 -ATOM 19 X RES 19 2.119 1.923 1.369 1.00 1.00 +ATOM 5 X RES 1 -1.758 -0.337 0.557 1.00 1.00 +ATOM 6 X RES 1 -1.299 -0.793 1.578 1.00 1.00 +ATOM 7 X RES 1 -1.037 -0.208 -0.560 1.00 1.00 +ATOM 8 X RES 1 -1.481 0.149 -1.357 1.00 1.00 +ATOM 9 X RES 1 0.310 -0.706 -0.749 1.00 1.00 +ATOM 10 X RES 1 0.319 -1.744 -0.489 1.00 1.00 +ATOM 11 X RES 1 0.682 -0.543 -2.232 1.00 1.00 +ATOM 15 X RES 1 1.387 -0.057 0.120 1.00 1.00 +ATOM 16 X RES 1 2.414 -0.663 0.406 1.00 1.00 +ATOM 17 X RES 1 1.177 1.206 0.541 1.00 1.00 +ATOM 18 X RES 1 0.325 1.649 0.309 1.00 1.00 +ATOM 19 X RES 1 2.119 1.923 1.369 1.00 1.00 END ATOM 1 X RES 1 -3.162 0.064 0.555 1.00 1.00 -ATOM 5 X RES 5 -1.740 -0.339 0.588 1.00 1.00 -ATOM 6 X RES 6 -1.241 -0.734 1.613 1.00 1.00 -ATOM 7 X RES 7 -1.058 -0.226 -0.554 1.00 1.00 -ATOM 8 X RES 8 -1.544 0.072 -1.349 1.00 1.00 -ATOM 9 X RES 9 0.299 -0.681 -0.779 1.00 1.00 -ATOM 10 X RES 10 0.331 -1.729 -0.577 1.00 1.00 -ATOM 11 X RES 11 0.650 -0.435 -2.255 1.00 1.00 -ATOM 15 X RES 15 1.381 -0.061 0.111 1.00 1.00 -ATOM 16 X RES 16 2.387 -0.697 0.409 1.00 1.00 -ATOM 17 X RES 17 1.198 1.206 0.538 1.00 1.00 -ATOM 18 X RES 18 0.358 1.675 0.308 1.00 1.00 -ATOM 19 X RES 19 2.140 1.884 1.393 1.00 1.00 +ATOM 5 X RES 1 -1.740 -0.339 0.588 1.00 1.00 +ATOM 6 X RES 1 -1.241 -0.734 1.613 1.00 1.00 +ATOM 7 X RES 1 -1.058 -0.226 -0.554 1.00 1.00 +ATOM 8 X RES 1 -1.544 0.072 -1.349 1.00 1.00 +ATOM 9 X RES 1 0.299 -0.681 -0.779 1.00 1.00 +ATOM 10 X RES 1 0.331 -1.729 -0.577 1.00 1.00 +ATOM 11 X RES 1 0.650 -0.435 -2.255 1.00 1.00 +ATOM 15 X RES 1 1.381 -0.061 0.111 1.00 1.00 +ATOM 16 X RES 1 2.387 -0.697 0.409 1.00 1.00 +ATOM 17 X RES 1 1.198 1.206 0.538 1.00 1.00 +ATOM 18 X RES 1 0.358 1.675 0.308 1.00 1.00 +ATOM 19 X RES 1 2.140 1.884 1.393 1.00 1.00 END ATOM 1 X RES 1 -3.175 0.025 0.556 1.00 1.00 -ATOM 5 X RES 5 -1.738 -0.323 0.596 1.00 1.00 -ATOM 6 X RES 6 -1.218 -0.639 1.634 1.00 1.00 -ATOM 7 X RES 7 -1.069 -0.251 -0.561 1.00 1.00 -ATOM 8 X RES 8 -1.582 -0.025 -1.361 1.00 1.00 -ATOM 9 X RES 9 0.300 -0.668 -0.792 1.00 1.00 -ATOM 10 X RES 10 0.342 -1.723 -0.641 1.00 1.00 -ATOM 11 X RES 11 0.653 -0.355 -2.254 1.00 1.00 -ATOM 15 X RES 15 1.375 -0.070 0.120 1.00 1.00 -ATOM 16 X RES 16 2.355 -0.730 0.451 1.00 1.00 -ATOM 17 X RES 17 1.216 1.207 0.539 1.00 1.00 -ATOM 18 X RES 18 0.391 1.694 0.298 1.00 1.00 -ATOM 19 X RES 19 2.149 1.859 1.416 1.00 1.00 +ATOM 5 X RES 1 -1.738 -0.323 0.596 1.00 1.00 +ATOM 6 X RES 1 -1.218 -0.639 1.634 1.00 1.00 +ATOM 7 X RES 1 -1.069 -0.251 -0.561 1.00 1.00 +ATOM 8 X RES 1 -1.582 -0.025 -1.361 1.00 1.00 +ATOM 9 X RES 1 0.300 -0.668 -0.792 1.00 1.00 +ATOM 10 X RES 1 0.342 -1.723 -0.641 1.00 1.00 +ATOM 11 X RES 1 0.653 -0.355 -2.254 1.00 1.00 +ATOM 15 X RES 1 1.375 -0.070 0.120 1.00 1.00 +ATOM 16 X RES 1 2.355 -0.730 0.451 1.00 1.00 +ATOM 17 X RES 1 1.216 1.207 0.539 1.00 1.00 +ATOM 18 X RES 1 0.391 1.694 0.298 1.00 1.00 +ATOM 19 X RES 1 2.149 1.859 1.416 1.00 1.00 END ATOM 1 X RES 1 -3.022 -0.724 0.888 1.00 1.00 -ATOM 5 X RES 5 -1.560 -0.744 0.706 1.00 1.00 -ATOM 6 X RES 6 -0.837 -1.086 1.602 1.00 1.00 -ATOM 7 X RES 7 -1.100 -0.345 -0.486 1.00 1.00 -ATOM 8 X RES 8 -1.768 -0.123 -1.160 1.00 1.00 -ATOM 9 X RES 9 0.268 -0.397 -0.965 1.00 1.00 -ATOM 10 X RES 10 0.510 -1.424 -1.117 1.00 1.00 -ATOM 11 X RES 11 0.328 0.333 -2.314 1.00 1.00 -ATOM 15 X RES 15 1.369 0.148 -0.046 1.00 1.00 -ATOM 16 X RES 16 2.463 -0.406 0.023 1.00 1.00 -ATOM 17 X RES 17 1.101 1.265 0.668 1.00 1.00 -ATOM 18 X RES 18 0.194 1.654 0.629 1.00 1.00 -ATOM 19 X RES 19 2.053 1.848 1.573 1.00 1.00 +ATOM 5 X RES 1 -1.560 -0.744 0.706 1.00 1.00 +ATOM 6 X RES 1 -0.837 -1.086 1.602 1.00 1.00 +ATOM 7 X RES 1 -1.100 -0.345 -0.486 1.00 1.00 +ATOM 8 X RES 1 -1.768 -0.123 -1.160 1.00 1.00 +ATOM 9 X RES 1 0.268 -0.397 -0.965 1.00 1.00 +ATOM 10 X RES 1 0.510 -1.424 -1.117 1.00 1.00 +ATOM 11 X RES 1 0.328 0.333 -2.314 1.00 1.00 +ATOM 15 X RES 1 1.369 0.148 -0.046 1.00 1.00 +ATOM 16 X RES 1 2.463 -0.406 0.023 1.00 1.00 +ATOM 17 X RES 1 1.101 1.265 0.668 1.00 1.00 +ATOM 18 X RES 1 0.194 1.654 0.629 1.00 1.00 +ATOM 19 X RES 1 2.053 1.848 1.573 1.00 1.00 END ATOM 1 X RES 1 -3.097 0.538 0.805 1.00 1.00 -ATOM 5 X RES 5 -1.673 0.172 0.816 1.00 1.00 -ATOM 6 X RES 6 -1.006 0.312 1.802 1.00 1.00 -ATOM 7 X RES 7 -1.179 -0.322 -0.330 1.00 1.00 -ATOM 8 X RES 8 -1.824 -0.439 -1.052 1.00 1.00 -ATOM 9 X RES 9 0.130 -0.901 -0.568 1.00 1.00 -ATOM 10 X RES 10 0.125 -1.881 -0.137 1.00 1.00 -ATOM 11 X RES 11 0.320 -1.032 -2.083 1.00 1.00 -ATOM 15 X RES 15 1.356 -0.216 0.044 1.00 1.00 -ATOM 16 X RES 16 2.258 -0.875 0.561 1.00 1.00 -ATOM 17 X RES 17 1.419 1.134 -0.018 1.00 1.00 -ATOM 18 X RES 18 0.656 1.638 -0.386 1.00 1.00 -ATOM 19 X RES 19 2.515 1.872 0.545 1.00 1.00 +ATOM 5 X RES 1 -1.673 0.172 0.816 1.00 1.00 +ATOM 6 X RES 1 -1.006 0.312 1.802 1.00 1.00 +ATOM 7 X RES 1 -1.179 -0.322 -0.330 1.00 1.00 +ATOM 8 X RES 1 -1.824 -0.439 -1.052 1.00 1.00 +ATOM 9 X RES 1 0.130 -0.901 -0.568 1.00 1.00 +ATOM 10 X RES 1 0.125 -1.881 -0.137 1.00 1.00 +ATOM 11 X RES 1 0.320 -1.032 -2.083 1.00 1.00 +ATOM 15 X RES 1 1.356 -0.216 0.044 1.00 1.00 +ATOM 16 X RES 1 2.258 -0.875 0.561 1.00 1.00 +ATOM 17 X RES 1 1.419 1.134 -0.018 1.00 1.00 +ATOM 18 X RES 1 0.656 1.638 -0.386 1.00 1.00 +ATOM 19 X RES 1 2.515 1.872 0.545 1.00 1.00 END ATOM 1 X RES 1 -3.117 0.498 0.827 1.00 1.00 -ATOM 5 X RES 5 -1.677 0.180 0.811 1.00 1.00 -ATOM 6 X RES 6 -0.993 0.408 1.767 1.00 1.00 -ATOM 7 X RES 7 -1.197 -0.356 -0.316 1.00 1.00 -ATOM 8 X RES 8 -1.851 -0.526 -1.017 1.00 1.00 -ATOM 9 X RES 9 0.126 -0.891 -0.579 1.00 1.00 -ATOM 10 X RES 10 0.138 -1.886 -0.190 1.00 1.00 -ATOM 11 X RES 11 0.319 -0.952 -2.097 1.00 1.00 -ATOM 15 X RES 15 1.345 -0.216 0.059 1.00 1.00 -ATOM 16 X RES 16 2.225 -0.885 0.598 1.00 1.00 -ATOM 17 X RES 17 1.440 1.127 -0.015 1.00 1.00 -ATOM 18 X RES 18 0.695 1.643 -0.412 1.00 1.00 -ATOM 19 X RES 19 2.546 1.854 0.563 1.00 1.00 +ATOM 5 X RES 1 -1.677 0.180 0.811 1.00 1.00 +ATOM 6 X RES 1 -0.993 0.408 1.767 1.00 1.00 +ATOM 7 X RES 1 -1.197 -0.356 -0.316 1.00 1.00 +ATOM 8 X RES 1 -1.851 -0.526 -1.017 1.00 1.00 +ATOM 9 X RES 1 0.126 -0.891 -0.579 1.00 1.00 +ATOM 10 X RES 1 0.138 -1.886 -0.190 1.00 1.00 +ATOM 11 X RES 1 0.319 -0.952 -2.097 1.00 1.00 +ATOM 15 X RES 1 1.345 -0.216 0.059 1.00 1.00 +ATOM 16 X RES 1 2.225 -0.885 0.598 1.00 1.00 +ATOM 17 X RES 1 1.440 1.127 -0.015 1.00 1.00 +ATOM 18 X RES 1 0.695 1.643 -0.412 1.00 1.00 +ATOM 19 X RES 1 2.546 1.854 0.563 1.00 1.00 END ATOM 1 X RES 1 -3.079 0.520 1.003 1.00 1.00 -ATOM 5 X RES 5 -1.616 0.371 0.878 1.00 1.00 -ATOM 6 X RES 6 -0.878 1.074 1.512 1.00 1.00 -ATOM 7 X RES 7 -1.181 -0.560 0.023 1.00 1.00 -ATOM 8 X RES 8 -1.873 -1.078 -0.428 1.00 1.00 -ATOM 9 X RES 9 0.173 -1.029 -0.222 1.00 1.00 -ATOM 10 X RES 10 0.348 -1.818 0.475 1.00 1.00 -ATOM 11 X RES 11 0.224 -1.607 -1.638 1.00 1.00 -ATOM 15 X RES 15 1.358 -0.075 -0.019 1.00 1.00 -ATOM 16 X RES 16 2.333 -0.416 0.650 1.00 1.00 -ATOM 17 X RES 17 1.315 1.129 -0.623 1.00 1.00 -ATOM 18 X RES 18 0.496 1.393 -1.117 1.00 1.00 -ATOM 19 X RES 19 2.381 2.095 -0.495 1.00 1.00 +ATOM 5 X RES 1 -1.616 0.371 0.878 1.00 1.00 +ATOM 6 X RES 1 -0.878 1.074 1.512 1.00 1.00 +ATOM 7 X RES 1 -1.181 -0.560 0.023 1.00 1.00 +ATOM 8 X RES 1 -1.873 -1.078 -0.428 1.00 1.00 +ATOM 9 X RES 1 0.173 -1.029 -0.222 1.00 1.00 +ATOM 10 X RES 1 0.348 -1.818 0.475 1.00 1.00 +ATOM 11 X RES 1 0.224 -1.607 -1.638 1.00 1.00 +ATOM 15 X RES 1 1.358 -0.075 -0.019 1.00 