NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
520425 | 2la2 | 17500 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ARG 1 H ARG 1 1.807 0.001 0.855 2 HA ARG 1 HA ARG 1 1.906 0.936 -1.746 3 HB2 ARG 1 2HB ARG 1 3.787 -1.090 -0.523 4 HB3 ARG 1 3HB ARG 1 4.136 -0.015 -1.870 5 HG2 ARG 1 2HG ARG 1 4.721 1.637 -0.510 6 HG3 ARG 1 3HG ARG 1 3.257 1.454 0.458 7 HD2 ARG 1 2HD ARG 1 4.835 0.927 2.025 8 HD3 ARG 1 3HD ARG 1 4.526 -0.674 1.355 9 HE ARG 1 HE ARG 1 6.685 -0.714 0.636 10 HH11 ARG 1 1HH1 ARG 1 5.740 2.605 1.099 11 HH12 ARG 1 2HH1 ARG 1 7.315 3.238 0.752 12 HH21 ARG 1 1HH2 ARG 1 8.763 0.108 0.176 13 HH22 ARG 1 2HH2 ARG 1 9.033 1.817 0.226 14 H TRP 2 H TRP 2 1.540 -2.383 -0.585 15 HA TRP 2 HA TRP 2 0.615 -3.142 -3.262 16 HB2 TRP 2 2HB TRP 2 3.092 -3.927 -2.227 17 HB3 TRP 2 3HB TRP 2 2.044 -5.324 -1.994 18 HD1 TRP 2 HD1 TRP 2 2.244 -2.864 -4.997 19 HE1 TRP 2 HE1 TRP 2 2.595 -4.257 -7.132 20 HE3 TRP 2 HE3 TRP 2 2.556 -7.512 -2.891 21 HZ2 TRP 2 HZ2 TRP 2 2.955 -6.968 -7.832 22 HZ3 TRP 2 HZ3 TRP 2 2.904 -9.453 -4.363 23 HH2 TRP 2 HH2 TRP 2 3.099 -9.184 -6.782 24 H LYS 3 H LYS 3 1.013 -4.324 0.077 25 HA LYS 3 HA LYS 3 -0.965 -6.264 0.062 26 HB2 LYS 3 2HB LYS 3 0.311 -4.595 2.173 27 HB3 LYS 3 3HB LYS 3 -1.149 -5.476 2.603 28 HG2 LYS 3 2HG LYS 3 0.023 -7.534 1.650 29 HG3 LYS 3 3HG LYS 3 1.496 -6.563 1.704 30 HD2 LYS 3 2HD LYS 3 0.010 -6.399 4.185 31 HD3 LYS 3 3HD LYS 3 0.415 -8.067 3.776 32 HE2 LYS 3 2HE LYS 3 2.770 -6.937 3.252 33 HE3 LYS 3 3HE LYS 3 2.185 -5.784 4.450 34 HZ1 LYS 3 3HZ LYS 3 1.869 -7.596 6.003 35 HZ2 LYS 3 1HZ LYS 3 3.471 -7.571 5.461 36 HZ3 LYS 3 2HZ LYS 3 2.389 -8.720 4.852 37 H ILE 4 H ILE 4 -1.365 -3.038 1.533 38 HA ILE 4 HA ILE 4 -4.106 -3.108 1.840 39 HB ILE 4 HB ILE 4 -2.471 -0.660 1.167 40 HG12 ILE 4 2HG1 ILE 4 -2.931 -0.673 3.891 41 HG13 ILE 4 3HG1 ILE 4 -2.601 -2.366 3.541 42 HG21 ILE 4 1HG2 ILE 4 -5.246 -1.087 2.144 43 HG22 ILE 4 2HG2 ILE 4 -4.344 0.297 2.757 44 HG23 ILE 4 3HG2 ILE 4 -4.615 0.119 1.024 45 HD11 ILE 4 3HD1 ILE 4 -0.756 -0.391 2.358 46 HD12 ILE 4 1HD1 ILE 4 -0.697 -0.592 4.109 47 HD13 ILE 4 2HD1 ILE 4 -0.434 -1.980 3.052 48 H PHE 5 H PHE 5 -2.274 -1.815 -0.925 49 HA PHE 5 HA PHE 5 -4.388 -0.941 -2.478 50 HB2 PHE 5 2HB PHE 5 -1.604 -1.766 -2.976 51 HB3 PHE 5 3HB PHE 5 -2.668 -1.882 -4.374 52 HD1 PHE 5 HD1 PHE 5 -1.613 0.470 -1.694 53 HD2 PHE 5 HD2 PHE 5 -3.100 -0.003 -5.654 54 HE1 PHE 5 HE1 PHE 5 -1.369 2.889 -2.072 55 HE2 PHE 5 HE2 PHE 5 -2.857 2.414 -6.038 56 HZ PHE 5 HZ PHE 5 -1.990 3.864 -4.246 57 H LYS 6 H LYS 6 -2.707 -4.052 -2.956 58 HA LYS 6 HA LYS 6 -4.520 -5.186 -4.706 59 HB2 LYS 6 2HB LYS 6 -2.188 -6.003 -3.667 60 HB3 LYS 6 3HB LYS 6 -3.276 -6.989 -2.699 61 HG2 LYS 6 2HG LYS 6 -2.647 -8.295 -4.561 62 HG3 LYS 6 3HG LYS 6 -4.309 -7.777 -4.849 63 HD2 LYS 6 2HD LYS 6 -3.742 -6.614 -6.678 64 HD3 LYS 6 3HD LYS 6 -2.321 -5.916 -5.898 65 HE2 LYS 6 2HE LYS 6 -1.294 -8.269 -6.205 66 HE3 LYS 6 3HE LYS 6 -2.586 -8.507 -7.380 67 HZ1 LYS 6 3HZ LYS 6 -1.492 -7.302 -8.866 68 HZ2 LYS 6 1HZ LYS 6 -0.161 -7.292 -7.822 69 HZ3 LYS 6 2HZ LYS 6 -1.274 -6.019 -7.786 70 H LYS 7 H LYS 7 -4.536 -5.214 -1.170 71 HA LYS 7 HA LYS 7 -6.678 -6.979 -0.797 72 HB2 LYS 7 2HB LYS 7 -5.237 -6.329 1.043 73 HB3 LYS 7 3HB LYS 7 -5.755 -4.654 0.901 74 HG2 LYS 7 2HG LYS 7 -7.828 -5.077 1.827 75 HG3 LYS 7 3HG LYS 7 -7.761 -6.799 1.445 76 HD2 LYS 7 2HD LYS 7 -7.016 -7.194 3.502 77 HD3 LYS 7 3HD LYS 7 -5.571 -6.248 3.137 78 HE2 LYS 7 2HE LYS 7 -7.145 -4.220 3.668 79 HE3 LYS 7 3HE LYS 7 -8.075 -5.436 4.543 80 HZ1 LYS 7 3HZ LYS 7 -5.731 -4.117 5.350 81 HZ2 LYS 7 1HZ LYS 7 -5.396 -5.771 5.230 82 HZ3 LYS 7 2HZ LYS 7 -6.662 -5.234 6.215 83 H ILE 8 H ILE 8 -6.834 -3.439 -0.382 84 HA ILE 8 HA ILE 8 -9.583 -3.194 -0.368 85 HB ILE 8 HB ILE 8 -7.613 -1.204 -1.501 86 HG12 ILE 8 2HG1 ILE 8 -7.077 -1.880 0.803 87 HG13 ILE 8 3HG1 ILE 8 -7.637 -0.212 0.739 88 HG21 ILE 8 1HG2 ILE 8 -9.349 0.461 -0.892 89 HG22 ILE 8 2HG2 ILE 8 -9.850 -0.642 -2.174 90 HG23 ILE 8 3HG2 ILE 8 -10.446 -0.872 -0.530 91 HD11 ILE 8 3HD1 ILE 8 -8.585 -1.347 2.642 92 HD12 ILE 8 1HD1 ILE 8 -9.854 -0.949 1.484 93 HD13 ILE 8 2HD1 ILE 8 -9.249 -2.602 1.596 94 H GLU 9 H GLU 9 -7.385 -3.237 -3.138 95 HA GLU 9 HA GLU 9 -9.275 -2.597 -5.117 96 HB2 GLU 9 2HB GLU 9 -6.914 -2.487 -5.601 97 HB3 GLU 9 3HB GLU 9 -6.722 -4.203 -5.272 98 HG2 GLU 9 2HG GLU 9 -7.239 -4.737 -7.356 99 HG3 GLU 9 3HG GLU 9 -8.713 -3.772 -7.305 100 H LYS 10 H LYS 10 -8.102 -5.754 -3.971 101 HA LYS 10 HA LYS 10 -9.757 -7.303 -5.654 102 HB2 LYS 10 2HB LYS 10 -7.789 -8.263 -4.613 103 HB3 LYS 10 3HB LYS 10 -8.452 -7.973 -3.011 104 HG2 LYS 10 2HG LYS 10 -9.415 -9.962 -3.038 105 HG3 LYS 10 3HG LYS 10 -10.334 -9.512 -4.477 106 HD2 LYS 10 2HD LYS 10 -7.894 -10.031 -5.551 107 HD3 LYS 10 3HD LYS 10 -7.926 -11.178 -4.210 108 HE2 LYS 10 2HE LYS 10 -8.819 -12.248 -6.168 109 HE3 LYS 10 3HE LYS 10 -10.129 -11.982 -5.018 110 HZ1 LYS 10 3HZ LYS 10 -10.087 -11.222 -7.651 111 HZ2 LYS 10 1HZ LYS 10 -9.836 -9.781 -6.802 112 HZ3 LYS 10 2HZ LYS 10 -11.201 -10.725 -6.480 113 H VAL 11 H VAL 11 -10.056 -6.654 -2.155 114 HA VAL 11 HA VAL 11 -12.532 -7.814 -1.745 115 HB VAL 11 HB VAL 11 -11.541 -5.306 -0.385 116 HG11 VAL 11 1HG1 VAL 11 -13.484 -7.443 0.481 117 HG12 VAL 11 2HG1 VAL 11 -12.879 -6.149 1.517 118 HG13 VAL 11 3HG1 VAL 11 -13.860 -5.763 0.102 119 HG21 VAL 11 3HG2 VAL 11 -9.849 -6.533 0.379 120 HG22 VAL 11 1HG2 VAL 11 -11.032 -7.525 1.231 121 HG23 VAL 11 2HG2 VAL 11 -10.490 -7.990 -0.381 122 H GLY 12 H GLY 12 -11.751 -4.613 -2.996 123 HA2 GLY 12 2HA GLY 12 -14.284 -3.442 -2.870 124 HA3 GLY 12 3HA GLY 12 -13.044 -3.036 -4.047 125 H ARG 13 H ARG 13 -12.823 -5.317 -5.519 126 HA ARG 13 HA ARG 13 -15.229 -5.199 -7.090 127 HB2 ARG 13 2HB ARG 13 -12.575 -5.661 -7.657 128 HB3 ARG 13 3HB ARG 13 -13.281 -7.264 -7.811 129 HG2 ARG 13 2HG ARG 13 -14.766 -5.089 -9.125 130 HG3 ARG 13 3HG ARG 13 -13.180 -5.462 -9.804 131 HD2 ARG 13 2HD ARG 13 -14.939 -7.757 -9.180 132 HD3 ARG 13 3HD ARG 13 -15.425 -6.732 -10.529 133 HE ARG 13 HE ARG 13 -12.665 -7.544 -10.609 134 HH11 ARG 13 1HH1 ARG 13 -15.933 -8.374 -11.476 135 HH12 ARG 13 2HH1 ARG 13 -15.461 -9.419 -12.775 136 HH21 ARG 13 1HH2 ARG 13 -12.031 -8.917 -12.316 137 HH22 ARG 13 2HH2 ARG 13 -13.242 -9.728 -13.252 138 H ASN 14 H ASN 14 -13.739 -7.453 -4.869 139 HA ASN 14 HA ASN 14 -15.138 -9.777 -5.490 140 HB2 ASN 14 2HB ASN 14 -13.215 -9.492 -3.844 141 HB3 ASN 14 3HB ASN 14 -14.417 -8.943 -2.681 142 HD21 ASN 14 1HD2 ASN 14 -12.621 -11.394 -3.018 143 HD22 ASN 14 2HD2 ASN 14 -13.688 -12.718 -2.718 144 H VAL 15 H VAL 15 -15.914 -7.537 -2.821 145 HA VAL 15 HA VAL 15 -18.379 -8.572 -2.144 146 HB VAL 15 HB VAL 15 -17.670 -5.636 -2.100 147 HG11 VAL 15 1HG1 VAL 15 -19.817 -5.540 -1.421 148 HG12 VAL 15 2HG1 VAL 15 -19.871 -7.252 -0.998 149 HG13 VAL 15 3HG1 VAL 15 -19.146 -6.091 0.114 150 HG21 VAL 15 3HG2 VAL 15 -16.041 -6.172 -0.682 151 HG22 VAL 15 1HG2 VAL 15 -17.282 -6.742 0.434 152 HG23 VAL 15 2HG2 VAL 15 -16.518 -7.869 -0.687 153 H ARG 16 H ARG 16 -17.789 -5.815 -4.334 154 HA ARG 16 HA ARG 16 -20.390 -5.351 -5.130 155 HB2 ARG 16 2HB ARG 16 -17.838 -5.095 -6.727 156 HB3 ARG 16 3HB ARG 16 -19.389 -4.444 -7.240 157 HG2 ARG 16 2HG ARG 16 -18.230 -3.694 -4.588 158 HG3 ARG 16 3HG ARG 16 -17.697 -2.893 -6.067 159 HD2 ARG 16 2HD ARG 16 -20.381 -2.780 -6.375 160 HD3 ARG 16 3HD ARG 16 -20.253 -2.701 -4.618 161 HE ARG 16 HE ARG 16 -18.425 -0.886 -5.649 162 HH11 ARG 16 1HH1 ARG 16 -21.873 -1.363 -5.629 163 HH12 ARG 16 2HH1 ARG 16 -22.239 0.327 -5.738 164 HH21 ARG 16 1HH2 ARG 16 -18.893 1.341 -5.793 165 HH22 ARG 16 2HH2 ARG 16 -20.543 1.864 -5.832 166 H ASP 17 H ASP 17 -18.003 -7.358 -6.865 167 HA ASP 17 HA ASP 17 -19.695 -8.346 -8.826 168 HB2 ASP 17 2HB ASP 17 -17.165 -8.615 -8.635 169 HB3 ASP 17 3HB ASP 17 -17.492 -9.974 -7.563 170 H GLY 18 H GLY 18 -19.104 -9.557 -5.555 171 HA2 GLY 18 2HA GLY 18 -20.628 -11.929 -5.808 172 HA3 GLY 18 3HA GLY 18 -20.192 -11.142 -4.298 173 H ILE 19 H ILE 19 -21.473 -8.683 -4.662 174 HA ILE 19 HA ILE 19 -24.130 -9.383 -3.913 175 HB ILE 19 HB ILE 19 -22.968 -6.665 -4.535 176 HG12 ILE 19 2HG1 ILE 19 -23.512 -7.798 -1.802 177 HG13 ILE 19 3HG1 ILE 19 -21.987 -8.111 -2.623 178 HG21 ILE 19 1HG2 ILE 19 -24.932 -6.052 -2.906 179 HG22 ILE 19 2HG2 ILE 19 -25.222 -6.258 -4.633 180 HG23 ILE 19 3HG2 ILE 19 -25.618 -7.560 -3.511 181 HD11 ILE 19 3HD1 ILE 19 -21.464 -5.784 -2.674 182 HD12 ILE 19 1HD1 ILE 19 -23.065 -5.360 -2.070 183 HD13 ILE 19 2HD1 ILE 19 -21.927 -6.213 -1.027 184 H ILE 20 H ILE 20 -22.649 -8.096 -6.834 185 HA ILE 20 HA ILE 20 -25.123 -7.541 -8.156 186 HB ILE 20 HB ILE 20 -22.355 -7.890 -9.314 187 HG12 ILE 20 2HG1 ILE 20 -23.787 -5.281 -8.899 188 HG13 ILE 20 3HG1 ILE 20 -22.865 -6.012 -7.589 189 HG21 ILE 20 1HG2 ILE 20 -23.745 -6.238 -10.997 190 HG22 ILE 20 2HG2 ILE 20 -23.451 -7.956 -11.261 191 HG23 ILE 20 3HG2 ILE 20 -24.966 -7.423 -10.532 192 HD11 ILE 20 3HD1 ILE 20 -21.637 -5.543 -10.276 193 HD12 ILE 20 1HD1 ILE 20 -21.717 -4.267 -9.062 194 HD13 ILE 20 2HD1 ILE 20 -20.848 -5.762 -8.715 195 H LYS 21 H LYS 21 -22.743 -10.168 -8.334 196 HA LYS 21 HA LYS 21 -23.837 -11.654 -10.393 197 HB2 LYS 21 2HB LYS 21 -21.675 -12.134 -9.271 198 HB3 LYS 21 3HB LYS 21 -22.559 -12.746 -7.879 199 HG2 LYS 21 2HG LYS 21 -23.320 -14.620 -9.031 200 HG3 LYS 21 3HG LYS 21 -22.984 -13.903 -10.608 201 HD2 LYS 21 2HD LYS 21 -20.571 -14.037 -9.057 202 HD3 LYS 21 3HD LYS 21 -21.340 -15.625 -9.114 203 HE2 LYS 21 2HE LYS 21 -21.595 -14.945 -11.683 204 HE3 LYS 21 3HE LYS 21 -20.162 -13.996 -11.292 205 HZ1 LYS 21 3HZ LYS 21 -19.212 -16.111 -10.365 206 HZ2 LYS 21 1HZ LYS 21 -19.406 -16.078 -12.045 207 HZ3 LYS 21 2HZ LYS 21 -20.505 -16.930 -11.084 208 H ALA 22 H ALA 22 -24.286 -12.508 -6.961 209 HA ALA 22 HA ALA 22 -26.852 -13.731 -7.661 210 HB1 ALA 22 1HB ALA 22 -25.942 -15.329 -6.381 211 HB2 ALA 22 2HB ALA 22 -24.811 -14.212 -5.616 212 HB3 ALA 22 3HB ALA 22 -26.472 -14.324 -5.032 213 H GLY 23 H GLY 23 -25.659 -11.939 -4.810 214 HA2 GLY 23 2HA GLY 23 -26.579 -9.858 -4.077 215 HA3 GLY 23 3HA GLY 23 -28.045 -10.230 -4.972 216 HA PRO 24 HA PRO 24 -28.201 -12.979 -0.995 217 HB2 PRO 24 2HB PRO 24 -26.285 -12.529 0.875 218 HB3 PRO 24 3HB PRO 24 -26.101 -13.715 -0.423 219 HG2 PRO 24 2HG PRO 24 -25.030 -10.926 -0.240 220 HG3 PRO 24 3HG PRO 24 -24.223 -12.400 -0.807 221 HD2 PRO 24 2HD PRO 24 -25.256 -10.560 -2.504 222 HD3 PRO 24 3HD PRO 24 -25.213 -12.294 -2.886 223 H ALA 25 H ALA 25 -28.880 -12.526 1.258 224 HA ALA 25 HA ALA 25 -29.671 -9.715 1.518 225 HB1 ALA 25 1HB ALA 25 -31.639 -10.776 1.771 226 HB2 ALA 25 2HB ALA 25 -30.881 -12.288 2.273 227 HB3 ALA 25 3HB ALA 25 -31.091 -10.979 3.436 228 H VAL 26 H VAL 26 -28.060 -12.323 3.254 229 HA VAL 26 HA VAL 26 -27.783 -11.150 5.756 230 HB VAL 26 HB VAL 26 -25.776 -12.917 4.348 231 HG11 VAL 26 1HG1 VAL 26 -25.418 -13.563 6.870 232 HG12 VAL 26 2HG1 VAL 26 -24.591 -12.172 6.165 233 HG13 VAL 26 3HG1 VAL 26 -26.037 -11.935 7.148 234 HG21 VAL 26 3HG2 VAL 26 -28.424 -13.444 5.268 235 HG22 VAL 26 1HG2 VAL 26 -27.264 -14.553 4.535 236 HG23 VAL 26 2HG2 VAL 26 -27.281 -14.323 6.284 237 H ALA 27 H ALA 27 -25.414 -11.096 3.087 238 HA ALA 27 HA ALA 27 -23.572 -9.379 4.260 239 HB1 ALA 27 1HB ALA 27 -22.494 -9.793 2.367 240 HB2 ALA 27 2HB ALA 27 -23.941 -10.578 1.735 241 HB3 ALA 27 3HB ALA 27 -23.678 -8.857 1.455 242 H VAL 28 H VAL 28 -26.254 -8.563 2.059 243 HA VAL 28 HA VAL 28 -25.877 -5.805 2.001 244 HB VAL 28 HB VAL 28 -28.493 -7.308 1.841 245 HG11 VAL 28 1HG1 VAL 28 -29.144 -5.275 0.457 246 HG12 VAL 28 2HG1 VAL 28 -29.039 -5.048 2.204 247 HG13 VAL 28 3HG1 VAL 28 -27.735 -4.481 1.159 248 HG21 VAL 28 3HG2 VAL 28 -28.181 -7.353 -0.525 249 HG22 VAL 28 1HG2 VAL 28 -26.740 -6.342 -0.411 250 HG23 VAL 28 2HG2 VAL 28 -26.713 -7.992 0.213 251 H VAL 29 H VAL 29 -28.297 -7.553 3.960 252 HA VAL 29 HA VAL 29 -29.144 -5.440 5.519 253 HB VAL 29 HB VAL 29 -28.864 -8.323 6.379 254 HG11 VAL 29 1HG1 VAL 29 -30.972 -7.459 7.754 255 HG12 VAL 29 2HG1 VAL 29 -29.326 -7.346 8.380 256 HG13 VAL 29 3HG1 VAL 29 -30.089 -5.937 7.642 257 HG21 VAL 29 3HG2 VAL 29 -30.563 -8.794 5.026 258 HG22 VAL 29 1HG2 VAL 29 -31.534 -7.513 5.751 259 HG23 VAL 29 2HG2 VAL 29 -30.476 -7.153 4.386 260 H GLY 30 H GLY 30 -26.585 -7.795 6.322 261 HA2 GLY 30 2HA GLY 30 -25.818 -6.699 8.764 262 HA3 GLY 30 3HA GLY 30 -24.765 -7.628 7.709 263 H GLN 31 H GLN 31 -24.188 -6.194 5.629 264 HA GLN 31 HA GLN 31 -22.374 -4.282 6.464 265 HB2 GLN 31 2HB GLN 31 -22.366 -5.397 4.244 266 HB3 GLN 31 3HB GLN 31 -23.731 -4.398 3.765 267 HG2 GLN 31 2HG GLN 31 -22.465 -2.516 3.556 268 HG3 GLN 31 3HG GLN 31 -21.288 -3.039 4.759 269 HE21 GLN 31 1HE2 GLN 31 -19.595 -4.359 4.145 270 HE22 GLN 31 2HE2 GLN 31 -19.180 -4.633 2.491 271 H ALA 32 H ALA 32 -25.511 -3.663 4.879 272 HA ALA 32 HA ALA 32 -25.519 -0.904 5.068 273 HB1 ALA 32 1HB ALA 32 -27.936 -1.023 4.850 274 HB2 ALA 32 2HB ALA 32 -27.161 -2.196 3.785 