1.00 +ATOM 16 X RES 1 2.333 -0.416 0.650 1.00 1.00 +ATOM 17 X RES 1 1.315 1.129 -0.623 1.00 1.00 +ATOM 18 X RES 1 0.496 1.393 -1.117 1.00 1.00 +ATOM 19 X RES 1 2.381 2.095 -0.495 1.00 1.00 END ATOM 1 X RES 1 -3.083 0.409 1.080 1.00 1.00 -ATOM 5 X RES 5 -1.621 0.344 0.890 1.00 1.00 -ATOM 6 X RES 6 -0.898 1.137 1.440 1.00 1.00 -ATOM 7 X RES 7 -1.172 -0.616 0.071 1.00 1.00 -ATOM 8 X RES 8 -1.857 -1.194 -0.320 1.00 1.00 -ATOM 9 X RES 9 0.195 -1.018 -0.235 1.00 1.00 -ATOM 10 X RES 10 0.409 -1.831 0.425 1.00 1.00 -ATOM 11 X RES 11 0.222 -1.548 -1.671 1.00 1.00 -ATOM 15 X RES 15 1.358 -0.038 -0.028 1.00 1.00 -ATOM 16 X RES 16 2.329 -0.352 0.661 1.00 1.00 -ATOM 17 X RES 17 1.297 1.159 -0.648 1.00 1.00 -ATOM 18 X RES 18 0.476 1.406 -1.148 1.00 1.00 -ATOM 19 X RES 19 2.345 2.143 -0.518 1.00 1.00 +ATOM 5 X RES 1 -1.621 0.344 0.890 1.00 1.00 +ATOM 6 X RES 1 -0.898 1.137 1.440 1.00 1.00 +ATOM 7 X RES 1 -1.172 -0.616 0.071 1.00 1.00 +ATOM 8 X RES 1 -1.857 -1.194 -0.320 1.00 1.00 +ATOM 9 X RES 1 0.195 -1.018 -0.235 1.00 1.00 +ATOM 10 X RES 1 0.409 -1.831 0.425 1.00 1.00 +ATOM 11 X RES 1 0.222 -1.548 -1.671 1.00 1.00 +ATOM 15 X RES 1 1.358 -0.038 -0.028 1.00 1.00 +ATOM 16 X RES 1 2.329 -0.352 0.661 1.00 1.00 +ATOM 17 X RES 1 1.297 1.159 -0.648 1.00 1.00 +ATOM 18 X RES 1 0.476 1.406 -1.148 1.00 1.00 +ATOM 19 X RES 1 2.345 2.143 -0.518 1.00 1.00 END ATOM 1 X RES 1 -3.227 0.275 0.672 1.00 1.00 -ATOM 5 X RES 5 -1.752 0.348 0.611 1.00 1.00 -ATOM 6 X RES 6 -1.169 1.315 1.034 1.00 1.00 -ATOM 7 X RES 7 -1.135 -0.704 0.044 1.00 1.00 -ATOM 8 X RES 8 -1.727 -1.417 -0.278 1.00 1.00 -ATOM 9 X RES 9 0.285 -1.016 -0.073 1.00 1.00 -ATOM 10 X RES 10 0.472 -1.737 0.695 1.00 1.00 -ATOM 11 X RES 11 0.517 -1.700 -1.427 1.00 1.00 -ATOM 15 X RES 15 1.349 0.065 0.152 1.00 1.00 -ATOM 16 X RES 16 2.206 -0.074 1.025 1.00 1.00 -ATOM 17 X RES 17 1.324 1.156 -0.645 1.00 1.00 -ATOM 18 X RES 18 0.576 1.268 -1.289 1.00 1.00 -ATOM 19 X RES 19 2.280 2.221 -0.522 1.00 1.00 +ATOM 5 X RES 1 -1.752 0.348 0.611 1.00 1.00 +ATOM 6 X RES 1 -1.169 1.315 1.034 1.00 1.00 +ATOM 7 X RES 1 -1.135 -0.704 0.044 1.00 1.00 +ATOM 8 X RES 1 -1.727 -1.417 -0.278 1.00 1.00 +ATOM 9 X RES 1 0.285 -1.016 -0.073 1.00 1.00 +ATOM 10 X RES 1 0.472 -1.737 0.695 1.00 1.00 +ATOM 11 X RES 1 0.517 -1.700 -1.427 1.00 1.00 +ATOM 15 X RES 1 1.349 0.065 0.152 1.00 1.00 +ATOM 16 X RES 1 2.206 -0.074 1.025 1.00 1.00 +ATOM 17 X RES 1 1.324 1.156 -0.645 1.00 1.00 +ATOM 18 X RES 1 0.576 1.268 -1.289 1.00 1.00 +ATOM 19 X RES 1 2.280 2.221 -0.522 1.00 1.00 END ATOM 1 X RES 1 -3.232 0.249 0.714 1.00 1.00 -ATOM 5 X RES 5 -1.763 0.368 0.595 1.00 1.00 -ATOM 6 X RES 6 -1.202 1.384 0.929 1.00 1.00 -ATOM 7 X RES 7 -1.134 -0.706 0.073 1.00 1.00 -ATOM 8 X RES 8 -1.719 -1.454 -0.186 1.00 1.00 -ATOM 9 X RES 9 0.279 -1.011 -0.080 1.00 1.00 -ATOM 10 X RES 10 0.479 -1.759 0.660 1.00 1.00 -ATOM 11 X RES 11 0.491 -1.654 -1.460 1.00 1.00 -ATOM 15 X RES 15 1.348 0.059 0.155 1.00 1.00 -ATOM 16 X RES 16 2.186 -0.091 1.046 1.00 1.00 -ATOM 17 X RES 17 1.347 1.150 -0.641 1.00 1.00 -ATOM 18 X RES 18 0.616 1.261 -1.304 1.00 1.00 -ATOM 19 X RES 19 2.303 2.203 -0.503 1.00 1.00 +ATOM 5 X RES 1 -1.763 0.368 0.595 1.00 1.00 +ATOM 6 X RES 1 -1.202 1.384 0.929 1.00 1.00 +ATOM 7 X RES 1 -1.134 -0.706 0.073 1.00 1.00 +ATOM 8 X RES 1 -1.719 -1.454 -0.186 1.00 1.00 +ATOM 9 X RES 1 0.279 -1.011 -0.080 1.00 1.00 +ATOM 10 X RES 1 0.479 -1.759 0.660 1.00 1.00 +ATOM 11 X RES 1 0.491 -1.654 -1.460 1.00 1.00 +ATOM 15 X RES 1 1.348 0.059 0.155 1.00 1.00 +ATOM 16 X RES 1 2.186 -0.091 1.046 1.00 1.00 +ATOM 17 X RES 1 1.347 1.150 -0.641 1.00 1.00 +ATOM 18 X RES 1 0.616 1.261 -1.304 1.00 1.00 +ATOM 19 X RES 1 2.303 2.203 -0.503 1.00 1.00 END ATOM 1 X RES 1 -3.234 0.390 0.613 1.00 1.00 -ATOM 5 X RES 5 -1.762 0.396 0.548 1.00 1.00 -ATOM 6 X RES 6 -1.144 1.338 1.001 1.00 1.00 -ATOM 7 X RES 7 -1.197 -0.657 -0.049 1.00 1.00 -ATOM 8 X RES 8 -1.816 -1.334 -0.404 1.00 1.00 -ATOM 9 X RES 9 0.203 -1.004 -0.245 1.00 1.00 -ATOM 10 X RES 10 0.352 -1.895 0.337 1.00 1.00 -ATOM 11 X RES 11 0.430 -1.386 -1.717 1.00 1.00 -ATOM 15 X RES 15 1.319 -0.058 0.240 1.00 1.00 -ATOM 16 X RES 16 2.068 -0.401 1.144 1.00 1.00 -ATOM 17 X RES 17 1.472 1.135 -0.388 1.00 1.00 -ATOM 18 X RES 18 0.799 1.414 -1.062 1.00 1.00 -ATOM 19 X RES 19 2.510 2.063 -0.017 1.00 1.00 +ATOM 5 X RES 1 -1.762 0.396 0.548 1.00 1.00 +ATOM 6 X RES 1 -1.144 1.338 1.001 1.00 1.00 +ATOM 7 X RES 1 -1.197 -0.657 -0.049 1.00 1.00 +ATOM 8 X RES 1 -1.816 -1.334 -0.404 1.00 1.00 +ATOM 9 X RES 1 0.203 -1.004 -0.245 1.00 1.00 +ATOM 10 X RES 1 0.352 -1.895 0.337 1.00 1.00 +ATOM 11 X RES 1 0.430 -1.386 -1.717 1.00 1.00 +ATOM 15 X RES 1 1.319 -0.058 0.240 1.00 1.00 +ATOM 16 X RES 1 2.068 -0.401 1.144 1.00 1.00 +ATOM 17 X RES 1 1.472 1.135 -0.388 1.00 1.00 +ATOM 18 X RES 1 0.799 1.414 -1.062 1.00 1.00 +ATOM 19 X RES 1 2.510 2.063 -0.017 1.00 1.00 END ATOM 1 X RES 1 -3.238 0.351 0.656 1.00 1.00 -ATOM 5 X RES 5 -1.777 0.406 0.524 1.00 1.00 -ATOM 6 X RES 6 -1.175 1.393 0.887 1.00 1.00 -ATOM 7 X RES 7 -1.199 -0.669 -0.024 1.00 1.00 -ATOM 8 X RES 8 -1.818 -1.367 -0.320 1.00 1.00 -ATOM 9 X RES 9 0.204 -0.989 -0.260 1.00 1.00 -ATOM 10 X RES 10 0.371 -1.895 0.291 1.00 1.00 -ATOM 11 X RES 11 0.403 -1.340 -1.742 1.00 1.00 -ATOM 15 X RES 15 1.320 -0.065 0.246 1.00 1.00 -ATOM 16 X RES 16 2.058 -0.427 1.160 1.00 1.00 -ATOM 17 X RES 17 1.494 1.129 -0.372 1.00 1.00 -ATOM 18 X RES 18 0.833 1.414 -1.055 1.00 1.00 -ATOM 19 X RES 19 2.523 2.060 0.009 1.00 1.00 +ATOM 5 X RES 1 -1.777 0.406 0.524 1.00 1.00 +ATOM 6 X RES 1 -1.175 1.393 0.887 1.00 1.00 +ATOM 7 X RES 1 -1.199 -0.669 -0.024 1.00 1.00 +ATOM 8 X RES 1 -1.818 -1.367 -0.320 1.00 1.00 +ATOM 9 X RES 1 0.204 -0.989 -0.260 1.00 1.00 +ATOM 10 X RES 1 0.371 -1.895 0.291 1.00 1.00 +ATOM 11 X RES 1 0.403 -1.340 -1.742 1.00 1.00 +ATOM 15 X RES 1 1.320 -0.065 0.246 1.00 1.00 +ATOM 16 X RES 1 2.058 -0.427 1.160 1.00 1.00 +ATOM 17 X RES 1 1.494 1.129 -0.372 1.00 1.00 +ATOM 18 X RES 1 0.833 1.414 -1.055 1.00 1.00 +ATOM 19 X RES 1 2.523 2.060 0.009 1.00 1.00 END ATOM 1 X RES 1 -3.239 0.383 0.669 1.00 1.00 -ATOM 5 X RES 5 -1.784 0.443 0.476 1.00 1.00 -ATOM 6 X RES 6 -1.180 1.456 0.747 1.00 1.00 -ATOM 7 X RES 7 -1.210 -0.668 -0.005 1.00 1.00 -ATOM 8 X RES 8 -1.830 -1.391 -0.223 1.00 1.00 -ATOM 9 X RES 9 0.192 -0.981 -0.267 1.00 1.00 -ATOM 10 X RES 10 0.361 -1.901 0.260 1.00 1.00 -ATOM 11 X RES 11 0.376 -1.315 -1.755 1.00 1.00 -ATOM 15 X RES 15 1.316 -0.086 0.264 1.00 1.00 -ATOM 16 X RES 16 2.030 -0.456 1.196 1.00 1.00 -ATOM 17 X RES 17 1.526 1.102 -0.353 1.00 1.00 -ATOM 18 X RES 18 0.878 1.395 -1.048 1.00 1.00 -ATOM 19 X RES 19 2.564 2.019 0.039 1.00 1.00 +ATOM 5 X RES 1 -1.784 0.443 0.476 1.00 1.00 +ATOM 6 X RES 1 -1.180 1.456 0.747 1.00 1.00 +ATOM 7 X RES 1 -1.210 -0.668 -0.005 1.00 1.00 +ATOM 8 X RES 1 -1.830 -1.391 -0.223 1.00 1.00 +ATOM 9 X RES 1 0.192 -0.981 -0.267 1.00 1.00 +ATOM 10 X RES 1 0.361 -1.901 0.260 1.00 1.00 +ATOM 11 X RES 1 0.376 -1.315 -1.755 1.00 1.00 +ATOM 15 X RES 1 1.316 -0.086 0.264 1.00 1.00 +ATOM 16 X RES 1 2.030 -0.456 1.196 1.00 1.00 +ATOM 17 X RES 1 1.526 1.102 -0.353 1.00 1.00 +ATOM 18 X RES 1 0.878 1.395 -1.048 1.00 1.00 +ATOM 19 X RES 1 2.564 2.019 0.039 1.00 1.00 END ATOM 1 X RES 1 -3.230 0.387 0.696 1.00 1.00 -ATOM 5 X RES 5 -1.781 0.447 0.441 1.00 1.00 -ATOM 6 X RES 6 -1.191 1.486 0.621 1.00 1.00 -ATOM 7 X RES 7 -1.209 -0.685 0.024 1.00 1.00 -ATOM 8 X RES 8 -1.819 -1.432 -0.121 1.00 1.00 -ATOM 9 X RES 9 0.188 -0.987 -0.279 1.00 1.00 -ATOM 10 X RES 10 0.372 -1.922 0.219 1.00 1.00 -ATOM 11 X RES 11 0.356 -1.256 -1.778 1.00 1.00 -ATOM 15 X RES 15 1.310 -0.089 0.268 1.00 1.00 -ATOM 16 X RES 16 2.008 -0.471 1.199 1.00 1.00 -ATOM 17 X RES 17 1.530 1.103 -0.335 1.00 1.00 -ATOM 18 X RES 18 0.881 1.415 -1.018 1.00 1.00 -ATOM 19 X RES 19 2.585 2.006 0.062 1.00 1.00 +ATOM 5 X RES 1 -1.781 0.447 0.441 1.00 1.00 +ATOM 6 X RES 1 -1.191 1.486 0.621 1.00 1.00 +ATOM 7 X RES 1 -1.209 -0.685 0.024 1.00 1.00 +ATOM 8 X RES 1 -1.819 -1.432 -0.121 1.00 1.00 +ATOM 9 X RES 1 0.188 -0.987 -0.279 1.00 1.00 +ATOM 10 X RES 1 0.372 -1.922 0.219 1.00 1.00 +ATOM 11 X RES 1 0.356 -1.256 -1.778 1.00 1.00 +ATOM 15 X RES 1 1.310 -0.089 0.268 1.00 1.00 +ATOM 16 X RES 1 2.008 -0.471 1.199 1.00 1.00 +ATOM 17 X RES 1 1.530 1.103 -0.335 1.00 1.00 +ATOM 18 X RES 1 0.881 1.415 -1.018 1.00 1.00 +ATOM 19 X RES 1 2.585 2.006 0.062 1.00 1.00 END ATOM 1 X RES 1 -3.219 0.385 0.725 1.00 1.00 -ATOM 5 X RES 5 -1.784 0.453 0.408 1.00 1.00 -ATOM 6 X RES 6 -1.210 1.511 0.492 1.00 1.00 -ATOM 7 X RES 7 -1.207 -0.700 0.049 1.00 1.00 -ATOM 8 X RES 8 -1.801 -1.466 -0.028 1.00 1.00 -ATOM 9 X RES 9 0.184 -0.979 -0.287 1.00 1.00 -ATOM 10 X RES 10 0.383 -1.926 0.180 1.00 1.00 -ATOM 11 X RES 11 0.324 -1.209 -1.797 1.00 1.00 -ATOM 15 X RES 15 1.309 -0.097 0.271 1.00 1.00 -ATOM 16 X RES 16 2.007 -0.493 1.194 1.00 1.00 -ATOM 17 X RES 17 1.537 1.100 -0.314 1.00 1.00 -ATOM 18 X RES 18 0.888 1.421 -0.993 1.00 1.00 -ATOM 19 X RES 19 2.589 2.000 0.099 1.00 1.00 +ATOM 5 X RES 1 -1.784 0.453 0.408 1.00 1.00 +ATOM 6 X RES 1 -1.210 1.511 0.492 1.00 1.00 +ATOM 7 X RES 1 -1.207 -0.700 0.049 1.00 1.00 +ATOM 8 X RES 1 -1.801 -1.466 -0.028 1.00 1.00 +ATOM 9 X RES 1 0.184 -0.979 -0.287 1.00 1.00 +ATOM 10 X RES 1 0.383 -1.926 0.180 1.00 1.00 +ATOM 11 X RES 1 0.324 -1.209 -1.797 1.00 1.00 +ATOM 15 X RES 1 1.309 -0.097 0.271 1.00 1.00 +ATOM 16 X RES 1 2.007 -0.493 1.194 1.00 1.00 +ATOM 17 X RES 1 1.537 1.100 -0.314 1.00 1.00 +ATOM 18 X RES 1 0.888 1.421 -0.993 1.00 1.00 +ATOM 19 X RES 1 2.589 2.000 0.099 1.00 1.00 END ATOM 1 X RES 1 -3.208 0.400 0.736 1.00 1.00 -ATOM 5 X RES 5 -1.788 0.468 0.371 1.00 1.00 -ATOM 6 X RES 6 -1.229 1.539 0.370 1.00 1.00 -ATOM 7 X RES 7 -1.204 -0.707 0.071 1.00 1.00 -ATOM 8 X RES 8 -1.773 -1.499 0.070 1.00 1.00 -ATOM 9 X RES 9 0.177 -0.974 -0.301 1.00 1.00 -ATOM 10 X RES 10 0.379 -1.934 0.137 1.00 1.00 -ATOM 11 X RES 11 0.295 -1.153 -1.821 1.00 1.00 -ATOM 15 X RES 15 1.314 -0.113 0.270 1.00 1.00 -ATOM 16 X RES 16 2.017 -0.545 1.177 1.00 1.00 -ATOM 17 X RES 17 1.542 1.097 -0.283 1.00 1.00 -ATOM 18 X RES 18 0.898 1.430 -0.962 1.00 1.00 -ATOM 19 X RES 19 2.582 1.989 0.165 1.00 1.00 +ATOM 5 X RES 1 -1.788 0.468 0.371 1.00 1.00 +ATOM 6 X RES 1 -1.229 1.539 0.370 1.00 1.00 +ATOM 7 X RES 1 -1.204 -0.707 0.071 1.00 1.00 +ATOM 8 X RES 1 -1.773 -1.499 0.070 1.00 1.00 +ATOM 9 X RES 1 0.177 -0.974 -0.301 1.00 1.00 +ATOM 10 X RES 1 0.379 -1.934 0.137 1.00 1.00 +ATOM 11 X RES 1 0.295 -1.153 -1.821 1.00 1.00 +ATOM 15 X RES 1 1.314 -0.113 0.270 1.00 1.00 +ATOM 16 X RES 1 2.017 -0.545 1.177 1.00 1.00 +ATOM 17 X RES 1 1.542 1.097 -0.283 1.00 1.00 +ATOM 18 X RES 1 0.898 1.430 -0.962 1.00 1.00 +ATOM 19 X RES 1 2.582 1.989 0.165 1.00 1.00 END ATOM 1 X RES 1 -3.216 0.406 0.748 1.00 1.00 -ATOM 5 X RES 5 -1.791 0.495 0.342 1.00 1.00 -ATOM 6 X RES 6 -1.261 1.577 0.261 1.00 1.00 -ATOM 7 X RES 7 -1.188 -0.701 0.090 1.00 1.00 -ATOM 8 X RES 8 -1.720 -1.512 0.169 1.00 1.00 -ATOM 9 X RES 9 0.191 -0.976 -0.308 1.00 1.00 -ATOM 10 X RES 10 0.368 -1.957 0.097 1.00 1.00 -ATOM 11 X RES 11 0.288 -1.119 -1.829 1.00 1.00 -ATOM 15 X RES 15 1.329 -0.127 0.265 1.00 1.00 -ATOM 16 X RES 16 2.038 -0.574 