275 HB3 ALA 32 3HB ALA 32 -27.909 -2.730 5.290 276 H ALA 33 H ALA 33 -27.027 -3.195 7.353 277 HA ALA 33 HA ALA 33 -27.883 -1.359 9.244 278 HB1 ALA 33 1HB ALA 33 -28.519 -3.723 9.256 279 HB2 ALA 33 2HB ALA 33 -26.884 -4.159 9.754 280 HB3 ALA 33 3HB ALA 33 -27.908 -3.206 10.828 281 H THR 34 H THR 34 -24.741 -2.977 8.970 282 HA THR 34 HA THR 34 -23.631 -1.935 11.346 283 HB THR 34 HB THR 34 -22.178 -2.804 8.839 284 HG1 THR 34 HG1 THR 34 -22.502 -4.795 9.513 285 HG21 THR 34 3HG2 THR 34 -20.410 -1.972 9.956 286 HG22 THR 34 1HG2 THR 34 -20.573 -3.411 10.962 287 HG23 THR 34 2HG2 THR 34 -21.291 -1.886 11.481 288 H VAL 35 H VAL 35 -23.579 -0.796 7.995 289 HA VAL 35 HA VAL 35 -21.838 1.395 8.452 290 HB VAL 35 HB VAL 35 -23.894 1.024 6.269 291 HG11 VAL 35 1HG1 VAL 35 -23.372 3.293 6.219 292 HG12 VAL 35 2HG1 VAL 35 -21.690 3.015 6.675 293 HG13 VAL 35 3HG1 VAL 35 -22.248 2.589 5.056 294 HG21 VAL 35 3HG2 VAL 35 -22.529 -0.497 5.400 295 HG22 VAL 35 1HG2 VAL 35 -21.221 0.686 5.373 296 HG23 VAL 35 2HG2 VAL 35 -21.457 -0.336 6.791 297 H VAL 36 H VAL 36 -25.345 1.026 8.518 298 HA VAL 36 HA VAL 36 -25.890 3.811 8.851 299 HB VAL 36 HB VAL 36 -27.641 1.422 9.453 300 HG11 VAL 36 1HG1 VAL 36 -29.491 3.088 9.227 301 HG12 VAL 36 2HG1 VAL 36 -28.472 3.316 10.650 302 HG13 VAL 36 3HG1 VAL 36 -28.271 4.361 9.243 303 HG21 VAL 36 3HG2 VAL 36 -26.706 2.319 7.004 304 HG22 VAL 36 1HG2 VAL 36 -28.102 1.276 7.277 305 HG23 VAL 36 2HG2 VAL 36 -28.320 3.020 7.130 306 H LYS 37 H LYS 37 -26.135 1.041 11.089 307 HA LYS 37 HA LYS 37 -26.081 2.913 13.342 308 HB2 LYS 37 2HB LYS 37 -27.454 0.478 12.836 309 HB3 LYS 37 3HB LYS 37 -26.360 0.194 14.183 310 HG2 LYS 37 2HG LYS 37 -28.418 0.879 15.111 311 HG3 LYS 37 3HG LYS 37 -27.320 2.253 15.259 312 HD2 LYS 37 2HD LYS 37 -28.389 2.865 12.904 313 HD3 LYS 37 3HD LYS 37 -29.725 1.909 13.549 314 HE2 LYS 37 2HE LYS 37 -30.335 3.920 14.397 315 HE3 LYS 37 3HE LYS 37 -29.232 3.436 15.684 316 HZ1 LYS 37 3HZ LYS 37 -28.679 5.638 15.078 317 HZ2 LYS 37 1HZ LYS 37 -28.675 5.274 13.426 318 HZ3 LYS 37 2HZ LYS 37 -27.464 4.655 14.431 319 HN1 NH2 38 HN1 NH2 38 -24.507 -0.567 13.337 Start of MODEL 2 1 H1 ARG 1 H ARG 1 1.445 -0.345 1.137 2 HA ARG 1 HA ARG 1 0.695 0.351 -1.193 3 HB2 ARG 1 2HB ARG 1 3.584 -0.406 -1.647 4 HB3 ARG 1 3HB ARG 1 2.403 -0.228 -2.938 5 HG2 ARG 1 2HG ARG 1 3.350 1.836 -2.997 6 HG3 ARG 1 3HG ARG 1 2.062 2.140 -1.830 7 HD2 ARG 1 2HD ARG 1 4.370 1.115 -0.478 8 HD3 ARG 1 3HD ARG 1 4.835 2.486 -1.485 9 HE ARG 1 HE ARG 1 2.558 3.263 -0.136 10 HH11 ARG 1 1HH1 ARG 1 5.777 2.225 0.689 11 HH12 ARG 1 2HH1 ARG 1 5.840 3.147 2.154 12 HH21 ARG 1 1HH2 ARG 1 2.629 4.482 1.791 13 HH22 ARG 1 2HH2 ARG 1 4.048 4.430 2.781 14 H TRP 2 H TRP 2 0.003 -1.635 0.472 15 HA TRP 2 HA TRP 2 -0.099 -3.923 -1.318 16 HB2 TRP 2 2HB TRP 2 1.819 -4.516 0.002 17 HB3 TRP 2 3HB TRP 2 0.991 -4.084 1.495 18 HD1 TRP 2 HD1 TRP 2 0.924 -6.785 -1.259 19 HE1 TRP 2 HE1 TRP 2 -0.119 -8.919 -0.266 20 HE3 TRP 2 HE3 TRP 2 -0.448 -4.965 3.318 21 HZ2 TRP 2 HZ2 TRP 2 -1.359 -9.724 2.138 22 HZ3 TRP 2 HZ3 TRP 2 -1.558 -6.482 4.906 23 HH2 TRP 2 HH2 TRP 2 -2.003 -8.811 4.326 24 H LYS 3 H LYS 3 -0.925 -3.024 2.037 25 HA LYS 3 HA LYS 3 -3.264 -4.498 2.246 26 HB2 LYS 3 2HB LYS 3 -1.883 -2.797 3.887 27 HB3 LYS 3 3HB LYS 3 -3.353 -1.881 3.583 28 HG2 LYS 3 2HG LYS 3 -3.569 -4.744 4.372 29 HG3 LYS 3 3HG LYS 3 -3.197 -3.532 5.600 30 HD2 LYS 3 2HD LYS 3 -5.209 -2.294 5.012 31 HD3 LYS 3 3HD LYS 3 -5.569 -3.457 3.734 32 HE2 LYS 3 2HE LYS 3 -5.243 -5.036 5.974 33 HE3 LYS 3 3HE LYS 3 -6.069 -3.608 6.596 34 HZ1 LYS 3 3HZ LYS 3 -7.188 -4.547 4.133 35 HZ2 LYS 3 1HZ LYS 3 -7.953 -4.200 5.602 36 HZ3 LYS 3 2HZ LYS 3 -7.250 -5.718 5.352 37 H ILE 4 H ILE 4 -3.028 -1.011 1.516 38 HA ILE 4 HA ILE 4 -5.717 -0.605 0.920 39 HB ILE 4 HB ILE 4 -3.358 0.832 -0.303 40 HG12 ILE 4 2HG1 ILE 4 -4.464 2.424 1.686 41 HG13 ILE 4 3HG1 ILE 4 -4.475 0.810 2.390 42 HG21 ILE 4 1HG2 ILE 4 -6.293 1.391 -0.213 43 HG22 ILE 4 2HG2 ILE 4 -5.138 2.721 -0.289 44 HG23 ILE 4 3HG2 ILE 4 -5.171 1.509 -1.569 45 HD11 ILE 4 3HD1 ILE 4 -2.034 0.671 1.695 46 HD12 ILE 4 1HD1 ILE 4 -2.134 2.411 1.428 47 HD13 ILE 4 2HD1 ILE 4 -2.437 1.746 3.033 48 H PHE 5 H PHE 5 -3.028 -1.201 -1.346 49 HA PHE 5 HA PHE 5 -4.456 -1.231 -3.707 50 HB2 PHE 5 2HB PHE 5 -1.944 -1.401 -3.414 51 HB3 PHE 5 3HB PHE 5 -2.177 -3.118 -3.105 52 HD1 PHE 5 HD1 PHE 5 -3.178 -0.556 -5.628 53 HD2 PHE 5 HD2 PHE 5 -1.901 -4.545 -4.875 54 HE1 PHE 5 HE1 PHE 5 -3.124 -0.992 -8.049 55 HE2 PHE 5 HE2 PHE 5 -1.843 -4.987 -7.294 56 HZ PHE 5 HZ PHE 5 -2.454 -3.209 -8.885 57 H LYS 6 H LYS 6 -3.532 -4.132 -1.844 58 HA LYS 6 HA LYS 6 -5.037 -5.974 -3.266 59 HB2 LYS 6 2HB LYS 6 -3.306 -6.442 -1.482 60 HB3 LYS 6 3HB LYS 6 -4.552 -6.101 -0.289 61 HG2 LYS 6 2HG LYS 6 -5.625 -7.969 -2.118 62 HG3 LYS 6 3HG LYS 6 -4.013 -8.528 -1.666 63 HD2 LYS 6 2HD LYS 6 -6.020 -7.620 0.380 64 HD3 LYS 6 3HD LYS 6 -5.970 -9.284 -0.208 65 HE2 LYS 6 2HE LYS 6 -3.658 -7.815 1.056 66 HE3 LYS 6 3HE LYS 6 -4.703 -8.965 1.888 67 HZ1 LYS 6 3HZ LYS 6 -3.135 -10.422 1.264 68 HZ2 LYS 6 1HZ LYS 6 -2.551 -9.446 0.011 69 HZ3 LYS 6 2HZ LYS 6 -3.929 -10.397 -0.230 70 H LYS 7 H LYS 7 -5.962 -4.129 -0.372 71 HA LYS 7 HA LYS 7 -8.504 -5.190 0.001 72 HB2 LYS 7 2HB LYS 7 -7.330 -3.666 1.580 73 HB3 LYS 7 3HB LYS 7 -7.656 -2.328 0.486 74 HG2 LYS 7 2HG LYS 7 -9.984 -2.460 0.865 75 HG3 LYS 7 3HG LYS 7 -9.833 -4.019 1.680 76 HD2 LYS 7 2HD LYS 7 -8.628 -2.967 3.512 77 HD3 LYS 7 3HD LYS 7 -8.697 -1.409 2.685 78 HE2 LYS 7 2HE LYS 7 -11.312 -2.654 2.981 79 HE3 LYS 7 3HE LYS 7 -10.517 -2.360 4.526 80 HZ1 LYS 7 3HZ LYS 7 -11.270 -0.402 2.447 81 HZ2 LYS 7 1HZ LYS 7 -10.100 -0.035 3.613 82 HZ3 LYS 7 2HZ LYS 7 -11.680 -0.410 4.088 83 H ILE 8 H ILE 8 -7.831 -2.030 -1.517 84 HA ILE 8 HA ILE 8 -10.339 -1.575 -2.569 85 HB ILE 8 HB ILE 8 -7.699 -0.782 -3.803 86 HG12 ILE 8 2HG1 ILE 8 -7.975 -0.058 -1.453 87 HG13 ILE 8 3HG1 ILE 8 -7.962 1.302 -2.570 88 HG21 ILE 8 1HG2 ILE 8 -9.029 -0.139 -5.495 89 HG22 ILE 8 2HG2 ILE 8 -10.490 -0.229 -4.513 90 HG23 ILE 8 3HG2 ILE 8 -9.453 1.195 -4.421 91 HD11 ILE 8 3HD1 ILE 8 -10.443 0.060 -1.407 92 HD12 ILE 8 1HD1 ILE 8 -9.652 1.513 -0.794 93 HD13 ILE 8 2HD1 ILE 8 -10.354 1.506 -2.413 94 H GLU 9 H GLU 9 -7.626 -3.318 -4.045 95 HA GLU 9 HA GLU 9 -8.783 -3.783 -6.549 96 HB2 GLU 9 2HB GLU 9 -6.397 -4.170 -6.011 97 HB3 GLU 9 3HB GLU 9 -6.858 -5.564 -5.045 98 HG2 GLU 9 2HG GLU 9 -6.178 -6.485 -7.060 99 HG3 GLU 9 3HG GLU 9 -7.936 -6.457 -7.185 100 H LYS 10 H LYS 10 -8.866 -5.731 -3.584 101 HA LYS 10 HA LYS 10 -10.405 -7.842 -4.688 102 HB2 LYS 10 2HB LYS 10 -8.972 -7.787 -2.524 103 HB3 LYS 10 3HB LYS 10 -10.418 -7.129 -1.769 104 HG2 LYS 10 2HG LYS 10 -11.452 -9.279 -3.040 105 HG3 LYS 10 3HG LYS 10 -9.828 -9.860 -2.668 106 HD2 LYS 10 2HD LYS 10 -10.219 -9.096 -0.300 107 HD3 LYS 10 3HD LYS 10 -11.904 -8.821 -0.746 108 HE2 LYS 10 2HE LYS 10 -12.163 -10.948 -0.048 109 HE3 LYS 10 3HE LYS 10 -11.566 -11.335 -1.661 110 HZ1 LYS 10 3HZ LYS 10 -9.393 -10.912 0.091 111 HZ2 LYS 10 1HZ LYS 10 -9.802 -12.307 -0.775 112 HZ3 LYS 10 2HZ LYS 10 -10.444 -12.051 0.768 113 H VAL 11 H VAL 11 -11.226 -4.874 -2.972 114 HA VAL 11 HA VAL 11 -13.936 -5.371 -2.508 115 HB VAL 11 HB VAL 11 -12.601 -2.723 -3.087 116 HG11 VAL 11 1HG1 VAL 11 -14.841 -2.223 -3.302 117 HG12 VAL 11 2HG1 VAL 11 -15.337 -3.458 -2.143 118 HG13 VAL 11 3HG1 VAL 11 -14.587 -1.965 -1.576 119 HG21 VAL 11 3HG2 VAL 11 -12.225 -4.480 -0.953 120 HG22 VAL 11 1HG2 VAL 11 -11.744 -2.786 -1.035 121 HG23 VAL 11 2HG2 VAL 11 -13.301 -3.227 -0.335 122 H GLY 12 H GLY 12 -12.254 -4.251 -5.383 123 HA2 GLY 12 2HA GLY 12 -14.442 -3.322 -6.861 124 HA3 GLY 12 3HA GLY 12 -12.959 -3.968 -7.548 125 H ARG 13 H ARG 13 -13.001 -6.577 -6.795 126 HA ARG 13 HA ARG 13 -15.041 -7.631 -8.533 127 HB2 ARG 13 2HB ARG 13 -13.913 -9.756 -8.266 128 HB3 ARG 13 3HB ARG 13 -12.721 -8.494 -8.549 129 HG2 ARG 13 2HG ARG 13 -12.276 -8.415 -6.124 130 HG3 ARG 13 3HG ARG 13 -13.408 -9.751 -5.902 131 HD2 ARG 13 2HD ARG 13 -11.921 -10.941 -7.678 132 HD3 ARG 13 3HD ARG 13 -10.722 -9.735 -7.215 133 HE ARG 13 HE ARG 13 -10.436 -10.829 -5.220 134 HH11 ARG 13 1HH1 ARG 13 -13.328 -11.993 -6.770 135 HH12 ARG 13 2HH1 ARG 13 -13.563 -13.292 -5.649 136 HH21 ARG 13 1HH2 ARG 13 -10.735 -12.536 -3.736 137 HH22 ARG 13 2HH2 ARG 13 -12.088 -13.599 -3.923 138 H ASN 14 H ASN 14 -14.373 -7.573 -5.089 139 HA ASN 14 HA ASN 14 -16.125 -9.545 -4.209 140 HB2 ASN 14 2HB ASN 14 -14.636 -8.614 -2.617 141 HB3 ASN 14 3HB ASN 14 -15.191 -6.974 -2.940 142 HD21 ASN 14 1HD2 ASN 14 -16.483 -6.152 -1.476 143 HD22 ASN 14 2HD2 ASN 14 -17.517 -7.037 -0.411 144 H VAL 15 H VAL 15 -16.788 -6.037 -4.225 145 HA VAL 15 HA VAL 15 -19.482 -6.141 -3.646 146 HB VAL 15 HB VAL 15 -18.198 -4.162 -5.532 147 HG11 VAL 15 1HG1 VAL 15 -20.816 -4.354 -4.200 148 HG12 VAL 15 2HG1 VAL 15 -20.031 -2.777 -4.113 149 HG13 VAL 15 3HG1 VAL 15 -20.353 -3.517 -5.681 150 HG21 VAL 15 3HG2 VAL 15 -18.457 -3.136 -2.900 151 HG22 VAL 15 1HG2 VAL 15 -17.626 -4.688 -2.799 152 HG23 VAL 15 2HG2 VAL 15 -16.985 -3.410 -3.831 153 H ARG 16 H ARG 16 -18.045 -5.926 -6.906 154 HA ARG 16 HA ARG 16 -20.360 -6.110 -8.395 155 HB2 ARG 16 2HB ARG 16 -17.505 -6.719 -8.866 156 HB3 ARG 16 3HB ARG 16 -18.639 -7.482 -9.973 157 HG2 ARG 16 2HG ARG 16 -19.608 -5.224 -10.415 158 HG3 ARG 16 3HG ARG 16 -18.295 -4.540 -9.455 159 HD2 ARG 16 2HD ARG 16 -16.881 -4.685 -11.166 160 HD3 ARG 16 3HD ARG 16 -17.270 -6.387 -11.410 161 HE ARG 16 HE ARG 16 -19.381 -5.082 -12.507 162 HH11 ARG 16 1HH1 ARG 16 -15.931 -4.891 -12.930 163 HH12 ARG 16 2HH1 ARG 16 -16.030 -4.412 -14.592 164 HH21 ARG 16 1HH2 ARG 16 -19.524 -4.451 -14.695 165 HH22 ARG 16 2HH2 ARG 16 -18.074 -4.161 -15.595 166 H ASP 17 H ASP 17 -18.202 -8.835 -7.580 167 HA ASP 17 HA ASP 17 -19.778 -10.884 -8.567 168 HB2 ASP 17 2HB ASP 17 -17.527 -11.337 -7.870 169 HB3 ASP 17 3HB ASP 17 -17.883 -10.853 -6.214 170 H GLY 18 H GLY 18 -19.893 -9.314 -5.398 171 HA2 GLY 18 2HA GLY 18 -21.809 -11.047 -4.245 172 HA3 GLY 18 3HA GLY 18 -21.439 -9.416 -3.703 173 H ILE 19 H ILE 19 -22.146 -7.975 -5.985 174 HA ILE 19 HA ILE 19 -24.966 -7.813 -5.635 175 HB ILE 19 HB ILE 19 -23.212 -6.474 -7.698 176 HG12 ILE 19 2HG1 ILE 19 -24.348 -5.200 -5.222 177 HG13 ILE 19 3HG1 ILE 19 -22.822 -6.075 -5.166 178 HG21 ILE 19 1HG2 ILE 19 -25.201 -4.797 -7.574 179 HG22 ILE 19 2HG2 ILE 19 -25.329 -6.238 -8.580 180 HG23 ILE 19 3HG2 ILE 19 -26.101 -6.199 -6.995 181 HD11 ILE 19 3HD1 ILE 19 -22.645 -3.596 -5.459 182 HD12 ILE 19 1HD1 ILE 19 -21.802 -4.562 -6.671 183 HD13 ILE 19 2HD1 ILE 19 -23.348 -3.808 -7.062 184 H ILE 20 H ILE 20 -22.869 -9.157 -8.117 185 HA ILE 20 HA ILE 20 -24.973 -9.670 -9.985 186 HB ILE 20 HB ILE 20 -22.202 -10.861 -9.831 187 HG12 ILE 20 2HG1 ILE 20 -23.126 -8.734 -11.745 188 HG13 ILE 20 3HG1 ILE 20 -22.534 -8.308 -10.143 189 HG21 ILE 20 1HG2 ILE 20 -23.189 -10.826 -12.471 190 HG22 ILE 20 2HG2 ILE 20 -22.828 -12.226 -11.462 191 HG23 ILE 20 3HG2 ILE 20 -24.449 -11.531 -11.459 192 HD11 ILE 20 3HD1 ILE 20 -20.811 -10.120 -11.683 193 HD12 ILE 20 1HD1 ILE 20 -20.984 -8.490 -12.332 194 HD13 ILE 20 2HD1 ILE 20 -20.398 -8.727 -10.685 195 H LYS 21 H LYS 21 -23.020 -11.796 -7.890 196 HA LYS 21 HA LYS 21 -24.311 -14.187 -8.422 197 HB2 LYS 21 2HB LYS 21 -22.257 -14.112 -7.142 198 HB3 LYS 21 3HB LYS 21 -23.052 -13.226 -5.848 199 HG2 LYS 21 2HG LYS 21 -24.519 -15.606 -6.267 200 HG3 LYS 21 3HG LYS 21 -22.807 -16.034 -6.202 201 HD2 LYS 21 2HD LYS 21 -22.550 -15.067 -4.058 202 HD3 LYS 21 3HD LYS 21 -24.111 -14.248 -4.160 203 HE2 LYS 21 2HE LYS 21 -23.726 -17.239 -4.069 204 HE3 LYS 21 3HE LYS 21 -24.147 -16.233 -2.684 205 HZ1 LYS 21 3HZ LYS 21 -26.230 -16.738 -3.292 206 HZ2 LYS 21 1HZ LYS 21 -25.800 -17.142 -4.877 207 HZ3 LYS 21 2HZ LYS 21 -26.025 -15.522 -4.449 208 H ALA 22 H ALA 22 -24.821 -12.427 -5.371 209 HA ALA 22 HA ALA 22 -27.526 -13.511 -5.238 210 HB1 ALA 22 1HB ALA 22 -26.318 -13.774 -3.224 211 HB2 ALA 22 2HB ALA 22 -25.792 -12.090 -3.233 212 HB3 ALA 22 3HB ALA 22 -27.484 -12.483 -2.931 213 H GLY 23 H GLY 23 -26.277 -10.335 -4.228 214 HA2 GLY 23 2HA GLY 23 -27.585 -8.745 -6.093 215 HA3 GLY 23 3HA GLY 23 -28.731 -9.025 -4.790 216 HA PRO 24 HA PRO 24 -26.084 -5.315 -3.785 217 HB2 PRO 24 2HB PRO 24 -28.162 -3.631 -3.318 218 HB3 PRO 24 3HB PRO 24 -27.457 -3.866 -4.922 219 HG2 PRO 24 2HG PRO 24 -29.928 -5.076 -3.743 220 HG3 PRO 24 3HG PRO 24 -29.673 -4.414 -5.368 221 HD2 PRO 24 2HD PRO 24 -29.628 -7.073 -4.854 222 HD3 PRO 24 3HD PRO 24 -28.631 -6.328 -6.120 223 H ALA 25 H ALA 25 -28.869 -6.848 -2.317 224 HA ALA 25 HA ALA 25 -28.926 -5.678 0.182 225 HB1 ALA 25 1HB ALA 25 -30.531 -7.374 -0.682 226 HB2 ALA 25 2HB ALA 25 -29.326 -8.617 -0.347 227 HB3 ALA 25 3HB ALA 25 -30.001 -7.665 0.975 228 H VAL 26 H VAL 26 -26.730 -8.129 -1.064 229 HA VAL 26 HA VAL 26 -25.533 -9.002 1.273 230 HB VAL 26 HB VAL 26 -24.165 -8.513 -1.377 231 HG11 VAL 26 1HG1 VAL 26 -22.875 -10.612 -0.370 232 HG12 VAL 26 2HG1 VAL 26 -22.372 -8.952 -0.048 233 HG13 VAL 26 3HG1 VAL 26 -23.330 -9.831 1.144 234 HG21 VAL 26 3HG2 VAL 26 -25.584 -10.072 -2.122 235 HG22 VAL 26 1HG2 VAL 26 -24.655 -11.210 -1.146 236 HG23 VAL 26 2HG2 VAL 26 -26.123 -10.482 -0.494 237 H ALA 27 H ALA 27 -24.542 -6.260 -0.775 238 HA ALA 27 HA ALA 27 -22.453 -5.411 0.940 239 HB1 ALA 27 1HB ALA 27 -23.822 -3.471 -0.853 240 HB2 ALA 27 2HB ALA 27 -22.101 -3.715 -0.555 241 HB3 ALA 27 3HB ALA 27 -22.988 -4.848 -1.575 242 H VAL 28 H VAL 28 -25.789 -4.267 0.482 243 HA VAL 28 HA VAL 28 -25.764 -2.139 2.262 244 HB VAL 28 HB VAL 28 -28.079 -4.009 1.740 245 HG11 VAL 28 1HG1 VAL 28 -27.824 -1.354 3.067 246 HG12 VAL 28 2HG1 VAL 28 -29.285 -1.710 2.143 247 HG13 VAL 28 3HG1 VAL 28 -28.825 -2.740 3.499 248 HG21 VAL 28 3HG2 VAL 28 -26.686 -2.320 -0.041 249 HG22 VAL 28 1HG2 VAL 28 -28.194 -3.192 -0.320 250 HG23 VAL 28 2HG2 VAL 28 -28.231 -1.544 0.307 251 H VAL 29 H VAL 29 -26.363 -5.574 2.875 252 HA VAL 29 HA VAL 29 -26.892 -5.183 5.671 253 HB VAL 29 HB VAL 29 -26.280 -7.723 4.154 254 HG11 VAL 29 1HG1 VAL 29 -27.120 -7.193 6.980 255 HG12 VAL 29 2HG1 VAL 29 -27.538 -8.708 6.178 256 HG13 VAL 29 3HG1 VAL 29 -25.846 -8.252 6.377 257 HG21 VAL 29 3HG2 VAL 29 -28.365 -7.645 3.392 258 HG22 VAL 29 1HG2 VAL 29 -28.981 -7.517 5.039 259 HG23 VAL 29 2HG2 VAL 29 -28.567 -6.059 4.136 260 H GLY 30 H GLY 30 -24.208 -6.651 3.835 261 HA2 GLY 30 2HA GLY 30 -22.536 -7.251 5.967 262 HA3 GLY 30 3HA GLY 30 -21.980 -6.869 4.344 263 H GLN 31 H GLN 31 -22.534 -4.272 4.008 264 HA GLN 31 HA GLN 31 -20.486 -2.945 5.316 265 HB2 GLN 31 2HB GLN 31 -21.594 -2.192 3.217 266 HB3 GLN 31 3HB GLN 31 -22.979 -1.679 4.170 267 HG2 GLN 31 2HG GLN 31 -21.878 0.299 3.981 268 HG3 GLN 31 3HG GLN 31 -21.160 -0.304 5.473 269 HE21 GLN 31 1HE2 GLN 31 -20.679 -0.293 1.967 270 HE22 GLN 31 2HE2 GLN 31 -18.954 -0.229 2.028 271 H ALA 32 H ALA 32 -23.964 -2.367 5.872 272 HA ALA 32 HA ALA 32 -23.732 -0.796 8.131 273 HB1 ALA 32 1HB ALA 32 -25.885 -2.644 7.173 274 HB2 ALA 32 2HB ALA 32 -26.048 -1.782 8.703 275 HB3 ALA 32 3HB ALA 32 -25.858 -0.881 7.199 276 H ALA 33 H ALA 33 -24.207 -4.328 8.012 277 HA ALA 33 HA ALA 33 -24.198 -4.852 10.727 278 HB1 ALA 33 1HB ALA 33 -23.027 -6.587 8.556 279 HB2 ALA 33 2HB ALA 33 -23.539 -7.120 10.158 280 HB3 ALA 33 3HB ALA 33 -24.731 -6.517 9.006 281 H THR 34 H THR 34 -21.428 -4.658 8.513 282 HA THR 34 HA THR 34 -19.463 -5.273 10.454 283 HB THR 34 HB THR 34 -19.170 -3.735 7.866 284 HG1 THR 34 HG1 THR 34 -18.935 -5.665 6.937 285 HG21 THR 34 3HG2 THR 34 -17.100 -5.036 9.637 286 HG22 THR 34 1HG2 THR 34 -17.280 -3.311 9.324 287 HG23 THR 34 2HG2 THR 34 -16.790 -4.398 8.023 288 H VAL 35 H VAL 35 -20.819 -2.227 9.282 289 HA VAL 35 HA VAL 35 -19.045 -0.516 10.665 290 HB VAL 35 HB VAL 35 -21.880 0.019 9.764 291 HG11 VAL 35 1HG1 VAL 35 -19.901 1.650 11.164 292 HG12 VAL 35 2HG1 VAL 35 -20.534 2.403 9.699 293 HG13 VAL 35 3HG1 VAL 35 -21.638 1.887 10.974 294 HG21 VAL 35 3HG2 VAL 35 -19.842 1.279 8.190 295 HG22 VAL 35 1HG2 VAL 35 -19.554 -0.459 8.263 296 HG23 VAL 35 2HG2 VAL 35 -21.103 0.154 7.686 297 H VAL 36 H VAL 36 -22.154 -1.952 11.525 298 HA VAL 36 HA VAL 36 -22.365 -0.541 14.014 299 HB VAL 36 HB VAL 36 -23.841 -3.016 13.104 300 HG11 VAL 36 1HG1 VAL 36 -24.393 -3.008 15.297 301 HG12 VAL 36 2HG1 VAL 36 -23.993 -1.302 15.504 302 HG13 VAL 36 3HG1 VAL 36 -25.530 -1.767 14.773 303 HG21 VAL 36 3HG2 VAL 36 -25.016 -1.726 11.729 304 HG22 VAL 36 1HG2 VAL 36 -25.430 -0.649 13.063 305 HG23 VAL 36 2HG2 VAL 36 -23.964 -0.367 12.123 306 H LYS 37 H LYS 37 -21.436 -3.822 13.045 307 HA LYS 37 HA LYS 37 -21.046 -4.836 15.647 308 HB2 LYS 37 2HB LYS 37 -20.101 -5.643 12.918 309 HB3 LYS 37 3HB LYS 37 -19.457 -6.450 14.342 310 HG2 LYS 37 2HG LYS 37 -21.476 -7.420 14.874 311 HG3 LYS 37 3HG LYS 37 -22.410 -6.206 13.998 312 HD2 LYS 37 2HD LYS 37 -22.322 -7.370 12.088 313 HD3 LYS 37 3HD LYS 37 -20.600 -7.711 12.279 314 HE2 LYS 37 2HE LYS 37 -21.097 -9.542 13.781 315 HE3 LYS 37 3HE LYS 37 -22.817 -9.161 13.723 316 HZ1 LYS 37 3HZ LYS 37 -21.151 -10.524 11.766 317 HZ2 LYS 37 1HZ LYS 37 -22.322 -9.475 11.142 318 HZ3 LYS 37 2HZ LYS 37 -22.783 -10.754 12.148 319 HN1 NH2 38 HN1 NH2 38 -17.934 -4.462 13.482 Start of MODEL 3 1 H1 ARG 1 H ARG 1 1.057 -4.937 -8.237 2 HA ARG 1 HA ARG 1 3.857 -4.814 -7.645 3 HB2 ARG 1 2HB ARG 1 2.548 -2.360 -8.833 4 HB3 ARG 1 3HB ARG 1 4.174 -2.443 -8.167 5 HG2 ARG 1 2HG ARG 1 5.011 -3.219 -10.072 6 HG3 ARG 1 3HG ARG 1 3.746 -4.441 -10.217 7 HD2 ARG 1 2HD ARG 1 2.222 -2.690 -11.086 8 HD3 ARG 1 3HD ARG 1 3.562 -1.545 -11.036 9 HE ARG 1 HE ARG 1 4.303 -3.815 -12.535 10 HH11 ARG 1 1HH1 ARG 1 2.258 -1.003 -12.701 11 HH12 ARG 1 2HH1 ARG 1 2.318 -0.901 -14.430 12 HH21 ARG 1 1HH2 ARG 1 4.390 -3.691 -14.811 13 HH22 ARG 1 2HH2 ARG 1 3.530 -2.431 -15.629 14 H TRP 2 H TRP 2 4.320 -3.516 -5.772 15 HA TRP 2 HA TRP 2 3.896 -2.740 -3.677 16 HB2 TRP 2 2HB TRP 2 1.217 -1.840 -4.745 17 HB3 TRP 2 3HB TRP 2 2.096 -1.186 -3.366 18 HD1 TRP 2 HD1 TRP 2 1.768 -0.867 -7.103 19 HE1 TRP 2 HE1 TRP 2 3.323 1.003 -7.946 20 HE3 TRP 2 HE3 TRP 2 4.465 -0.069 -2.834 21 HZ2 TRP 2 HZ2 TRP 2 5.416 2.604 -6.935 22 HZ3 TRP 2 HZ3 TRP 2 6.226 1.650 -2.855 23 HH2 TRP 2 HH2 TRP 2 6.690 2.957 -4.864 24 H LYS 3 H LYS 3 3.786 -4.592 -2.499 25 HA LYS 3 HA LYS 3 1.781 -6.512 -2.538 26 HB2 LYS 3 2HB LYS 3 3.671 -5.664 -0.346 27 HB3 LYS 3 3HB LYS 3 2.582 -7.036 -0.178 28 HG2 LYS 3 2HG LYS 3 4.128 -7.134 -2.636 29 HG3 LYS 3 3HG LYS 3 5.139 -7.098 -1.190 30 HD2 LYS 3 2HD LYS 3 4.387 -9.122 -0.448 31 HD3 LYS 3 3HD LYS 3 2.797 -8.924 -1.188 32 HE2 LYS 3 2HE LYS 3 3.761 -10.587 -2.483 33 HE3 LYS 3 3HE LYS 3 4.076 -9.130 -3.425 34 HZ1 LYS 3 3HZ LYS 3 5.968 -10.649 -1.731 35 HZ2 LYS 3 1HZ LYS 3 6.293 -9.073 -2.251 36 HZ3 LYS 3 2HZ LYS 3 6.083 -10.311 -3.384 37 H ILE 4 H ILE 4 2.183 -3.888 -0.151 38 HA ILE 4 HA ILE 4 -0.208 -4.305 1.218 39 HB ILE 4 HB ILE 4 1.154 -1.644 0.793 40 HG12 ILE 4 2HG1 ILE 4 2.760 -3.283 1.612 41 HG13 ILE 4 3HG1 ILE 4 2.348 -2.156 2.901 42 HG21 ILE 4 1HG2 ILE 4 -0.593 -0.894 1.959 43 HG22 ILE 4 2HG2 ILE 4 -1.120 -2.524 2.375 44 HG23 ILE 4 3HG2 ILE 4 0.118 -1.724 3.343 45 HD11 ILE 4 3HD1 ILE 4 0.546 -4.099 3.366 46 HD12 ILE 4 1HD1 ILE 4 1.869 -5.044 2.684 47 HD13 ILE 4 2HD1 ILE 4 2.146 -4.036 4.104 48 H PHE 5 H PHE 5 0.466 -1.924 -1.352 49 HA PHE 5 HA PHE 5 -2.061 -0.846 -1.603 50 HB2 PHE 5 2HB PHE 5 0.285 -0.471 -2.893 51 HB3 PHE 5 3HB PHE 5 -0.620 -1.315 -4.145 