1.157 1.00 1.00 -ATOM 17 X RES 17 1.534 1.087 -0.264 1.00 1.00 -ATOM 18 X RES 18 0.879 1.432 -0.928 1.00 1.00 -ATOM 19 X RES 19 2.549 1.971 0.201 1.00 1.00 +ATOM 5 X RES 1 -1.791 0.495 0.342 1.00 1.00 +ATOM 6 X RES 1 -1.261 1.577 0.261 1.00 1.00 +ATOM 7 X RES 1 -1.188 -0.701 0.090 1.00 1.00 +ATOM 8 X RES 1 -1.720 -1.512 0.169 1.00 1.00 +ATOM 9 X RES 1 0.191 -0.976 -0.308 1.00 1.00 +ATOM 10 X RES 1 0.368 -1.957 0.097 1.00 1.00 +ATOM 11 X RES 1 0.288 -1.119 -1.829 1.00 1.00 +ATOM 15 X RES 1 1.329 -0.127 0.265 1.00 1.00 +ATOM 16 X RES 1 2.038 -0.574 1.157 1.00 1.00 +ATOM 17 X RES 1 1.534 1.087 -0.264 1.00 1.00 +ATOM 18 X RES 1 0.879 1.432 -0.928 1.00 1.00 +ATOM 19 X RES 1 2.549 1.971 0.201 1.00 1.00 END ATOM 1 X RES 1 -3.198 0.418 0.773 1.00 1.00 -ATOM 5 X RES 5 -1.791 0.485 0.301 1.00 1.00 -ATOM 6 X RES 6 -1.279 1.569 0.128 1.00 1.00 -ATOM 7 X RES 7 -1.182 -0.705 0.120 1.00 1.00 -ATOM 8 X RES 8 -1.696 -1.516 0.263 1.00 1.00 -ATOM 9 X RES 9 0.185 -0.971 -0.321 1.00 1.00 -ATOM 10 X RES 10 0.380 -1.961 0.054 1.00 1.00 -ATOM 11 X RES 11 0.253 -1.077 -1.843 1.00 1.00 -ATOM 15 X RES 15 1.328 -0.138 0.265 1.00 1.00 -ATOM 16 X RES 16 2.042 -0.603 1.143 1.00 1.00 -ATOM 17 X RES 17 1.533 1.092 -0.233 1.00 1.00 -ATOM 18 X RES 18 0.857 1.445 -0.876 1.00 1.00 -ATOM 19 X RES 19 2.569 1.964 0.225 1.00 1.00 +ATOM 5 X RES 1 -1.791 0.485 0.301 1.00 1.00 +ATOM 6 X RES 1 -1.279 1.569 0.128 1.00 1.00 +ATOM 7 X RES 1 -1.182 -0.705 0.120 1.00 1.00 +ATOM 8 X RES 1 -1.696 -1.516 0.263 1.00 1.00 +ATOM 9 X RES 1 0.185 -0.971 -0.321 1.00 1.00 +ATOM 10 X RES 1 0.380 -1.961 0.054 1.00 1.00 +ATOM 11 X RES 1 0.253 -1.077 -1.843 1.00 1.00 +ATOM 15 X RES 1 1.328 -0.138 0.265 1.00 1.00 +ATOM 16 X RES 1 2.042 -0.603 1.143 1.00 1.00 +ATOM 17 X RES 1 1.533 1.092 -0.233 1.00 1.00 +ATOM 18 X RES 1 0.857 1.445 -0.876 1.00 1.00 +ATOM 19 X RES 1 2.569 1.964 0.225 1.00 1.00 END ATOM 1 X RES 1 -3.126 0.579 0.869 1.00 1.00 -ATOM 5 X RES 5 -1.736 0.593 0.372 1.00 1.00 -ATOM 6 X RES 6 -1.106 1.625 0.436 1.00 1.00 -ATOM 7 X RES 7 -1.254 -0.571 -0.063 1.00 1.00 -ATOM 8 X RES 8 -1.862 -1.315 -0.111 1.00 1.00 -ATOM 9 X RES 9 0.075 -0.847 -0.594 1.00 1.00 -ATOM 10 X RES 10 0.159 -1.922 -0.565 1.00 1.00 -ATOM 11 X RES 11 0.172 -0.487 -2.074 1.00 1.00 -ATOM 15 X RES 15 1.282 -0.383 0.224 1.00 1.00 -ATOM 16 X RES 16 1.901 -1.170 0.921 1.00 1.00 -ATOM 17 X RES 17 1.653 0.910 0.136 1.00 1.00 -ATOM 18 X RES 18 1.046 1.524 -0.364 1.00 1.00 -ATOM 19 X RES 19 2.796 1.464 0.812 1.00 1.00 +ATOM 5 X RES 1 -1.736 0.593 0.372 1.00 1.00 +ATOM 6 X RES 1 -1.106 1.625 0.436 1.00 1.00 +ATOM 7 X RES 1 -1.254 -0.571 -0.063 1.00 1.00 +ATOM 8 X RES 1 -1.862 -1.315 -0.111 1.00 1.00 +ATOM 9 X RES 1 0.075 -0.847 -0.594 1.00 1.00 +ATOM 10 X RES 1 0.159 -1.922 -0.565 1.00 1.00 +ATOM 11 X RES 1 0.172 -0.487 -2.074 1.00 1.00 +ATOM 15 X RES 1 1.282 -0.383 0.224 1.00 1.00 +ATOM 16 X RES 1 1.901 -1.170 0.921 1.00 1.00 +ATOM 17 X RES 1 1.653 0.910 0.136 1.00 1.00 +ATOM 18 X RES 1 1.046 1.524 -0.364 1.00 1.00 +ATOM 19 X RES 1 2.796 1.464 0.812 1.00 1.00 END ATOM 1 X RES 1 -3.107 0.598 0.881 1.00 1.00 -ATOM 5 X RES 5 -1.735 0.606 0.337 1.00 1.00 -ATOM 6 X RES 6 -1.120 1.650 0.315 1.00 1.00 -ATOM 7 X RES 7 -1.244 -0.576 -0.041 1.00 1.00 -ATOM 8 X RES 8 -1.832 -1.340 -0.014 1.00 1.00 -ATOM 9 X RES 9 0.074 -0.847 -0.603 1.00 1.00 -ATOM 10 X RES 10 0.158 -1.922 -0.594 1.00 1.00 -ATOM 11 X RES 11 0.155 -0.450 -2.076 1.00 1.00 -ATOM 15 X RES 15 1.286 -0.395 0.214 1.00 1.00 -ATOM 16 X RES 16 1.924 -1.198 0.876 1.00 1.00 -ATOM 17 X RES 17 1.639 0.904 0.167 1.00 1.00 -ATOM 18 X RES 18 1.019 1.523 -0.310 1.00 1.00 -ATOM 19 X RES 19 2.784 1.447 0.847 1.00 1.00 +ATOM 5 X RES 1 -1.735 0.606 0.337 1.00 1.00 +ATOM 6 X RES 1 -1.120 1.650 0.315 1.00 1.00 +ATOM 7 X RES 1 -1.244 -0.576 -0.041 1.00 1.00 +ATOM 8 X RES 1 -1.832 -1.340 -0.014 1.00 1.00 +ATOM 9 X RES 1 0.074 -0.847 -0.603 1.00 1.00 +ATOM 10 X RES 1 0.158 -1.922 -0.594 1.00 1.00 +ATOM 11 X RES 1 0.155 -0.450 -2.076 1.00 1.00 +ATOM 15 X RES 1 1.286 -0.395 0.214 1.00 1.00 +ATOM 16 X RES 1 1.924 -1.198 0.876 1.00 1.00 +ATOM 17 X RES 1 1.639 0.904 0.167 1.00 1.00 +ATOM 18 X RES 1 1.019 1.523 -0.310 1.00 1.00 +ATOM 19 X RES 1 2.784 1.447 0.847 1.00 1.00 END ATOM 1 X RES 1 -3.090 0.614 0.887 1.00 1.00 -ATOM 5 X RES 5 -1.734 0.616 0.303 1.00 1.00 -ATOM 6 X RES 6 -1.136 1.664 0.198 1.00 1.00 -ATOM 7 X RES 7 -1.231 -0.579 -0.024 1.00 1.00 -ATOM 8 X RES 8 -1.799 -1.357 0.078 1.00 1.00 -ATOM 9 X RES 9 0.075 -0.847 -0.612 1.00 1.00 -ATOM 10 X RES 10 0.158 -1.921 -0.621 1.00 1.00 -ATOM 11 X RES 11 0.143 -0.417 -2.079 1.00 1.00 -ATOM 15 X RES 15 1.292 -0.407 0.203 1.00 1.00 -ATOM 16 X RES 16 1.954 -1.222 0.823 1.00 1.00 -ATOM 17 X RES 17 1.619 0.899 0.202 1.00 1.00 -ATOM 18 X RES 18 0.985 1.523 -0.246 1.00 1.00 -ATOM 19 X RES 19 2.765 1.434 0.887 1.00 1.00 +ATOM 5 X RES 1 -1.734 0.616 0.303 1.00 1.00 +ATOM 6 X RES 1 -1.136 1.664 0.198 1.00 1.00 +ATOM 7 X RES 1 -1.231 -0.579 -0.024 1.00 1.00 +ATOM 8 X RES 1 -1.799 -1.357 0.078 1.00 1.00 +ATOM 9 X RES 1 0.075 -0.847 -0.612 1.00 1.00 +ATOM 10 X RES 1 0.158 -1.921 -0.621 1.00 1.00 +ATOM 11 X RES 1 0.143 -0.417 -2.079 1.00 1.00 +ATOM 15 X RES 1 1.292 -0.407 0.203 1.00 1.00 +ATOM 16 X RES 1 1.954 -1.222 0.823 1.00 1.00 +ATOM 17 X RES 1 1.619 0.899 0.202 1.00 1.00 +ATOM 18 X RES 1 0.985 1.523 -0.246 1.00 1.00 +ATOM 19 X RES 1 2.765 1.434 0.887 1.00 1.00 END ATOM 1 X RES 1 -3.076 0.634 0.889 1.00 1.00 -ATOM 5 X RES 5 -1.732 0.625 0.278 1.00 1.00 -ATOM 6 X RES 6 -1.147 1.671 0.108 1.00 1.00 -ATOM 7 X RES 7 -1.221 -0.578 -0.012 1.00 1.00 -ATOM 8 X RES 8 -1.773 -1.359 0.153 1.00 1.00 -ATOM 9 X RES 9 0.074 -0.849 -0.617 1.00 1.00 -ATOM 10 X RES 10 0.154 -1.924 -0.634 1.00 1.00 -ATOM 11 X RES 11 0.134 -0.403 -2.082 1.00 1.00 -ATOM 15 X RES 15 1.299 -0.417 0.191 1.00 1.00 -ATOM 16 X RES 16 1.984 -1.239 0.773 1.00 1.00 -ATOM 17 X RES 17 1.602 0.892 0.229 1.00 1.00 -ATOM 18 X RES 18 0.952 1.519 -0.191 1.00 1.00 -ATOM 19 X RES 19 2.749 1.426 0.915 1.00 1.00 +ATOM 5 X RES 1 -1.732 0.625 0.278 1.00 1.00 +ATOM 6 X RES 1 -1.147 1.671 0.108 1.00 1.00 +ATOM 7 X RES 1 -1.221 -0.578 -0.012 1.00 1.00 +ATOM 8 X RES 1 -1.773 -1.359 0.153 1.00 1.00 +ATOM 9 X RES 1 0.074 -0.849 -0.617 1.00 1.00 +ATOM 10 X RES 1 0.154 -1.924 -0.634 1.00 1.00 +ATOM 11 X RES 1 0.134 -0.403 -2.082 1.00 1.00 +ATOM 15 X RES 1 1.299 -0.417 0.191 1.00 1.00 +ATOM 16 X RES 1 1.984 -1.239 0.773 1.00 1.00 +ATOM 17 X RES 1 1.602 0.892 0.229 1.00 1.00 +ATOM 18 X RES 1 0.952 1.519 -0.191 1.00 1.00 +ATOM 19 X RES 1 2.749 1.426 0.915 1.00 1.00 END ATOM 1 X RES 1 -3.049 0.672 0.905 1.00 1.00 -ATOM 5 X RES 5 -1.724 0.649 0.252 1.00 1.00 -ATOM 6 X RES 6 -1.149 1.690 0.006 1.00 1.00 -ATOM 7 X RES 7 -1.211 -0.566 -0.006 1.00 1.00 -ATOM 8 X RES 8 -1.745 -1.351 0.238 1.00 1.00 -ATOM 9 X RES 9 0.066 -0.840 -0.642 1.00 1.00 -ATOM 10 X RES 10 0.132 -1.917 -0.691 1.00 1.00 -ATOM 11 X RES 11 0.120 -0.342 -2.094 1.00 1.00 -ATOM 15 X RES 15 1.306 -0.447 0.164 1.00 1.00 -ATOM 16 X RES 16 2.022 -1.294 0.668 1.00 1.00 -ATOM 17 X RES 17 1.582 0.864 0.288 1.00 1.00 -ATOM 18 X RES 18 0.913 1.507 -0.073 1.00 1.00 -ATOM 19 X RES 19 2.736 1.374 0.986 1.00 1.00 +ATOM 5 X RES 1 -1.724 0.649 0.252 1.00 1.00 +ATOM 6 X RES 1 -1.149 1.690 0.006 1.00 1.00 +ATOM 7 X RES 1 -1.211 -0.566 -0.006 1.00 1.00 +ATOM 8 X RES 1 -1.745 -1.351 0.238 1.00 1.00 +ATOM 9 X RES 1 0.066 -0.840 -0.642 1.00 1.00 +ATOM 10 X RES 1 0.132 -1.917 -0.691 1.00 