52 HD1 PHE 5 HD1 PHE 5 -3.288 -0.348 -3.953 53 HD2 PHE 5 HD2 PHE 5 0.356 1.770 -3.367 54 HE1 PHE 5 HE1 PHE 5 -4.417 1.753 -4.556 55 HE2 PHE 5 HE2 PHE 5 -0.767 3.875 -3.968 56 HZ PHE 5 HZ PHE 5 -3.157 3.869 -4.563 57 H LYS 6 H LYS 6 -0.729 -3.463 -3.631 58 HA LYS 6 HA LYS 6 -3.064 -4.103 -4.984 59 HB2 LYS 6 2HB LYS 6 -0.797 -4.954 -5.546 60 HB3 LYS 6 3HB LYS 6 -0.881 -6.024 -4.153 61 HG2 LYS 6 2HG LYS 6 -1.596 -7.504 -5.686 62 HG3 LYS 6 3HG LYS 6 -3.154 -6.723 -5.402 63 HD2 LYS 6 2HD LYS 6 -2.318 -5.092 -7.284 64 HD3 LYS 6 3HD LYS 6 -1.281 -6.455 -7.710 65 HE2 LYS 6 2HE LYS 6 -3.000 -7.293 -8.847 66 HE3 LYS 6 3HE LYS 6 -3.797 -7.574 -7.300 67 HZ1 LYS 6 3HZ LYS 6 -3.989 -4.935 -8.589 68 HZ2 LYS 6 1HZ LYS 6 -5.054 -5.673 -7.502 69 HZ3 LYS 6 2HZ LYS 6 -4.988 -6.197 -9.108 70 H LYS 7 H LYS 7 -1.797 -5.501 -1.971 71 HA LYS 7 HA LYS 7 -3.790 -7.389 -1.527 72 HB2 LYS 7 2HB LYS 7 -1.682 -7.221 -0.233 73 HB3 LYS 7 3HB LYS 7 -2.306 -5.781 0.560 74 HG2 LYS 7 2HG LYS 7 -4.088 -7.070 1.569 75 HG3 LYS 7 3HG LYS 7 -3.552 -8.519 0.715 76 HD2 LYS 7 2HD LYS 7 -1.258 -7.820 1.939 77 HD3 LYS 7 3HD LYS 7 -2.428 -7.192 3.102 78 HE2 LYS 7 2HE LYS 7 -2.817 -9.944 2.037 79 HE3 LYS 7 3HE LYS 7 -1.546 -9.678 3.230 80 HZ1 LYS 7 3HZ LYS 7 -3.068 -9.045 4.832 81 HZ2 LYS 7 1HZ LYS 7 -3.883 -10.297 4.039 82 HZ3 LYS 7 2HZ LYS 7 -4.281 -8.687 3.709 83 H ILE 8 H ILE 8 -3.574 -4.231 0.121 84 HA ILE 8 HA ILE 8 -6.092 -4.215 1.244 85 HB ILE 8 HB ILE 8 -4.579 -1.824 0.186 86 HG12 ILE 8 2HG1 ILE 8 -3.296 -3.204 1.790 87 HG13 ILE 8 3HG1 ILE 8 -3.695 -1.620 2.447 88 HG21 ILE 8 1HG2 ILE 8 -6.065 -1.131 2.451 89 HG22 ILE 8 2HG2 ILE 8 -6.356 -0.635 0.785 90 HG23 ILE 8 3HG2 ILE 8 -7.159 -2.066 1.431 91 HD11 ILE 8 3HD1 ILE 8 -4.185 -4.141 3.575 92 HD12 ILE 8 1HD1 ILE 8 -4.674 -2.561 4.187 93 HD13 ILE 8 2HD1 ILE 8 -5.755 -3.471 3.132 94 H GLU 9 H GLU 9 -5.120 -3.057 -1.965 95 HA GLU 9 HA GLU 9 -7.587 -2.002 -2.754 96 HB2 GLU 9 2HB GLU 9 -5.460 -1.629 -3.959 97 HB3 GLU 9 3HB GLU 9 -5.488 -3.303 -4.497 98 HG2 GLU 9 2HG GLU 9 -7.928 -1.824 -5.115 99 HG3 GLU 9 3HG GLU 9 -6.479 -1.175 -5.882 100 H LYS 10 H LYS 10 -6.250 -5.263 -3.156 101 HA LYS 10 HA LYS 10 -8.474 -6.304 -4.571 102 HB2 LYS 10 2HB LYS 10 -6.152 -7.513 -3.109 103 HB3 LYS 10 3HB LYS 10 -7.465 -8.541 -3.666 104 HG2 LYS 10 2HG LYS 10 -6.581 -6.761 -5.757 105 HG3 LYS 10 3HG LYS 10 -5.245 -7.720 -5.117 106 HD2 LYS 10 2HD LYS 10 -7.847 -9.039 -5.775 107 HD3 LYS 10 3HD LYS 10 -6.704 -8.656 -7.065 108 HE2 LYS 10 2HE LYS 10 -5.651 -10.555 -6.587 109 HE3 LYS 10 3HE LYS 10 -5.169 -9.832 -5.053 110 HZ1 LYS 10 3HZ LYS 10 -6.590 -11.109 -3.928 111 HZ2 LYS 10 1HZ LYS 10 -6.659 -12.067 -5.320 112 HZ3 LYS 10 2HZ LYS 10 -7.843 -10.892 -5.043 113 H VAL 11 H VAL 11 -7.621 -6.168 -1.152 114 HA VAL 11 HA VAL 11 -9.586 -7.874 -0.138 115 HB VAL 11 HB VAL 11 -8.425 -5.400 1.153 116 HG11 VAL 11 1HG1 VAL 11 -9.901 -7.743 2.347 117 HG12 VAL 11 2HG1 VAL 11 -9.054 -6.505 3.275 118 HG13 VAL 11 3HG1 VAL 11 -10.448 -6.068 2.287 119 HG21 VAL 11 3HG2 VAL 11 -7.359 -7.753 2.261 120 HG22 VAL 11 1HG2 VAL 11 -7.288 -7.951 0.510 121 HG23 VAL 11 2HG2 VAL 11 -6.528 -6.553 1.271 122 H GLY 12 H GLY 12 -9.777 -4.570 -1.254 123 HA2 GLY 12 2HA GLY 12 -12.364 -4.066 -0.094 124 HA3 GLY 12 3HA GLY 12 -11.520 -3.045 -1.248 125 H ARG 13 H ARG 13 -11.155 -5.121 -3.225 126 HA ARG 13 HA ARG 13 -13.733 -4.917 -4.493 127 HB2 ARG 13 2HB ARG 13 -11.638 -4.624 -5.764 128 HB3 ARG 13 3HB ARG 13 -11.210 -6.297 -5.428 129 HG2 ARG 13 2HG ARG 13 -12.077 -6.173 -7.645 130 HG3 ARG 13 3HG ARG 13 -13.265 -7.001 -6.636 131 HD2 ARG 13 2HD ARG 13 -14.338 -5.395 -8.127 132 HD3 ARG 13 3HD ARG 13 -14.548 -4.937 -6.438 133 HE ARG 13 HE ARG 13 -12.273 -3.661 -7.531 134 HH11 ARG 13 1HH1 ARG 13 -15.752 -3.571 -7.583 135 HH12 ARG 13 2HH1 ARG 13 -15.833 -1.882 -7.956 136 HH21 ARG 13 1HH2 ARG 13 -12.366 -1.435 -8.022 137 HH22 ARG 13 2HH2 ARG 13 -13.907 -0.668 -8.207 138 H ASN 14 H ASN 14 -11.813 -7.417 -2.959 139 HA ASN 14 HA ASN 14 -13.139 -9.692 -3.847 140 HB2 ASN 14 2HB ASN 14 -11.074 -9.791 -2.538 141 HB3 ASN 14 3HB ASN 14 -11.923 -9.171 -1.125 142 HD21 ASN 14 1HD2 ASN 14 -13.022 -10.542 0.152 143 HD22 ASN 14 2HD2 ASN 14 -13.158 -12.241 -0.128 144 H VAL 15 H VAL 15 -13.718 -7.997 -0.758 145 HA VAL 15 HA VAL 15 -15.976 -9.365 0.037 146 HB VAL 15 HB VAL 15 -15.511 -6.411 0.461 147 HG11 VAL 15 1HG1 VAL 15 -17.404 -8.387 1.547 148 HG12 VAL 15 2HG1 VAL 15 -16.634 -7.334 2.736 149 HG13 VAL 15 3HG1 VAL 15 -17.548 -6.636 1.399 150 HG21 VAL 15 3HG2 VAL 15 -13.614 -7.063 1.458 151 HG22 VAL 15 1HG2 VAL 15 -14.663 -7.687 2.732 152 HG23 VAL 15 2HG2 VAL 15 -14.089 -8.762 1.456 153 H ARG 16 H ARG 16 -15.941 -6.242 -1.693 154 HA ARG 16 HA ARG 16 -18.655 -5.971 -2.104 155 HB2 ARG 16 2HB ARG 16 -16.391 -5.154 -3.934 156 HB3 ARG 16 3HB ARG 16 -18.049 -4.587 -4.083 157 HG2 ARG 16 2HG ARG 16 -16.813 -4.223 -1.437 158 HG3 ARG 16 3HG ARG 16 -16.119 -3.272 -2.752 159 HD2 ARG 16 2HD ARG 16 -18.394 -2.467 -3.309 160 HD3 ARG 16 3HD ARG 16 -19.015 -3.346 -1.913 161 HE ARG 16 HE ARG 16 -16.990 -1.696 -0.988 162 HH11 ARG 16 1HH1 ARG 16 -20.095 -1.359 -2.524 163 HH12 ARG 16 2HH1 ARG 16 -20.435 0.176 -1.796 164 HH21 ARG 16 1HH2 ARG 16 -17.424 0.325 -0.024 165 HH22 ARG 16 2HH2 ARG 16 -18.914 1.134 -0.375 166 H ASP 17 H ASP 17 -16.328 -7.333 -4.444 167 HA ASP 17 HA ASP 17 -18.132 -8.178 -6.357 168 HB2 ASP 17 2HB ASP 17 -15.443 -9.235 -5.519 169 HB3 ASP 17 3HB ASP 17 -16.353 -10.000 -6.818 170 H GLY 18 H GLY 18 -17.054 -9.858 -3.433 171 HA2 GLY 18 2HA GLY 18 -18.398 -12.296 -3.956 172 HA3 GLY 18 3HA GLY 18 -17.841 -11.744 -2.383 173 H ILE 19 H ILE 19 -19.346 -9.414 -2.120 174 HA ILE 19 HA ILE 19 -21.817 -10.490 -1.221 175 HB ILE 19 HB ILE 19 -20.981 -7.601 -1.502 176 HG12 ILE 19 2HG1 ILE 19 -21.073 -9.186 1.050 177 HG13 ILE 19 3HG1 ILE 19 -19.651 -9.235 0.015 178 HG21 ILE 19 1HG2 ILE 19 -23.331 -8.906 -0.164 179 HG22 ILE 19 2HG2 ILE 19 -22.753 -7.308 0.305 180 HG23 ILE 19 3HG2 ILE 19 -23.323 -7.591 -1.340 181 HD11 ILE 19 3HD1 ILE 19 -19.283 -6.903 0.285 182 HD12 ILE 19 1HD1 ILE 19 -20.833 -6.694 1.099 183 HD13 ILE 19 2HD1 ILE 19 -19.538 -7.597 1.886 184 H ILE 20 H ILE 20 -20.846 -8.626 -4.040 185 HA ILE 20 HA ILE 20 -23.517 -8.140 -4.950 186 HB ILE 20 HB ILE 20 -20.907 -7.976 -6.462 187 HG12 ILE 20 2HG1 ILE 20 -22.513 -5.668 -5.389 188 HG13 ILE 20 3HG1 ILE 20 -21.309 -6.479 -4.394 189 HG21 ILE 20 1HG2 ILE 20 -23.606 -7.831 -7.362 190 HG22 ILE 