1.00 +ATOM 11 X RES 1 0.120 -0.342 -2.094 1.00 1.00 +ATOM 15 X RES 1 1.306 -0.447 0.164 1.00 1.00 +ATOM 16 X RES 1 2.022 -1.294 0.668 1.00 1.00 +ATOM 17 X RES 1 1.582 0.864 0.288 1.00 1.00 +ATOM 18 X RES 1 0.913 1.507 -0.073 1.00 1.00 +ATOM 19 X RES 1 2.736 1.374 0.986 1.00 1.00 END ATOM 1 X RES 1 -3.094 0.678 0.684 1.00 1.00 -ATOM 5 X RES 5 -1.778 0.532 0.026 1.00 1.00 -ATOM 6 X RES 6 -1.318 1.442 -0.644 1.00 1.00 -ATOM 7 X RES 7 -1.140 -0.636 0.226 1.00 1.00 -ATOM 8 X RES 8 -1.580 -1.306 0.808 1.00 1.00 -ATOM 9 X RES 9 0.152 -1.004 -0.322 1.00 1.00 -ATOM 10 X RES 10 0.318 -2.026 -0.004 1.00 1.00 -ATOM 11 X RES 11 0.164 -1.024 -1.860 1.00 1.00 -ATOM 15 X RES 15 1.354 -0.254 0.262 1.00 1.00 -ATOM 16 X RES 16 2.178 -0.824 0.954 1.00 1.00 -ATOM 17 X RES 17 1.466 1.056 -0.028 1.00 1.00 -ATOM 18 X RES 18 0.716 1.484 -0.530 1.00 1.00 -ATOM 19 X RES 19 2.558 1.884 0.422 1.00 1.00 +ATOM 5 X RES 1 -1.778 0.532 0.026 1.00 1.00 +ATOM 6 X RES 1 -1.318 1.442 -0.644 1.00 1.00 +ATOM 7 X RES 1 -1.140 -0.636 0.226 1.00 1.00 +ATOM 8 X RES 1 -1.580 -1.306 0.808 1.00 1.00 +ATOM 9 X RES 1 0.152 -1.004 -0.322 1.00 1.00 +ATOM 10 X RES 1 0.318 -2.026 -0.004 1.00 1.00 +ATOM 11 X RES 1 0.164 -1.024 -1.860 1.00 1.00 +ATOM 15 X RES 1 1.354 -0.254 0.262 1.00 1.00 +ATOM 16 X RES 1 2.178 -0.824 0.954 1.00 1.00 +ATOM 17 X RES 1 1.466 1.056 -0.028 1.00 1.00 +ATOM 18 X RES 1 0.716 1.484 -0.530 1.00 1.00 +ATOM 19 X RES 1 2.558 1.884 0.422 1.00 1.00 END diff --git a/src/mapping/AdaptivePath.cpp b/src/mapping/AdaptivePath.cpp index 0acce615cf..373d8f920d 100644 --- a/src/mapping/AdaptivePath.cpp +++ b/src/mapping/AdaptivePath.cpp @@ -103,7 +103,7 @@ void AdaptivePath::registerKeywords( Keywords& keys ) { keys.add("compulsory","TOLERANCE","1E-6","the tolerance to use for the path updating algorithm that makes all frames equidistant"); keys.add("optional","WFILE","file on which to write out the path"); keys.add("compulsory","FMT","%f","the format to use for output files"); - keys.add("compulsory","WSTRIDE","frequency with which to write out the path"); + keys.add("compulsory","WSTRIDE","0,","frequency with which to write out the path"); keys.setValueDescription("the position along and from the adaptive path"); keys.needsAction("GEOMETRIC_PATH"); keys.needsAction("AVERAGE_PATH_DISPLACEMENT"); keys.needsAction("REPARAMETERIZE_PATH"); keys.needsAction("DUMPPDB"); @@ -140,8 +140,7 @@ AdaptivePath::AdaptivePath(const ActionOptions& ao): // Create the object to update the path std::string fixedn; parse("FIXED",fixedn); std::string component="METRIC_COMPONENT=disp"; if( argnames.size()>0 ) { metric="DIFFERENCE"; component=""; } - if( fixedn.length()>0 ) readInputLine("REPARAMETERIZE_PATH DISPLACE_FRAMES=" + getShortcutLabel() + "_disp FIXED=" + fixedn + " STRIDE=" + update + " METRIC={" + metric + "} " + component + " REFERENCE=" + reference_data ); - else readInputLine("REPARAMETERIZE_PATH DISPLACE_FRAMES=" + getShortcutLabel() + "_disp STRIDE=" + update + " METRIC={" + metric + "} " + component + " REFERENCE=" + reference_data ); + readInputLine("REPARAMETERIZE_PATH DISPLACE_FRAMES=" + getShortcutLabel() + "_disp FIXED=" + fixedn + " STRIDE=" + update + " METRIC={" + metric + "} " + component + " REFERENCE=" + reference_data ); // Information for write out std::string wfilename; parse("WFILE",wfilename); @@ -152,6 +151,11 @@ AdaptivePath::AdaptivePath(const ActionOptions& ao): FILE* fp=std::fopen(reference.c_str(),"r"); double fake_unit=0.1; PDB mypdb; bool do_read=mypdb.readFromFilepointer(fp,false,fake_unit); std::string num; Tools::convert( mypdb.getAtomNumbers()[0].serial(), atomstr ); for(unsigned j=1; j

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