20 2HG2 ILE 20 -22.871 -6.235 -7.509 191 HG23 ILE 20 3HG2 ILE 20 -22.118 -7.627 -8.287 192 HD11 ILE 20 3HD1 ILE 20 -19.857 -6.012 -6.606 193 HD12 ILE 20 1HD1 ILE 20 -20.970 -4.646 -6.664 194 HD13 ILE 20 2HD1 ILE 20 -19.959 -4.901 -5.241 195 H LYS 21 H LYS 21 -20.943 -10.411 -5.850 196 HA LYS 21 HA LYS 21 -22.350 -11.675 -7.941 197 HB2 LYS 21 2HB LYS 21 -19.851 -11.793 -7.410 198 HB3 LYS 21 3HB LYS 21 -20.273 -13.011 -6.213 199 HG2 LYS 21 2HG LYS 21 -21.226 -14.416 -7.957 200 HG3 LYS 21 3HG LYS 21 -20.843 -13.188 -9.165 201 HD2 LYS 21 2HD LYS 21 -18.505 -13.487 -8.848 202 HD3 LYS 21 3HD LYS 21 -18.762 -14.478 -7.410 203 HE2 LYS 21 2HE LYS 21 -18.170 -15.865 -9.320 204 HE3 LYS 21 3HE LYS 21 -19.817 -16.202 -8.789 205 HZ1 LYS 21 3HZ LYS 21 -19.859 -16.072 -11.132 206 HZ2 LYS 21 1HZ LYS 21 -18.966 -14.635 -11.157 207 HZ3 LYS 21 2HZ LYS 21 -20.555 -14.633 -10.577 208 H ALA 22 H ALA 22 -22.466 -12.016 -4.493 209 HA ALA 22 HA ALA 22 -23.451 -14.574 -4.159 210 HB1 ALA 22 1HB ALA 22 -22.880 -12.786 -2.404 211 HB2 ALA 22 2HB ALA 22 -24.557 -12.271 -2.590 212 HB3 ALA 22 3HB ALA 22 -24.192 -13.911 -2.052 213 H GLY 23 H GLY 23 -25.520 -11.661 -4.262 214 HA2 GLY 23 2HA GLY 23 -27.289 -11.833 -6.099 215 HA3 GLY 23 3HA GLY 23 -27.673 -13.368 -5.334 216 HA PRO 24 HA PRO 24 -30.385 -11.451 -2.478 217 HB2 PRO 24 2HB PRO 24 -29.746 -12.564 -0.086 218 HB3 PRO 24 3HB PRO 24 -30.564 -13.458 -1.373 219 HG2 PRO 24 2HG PRO 24 -27.667 -13.450 -0.618 220 HG3 PRO 24 3HG PRO 24 -28.707 -14.820 -1.051 221 HD2 PRO 24 2HD PRO 24 -26.972 -13.698 -2.801 222 HD3 PRO 24 3HD PRO 24 -28.514 -14.414 -3.312 223 H ALA 25 H ALA 25 -29.590 -9.296 -2.635 224 HA ALA 25 HA ALA 25 -27.677 -8.459 -0.577 225 HB1 ALA 25 1HB ALA 25 -27.434 -7.799 -3.029 226 HB2 ALA 25 2HB ALA 25 -28.788 -6.704 -2.744 227 HB3 ALA 25 3HB ALA 25 -27.293 -6.515 -1.828 228 H VAL 26 H VAL 26 -31.020 -8.274 -1.458 229 HA VAL 26 HA VAL 26 -31.893 -6.006 -0.151 230 HB VAL 26 HB VAL 26 -33.314 -8.669 -0.283 231 HG11 VAL 26 1HG1 VAL 26 -34.908 -7.714 0.933 232 HG12 VAL 26 2HG1 VAL 26 -34.024 -6.187 0.967 233 HG13 VAL 26 3HG1 VAL 26 -35.136 -6.535 -0.358 234 HG21 VAL 26 3HG2 VAL 26 -33.238 -6.322 -2.168 235 HG22 VAL 26 1HG2 VAL 26 -32.771 -7.991 -2.495 236 HG23 VAL 26 2HG2 VAL 26 -34.467 -7.584 -2.239 237 H ALA 27 H ALA 27 -31.775 -9.298 1.225 238 HA ALA 27 HA ALA 27 -32.510 -8.653 3.820 239 HB1 ALA 27 1HB ALA 27 -31.008 -10.884 2.570 240 HB2 ALA 27 2HB ALA 27 -30.925 -10.723 4.324 241 HB3 ALA 27 3HB ALA 27 -32.488 -10.909 3.529 242 H VAL 28 H VAL 28 -29.185 -9.091 2.593 243 HA VAL 28 HA VAL 28 -27.800 -8.367 4.866 244 HB VAL 28 HB VAL 28 -27.004 -7.750 2.017 245 HG11 VAL 28 1HG1 VAL 28 -24.676 -8.057 3.082 246 HG12 VAL 28 2HG1 VAL 28 -25.526 -6.532 3.338 247 HG13 VAL 28 3HG1 VAL 28 -25.503 -7.754 4.610 248 HG21 VAL 28 3HG2 VAL 28 -26.903 -9.958 1.752 249 HG22 VAL 28 1HG2 VAL 28 -25.611 -9.979 2.953 250 HG23 VAL 28 2HG2 VAL 28 -27.283 -10.237 3.452 251 H VAL 29 H VAL 29 -28.480 -6.192 2.117 252 HA VAL 29 HA VAL 29 -27.613 -3.831 3.250 253 HB VAL 29 HB VAL 29 -29.954 -4.181 1.371 254 HG11 VAL 29 1HG1 VAL 29 -30.095 -1.996 2.256 255 HG12 VAL 29 2HG1 VAL 29 -28.347 -1.765 2.163 256 HG13 VAL 29 3HG1 VAL 29 -29.309 -1.832 0.686 257 HG21 VAL 29 3HG2 VAL 29 -28.474 -4.695 -0.204 258 HG22 VAL 29 1HG2 VAL 29 -27.591 -3.201 0.116 259 HG23 VAL 29 2HG2 VAL 29 -27.190 -4.670 1.006 260 H GLY 30 H GLY 30 -30.987 -5.008 3.194 261 HA2 GLY 30 2HA GLY 30 -32.137 -3.028 4.743 262 HA3 GLY 30 3HA GLY 30 -32.713 -4.687 4.675 263 H GLN 31 H GLN 31 -30.573 -6.016 5.846 264 HA GLN 31 HA GLN 31 -31.158 -5.773 8.563 265 HB2 GLN 31 2HB GLN 31 -29.191 -7.250 6.934 266 HB3 GLN 31 3HB GLN 31 -28.729 -6.991 8.611 267 HG2 GLN 31 2HG GLN 31 -31.470 -7.979 8.122 268 HG3 GLN 31 3HG GLN 31 -30.145 -9.094 7.794 269 HE21 GLN 31 1HE2 GLN 31 -31.795 -7.232 10.228 270 HE22 GLN 31 2HE2 GLN 31 -31.119 -8.045 11.594 271 H ALA 32 H ALA 32 -27.972 -5.099 7.108 272 HA ALA 32 HA ALA 32 -26.876 -3.742 9.248 273 HB1 ALA 32 1HB ALA 32 -25.938 -2.535 6.837 274 HB2 ALA 32 2HB ALA 32 -25.127 -3.698 7.886 275 HB3 ALA 32 3HB ALA 32 -26.158 -4.265 6.573 276 H ALA 33 H ALA 33 -28.779 -2.438 6.556 277 HA ALA 33 HA ALA 33 -28.544 0.277 7.180 278 HB1 ALA 33 1HB ALA 33 -29.417 -0.299 5.063 279 HB2 ALA 33 2HB ALA 33 -30.709 -1.267 5.776 280 HB3 ALA 33 3HB ALA 33 -30.733 0.489 5.934 281 H THR 34 H THR 34 -31.035 -2.071 8.150 282 HA THR 34 HA THR 34 -32.528 -0.247 9.718 283 HB THR 34 HB THR 34 -32.410 -3.264 9.903 284 HG1 THR 34 HG1 THR 34 -33.196 -1.955 7.905 285 HG21 THR 34 3HG2 THR 34 -34.066 -1.203 11.263 286 HG22 THR 34 1HG2 THR 34 -33.484 -2.757 11.858 287 HG23 THR 34 2HG2 THR 34 -34.859 -2.694 10.756 288 H VAL 35 H VAL 35 -29.872 -2.443 10.443 289 HA VAL 35 HA VAL 35 -29.991 -2.178 13.265 290 HB VAL 35 HB VAL 35 -27.642 -2.925 11.517 291 HG11 VAL 35 1HG1 VAL 35 -27.229 -4.176 13.879 292 HG12 VAL 35 2HG1 VAL 35 -26.519 -2.620 13.445 293 HG13 VAL 35 3HG1 VAL 35 -27.982 -2.680 14.428 294 HG21 VAL 35 3HG2 VAL 35 -28.806 -5.096 12.981 295 HG22 VAL 35 1HG2 VAL 35 -30.047 -4.292 12.020 296 HG23 VAL 35 2HG2 VAL 35 -28.593 -4.915 11.239 297 H VAL 36 H VAL 36 -28.150 -0.506 10.746 298 HA VAL 36 HA VAL 36 -26.693 1.131 12.587 299 HB VAL 36 HB VAL 36 -27.124 1.482 9.617 300 HG11 VAL 36 1HG1 VAL 36 -25.138 2.780 11.480 301 HG12 VAL 36 2HG1 VAL 36 -25.141 2.934 9.722 302 HG13 VAL 36 3HG1 VAL 36 -26.486 3.574 10.667 303 HG21 VAL 36 3HG2 VAL 36 -24.476 0.692 10.376 304 HG22 VAL 36 1HG2 VAL 36 -25.651 -0.451 11.028 305 HG23 VAL 36 2HG2 VAL 36 -25.613 -0.116 9.297 306 H LYS 37 H LYS 37 -29.408 1.727 10.364 307 HA LYS 37 HA LYS 37 -29.812 4.417 10.948 308 HB2 LYS 37 2HB LYS 37 -30.899 3.185 9.089 309 HB3 LYS 37 3HB LYS 37 -31.925 2.366 10.259 310 HG2 LYS 37 2HG LYS 37 -32.480 4.874 10.939 311 HG3 LYS 37 3HG LYS 37 -32.033 5.147 9.253 312 HD2 LYS 37 2HD LYS 37 -33.682 2.881 9.247 313 HD3 LYS 37 3HD LYS 37 -34.450 4.029 10.346 314 HE2 LYS 37 2HE LYS 37 -35.352 4.770 8.398 315 HE3 LYS 37 3HE LYS 37 -33.859 5.708 8.368 316 HZ1 LYS 37 3HZ LYS 37 -32.871 3.951 6.987 317 HZ2 LYS 37 1HZ LYS 37 -34.210 4.672 6.246 318 HZ3 LYS 37 2HZ LYS 37 -34.358 3.144 6.955 319 HN1 NH2 38 HN1 NH2 38 -32.312 1.920 12.430 Start of MODEL 4 1 H1 ARG 1 H ARG 1 2.247 0.803 -0.593 2 HA ARG 1 HA ARG 1 1.829 0.245 -3.116 3 HB2 ARG 1 2HB ARG 1 3.952 -0.491 -1.283 4 HB3 ARG 1 3HB ARG 1 3.793 -1.669 -2.579 5 HG2 ARG 1 2HG ARG 1 4.457 -0.207 -4.183 6 HG3 ARG 1 3HG ARG 1 3.797 1.194 -3.336 7 HD2 ARG 1 2HD ARG 1 5.924 -0.029 -1.819 8 HD3 ARG 1 3HD ARG 1 6.466 0.381 -3.446 9 HE ARG 1 HE ARG 1 5.035 2.523 -2.223 10 HH11 ARG 1 1HH1 ARG 1 8.128 0.931 -2.352 11 HH12 ARG 1 2HH1 ARG 1 9.020 2.340 -1.879 12 HH21 ARG 1 1HH2 ARG 1 6.197 4.384 -1.600 13 HH22 ARG 1 2HH2 ARG 1 7.920 4.303 -1.451 14 H TRP 2 H TRP 2 1.155 -2.015 -0.561 15 HA TRP 2 HA TRP 2 -0.018 -3.838 -2.550 16 HB2 TRP 2 2HB TRP 2 1.992 -4.419 -0.475 17 HB3 TRP 2 3HB TRP 2 0.636 -5.543 -0.523 18 HD1 TRP 2 HD1 TRP 2 0.318 -6.976 -2.802 19 HE1 TRP 2 HE1 TRP 2 2.019 -7.669 -4.605 20 HE3 TRP 2 HE3 TRP 2 4.063 -3.676 -1.696 21 HZ2 TRP 2 HZ2 TRP 2 4.606 -6.917 -5.447 22 HZ3 TRP 2 HZ3 TRP 2 6.118 -3.729 -3.047 23 HH2 TRP 2 HH2 TRP 2 6.382 -5.316 -4.883 24 H LYS 3 H LYS 3 0.075 -3.006 0.911 25 HA LYS 3 HA LYS 3 -2.288 -4.230 1.694 26 HB2 LYS 3 2HB LYS 3 -0.539 -2.128 2.736 27 HB3 LYS 3 3HB LYS 3 -2.217 -1.936 3.227 28 HG2 LYS 3 2HG LYS 3 -1.274 -3.209 4.926 29 HG3 LYS 3 3HG LYS 3 -2.099 -4.399 3.917 30 HD2 LYS 3 2HD LYS 3 -0.088 -5.449 4.156 31 HD3 LYS 3 3HD LYS 3 0.269 -4.478 2.726 32 HE2 LYS 3 2HE LYS 3 0.825 -2.810 4.886 33 HE3 LYS 3 3HE LYS 3 1.449 -4.388 5.363 34 HZ1 LYS 3 3HZ LYS 3 2.121 -2.910 2.876 35 HZ2 LYS 3 1HZ LYS 3 2.665 -4.467 3.249 36 HZ3 LYS 3 2HZ LYS 3 3.138 -3.155 4.205 37 H ILE 4 H ILE 4 -1.882 -0.784 0.851 38 HA ILE 4 HA ILE 4 -4.580 -0.105 0.877 39 HB ILE 4 HB ILE 4 -2.461 1.086 -0.915 40 HG12 ILE 4 2HG1 ILE 4 -1.723 1.080 1.413 41 HG13 ILE 4 3HG1 ILE 4 -2.127 2.717 0.907 42 HG21 ILE 4 1HG2 ILE 4 -4.053 3.138 -0.304 43 HG22 ILE 4 2HG2 ILE 4 -4.331 2.099 -1.701 44 HG23 ILE 4 3HG2 ILE 4 -5.236 1.834 -0.211 45 HD11 ILE 4 3HD1 ILE 4 -3.204 1.137 3.054 46 HD12 ILE 4 1HD1 ILE 4 -3.382 2.860 2.722 47 HD13 ILE 4 2HD1 ILE 4 -4.481 1.699 1.976 48 H PHE 5 H PHE 5 -2.563 -0.977 -1.932 49 HA PHE 5 HA PHE 5 -4.494 -0.861 -3.899 50 HB2 PHE 5 2HB PHE 5 -2.043 -1.262 -4.246 51 HB3 PHE 5 3HB PHE 5 -2.297 -2.933 -3.752 52 HD1 PHE 5 HD1 PHE 5 -3.724 -0.460 -6.157 53 HD2 PHE 5 HD2 PHE 5 -2.572 -4.489 -5.410 54 HE1 PHE 5 HE1 PHE 5 -4.301 -1.050 -8.474 55 HE2 PHE 5 HE2 PHE 5 -3.147 -5.086 -7.727 56 HZ PHE 5 HZ PHE 5 -4.012 -3.365 -9.262 57 H LYS 6 H LYS 6 -3.462 -3.840 -2.227 58 HA LYS 6 HA LYS 6 -5.431 -5.519 -3.219 59 HB2 LYS 6 2HB LYS 6 -3.938 -5.549 -0.599 60 HB3 LYS 6 3HB LYS 6 -5.046 -6.832 -1.067 61 HG2 LYS 6 2HG LYS 6 -3.449 -6.624 -3.273 62 HG3 LYS 6 3HG LYS 6 -2.322 -6.282 -1.958 63 HD2 LYS 6 2HD LYS 6 -2.813 -8.356 -0.894 64 HD3 LYS 6 3HD LYS 6 -4.175 -8.658 -1.975 65 HE2 LYS 6 2HE LYS 6 -2.092 -8.331 -3.724 66 HE3 LYS 6 3HE LYS 6 -1.316 -9.139 -2.363 67 HZ1 LYS 6 3HZ LYS 6 -2.366 -10.569 -4.185 68 HZ2 LYS 6 1HZ LYS 6 -3.849 -10.158 -3.482 69 HZ3 LYS 6 2HZ LYS 6 -2.684 -10.982 -2.575 70 H LYS 7 H LYS 7 -5.476 -3.567 -0.250 71 HA LYS 7 HA LYS 7 -7.956 -4.363 0.727 72 HB2 LYS 7 2HB LYS 7 -6.303 -2.964 1.954 73 HB3 LYS 7 3HB LYS 7 -6.737 -1.603 0.928 74 HG2 LYS 7 2HG LYS 7 -7.924 -1.298 2.929 75 HG3 LYS 7 3HG LYS 7 -9.106 -1.900 1.764 76 HD2 LYS 7 2HD LYS 7 -8.207 -4.225 2.831 77 HD3 LYS 7 3HD LYS 7 -8.058 -3.143 4.218 78 HE2 LYS 7 2HE LYS 7 -10.474 -2.418 3.544 79 HE3 LYS 7 3HE LYS 7 -10.498 -3.966 2.700 80 HZ1 LYS 7 3HZ LYS 7 -9.603 -3.930 5.487 81 HZ2 LYS 7 1HZ LYS 7 -10.439 -5.130 4.637 82 HZ3 LYS 7 2HZ LYS 7 -11.259 -3.757 5.185 83 H ILE 8 H ILE 8 -7.336 -1.296 -0.990 84 HA ILE 8 HA ILE 8 -9.961 -0.586 -1.452 85 HB ILE 8 HB ILE 8 -7.612 -0.075 -3.280 86 HG12 ILE 8 2HG1 ILE 8 -7.259 0.678 -0.950 87 HG13 ILE 8 3HG1 ILE 8 -7.371 2.028 -2.074 88 HG21 ILE 8 1HG2 ILE 8 -9.398 2.063 -3.384 89 HG22 ILE 8 2HG2 ILE 8 -9.097 0.863 -4.640 90 HG23 ILE 8 3HG2 ILE 8 -10.402 0.616 -3.479 91 HD11 ILE 8 3HD1 ILE 8 -9.587 1.051 -0.289 92 HD12 ILE 8 1HD1 ILE 8 -8.571 2.462 0.002 93 HD13 ILE 8 2HD1 ILE 8 -9.662 2.432 -1.384 94 H GLU 9 H GLU 9 -7.850 -2.607 -3.461 95 HA GLU 9 HA GLU 9 -9.594 -2.957 -5.620 96 HB2 GLU 9 2HB GLU 9 -7.342 -4.603 -4.505 97 HB3 GLU 9 3HB GLU 9 -8.288 -5.185 -5.868 98 HG2 GLU 9 2HG GLU 9 -7.161 -2.443 -6.013 99 HG3 GLU 9 3HG GLU 9 -6.067 -3.812 -6.202 100 H LYS 10 H LYS 10 -9.171 -4.894 -2.675 101 HA LYS 10 HA LYS 10 -11.128 -6.833 -3.336 102 HB2 LYS 10 2HB LYS 10 -9.537 -6.109 -0.953 103 HB3 LYS 10 3HB LYS 10 -11.054 -6.937 -0.628 104 HG2 LYS 10 2HG LYS 10 -10.270 -8.897 -1.348 105 HG3 LYS 10 3HG LYS 10 -9.494 -8.174 -2.759 106 HD2 LYS 10 2HD LYS 10 -7.533 -7.721 -1.607 107 HD3 LYS 10 3HD LYS 10 -8.328 -7.773 -0.032 108 HE2 LYS 10 2HE LYS 10 -8.748 -10.270 -0.631 109 HE3 LYS 10 3HE LYS 10 -7.440 -10.027 -1.787 110 HZ1 LYS 10 3HZ LYS 10 -6.035 -10.373 -0.128 111 HZ2 LYS 10 1HZ LYS 10 -7.288 -10.427 1.008 112 HZ3 LYS 10 2HZ LYS 10 -6.574 -8.947 0.606 113 H VAL 11 H VAL 11 -11.234 -3.788 -1.567 114 HA VAL 11 HA VAL 11 -13.823 -4.026 -0.506 115 HB VAL 11 HB VAL 11 -12.355 -1.516 -1.329 116 HG11 VAL 11 1HG1 VAL 11 -14.983 -1.982 -0.126 117 HG12 VAL 11 2HG1 VAL 11 -13.971 -0.841 0.763 118 HG13 VAL 11 3HG1 VAL 11 -14.342 -0.554 -0.937 119 HG21 VAL 11 3HG2 VAL 11 -11.738 -3.377 0.661 120 HG22 VAL 11 1HG2 VAL 11 -11.091 -1.746 0.486 121 HG23 VAL 11 2HG2 VAL 11 -12.504 -2.030 1.503 122 H GLY 12 H GLY 12 -12.678 -3.147 -3.686 123 HA2 GLY 12 2HA GLY 12 -15.252 -2.129 -4.542 124 HA3 GLY 12 3HA GLY 12 -13.819 -2.325 -5.541 125 H ARG 13 H ARG 13 -13.441 -5.122 -4.791 126 HA ARG 13 HA ARG 13 -15.225 -6.271 -6.739 127 HB2 ARG 13 2HB ARG 13 -12.725 -6.818 -6.354 128 HB3 ARG 13 3HB ARG 13 -13.301 -7.832 -5.037 129 HG2 ARG 13 2HG ARG 13 -13.986 -9.435 -6.425 130 HG3 ARG 13 3HG ARG 13 -14.729 -8.282 -7.534 131 HD2 ARG 13 2HD ARG 13 -13.064 -9.091 -8.871 132 HD3 ARG 13 3HD ARG 13 -12.213 -7.745 -8.113 133 HE ARG 13 HE ARG 13 -10.837 -9.252 -7.088 134 HH11 ARG 13 1HH1 ARG 13 -13.696 -10.906 -8.187 135 HH12 ARG 13 2HH1 ARG 13 -13.097 -12.482 -7.785 136 HH21 ARG 13 1HH2 ARG 13 -10.037 -11.320 -6.554 137 HH22 ARG 13 2HH2 ARG 13 -11.016 -12.716 -6.855 138 H ASN 14 H ASN 14 -14.805 -6.379 -3.252 139 HA ASN 14 HA ASN 14 -16.393 -8.550 -2.600 140 HB2 ASN 14 2HB ASN 14 -15.302 -6.255 -1.232 141 HB3 ASN 14 3HB ASN 14 -16.930 -6.592 -0.650 142 HD21 ASN 14 1HD2 ASN 14 -13.872 -7.111 0.074 143 HD22 ASN 14 2HD2 ASN 14 -13.959 -8.676 0.802 144 H VAL 15 H VAL 15 -17.479 -5.150 -2.516 145 HA VAL 15 HA VAL 15 -20.180 -5.612 -2.199 146 HB VAL 15 HB VAL 15 -18.994 -3.378 -3.851 147 HG11 VAL 15 1HG1 VAL 15 -21.671 -3.957 -2.759 148 HG12 VAL 15 2HG1 VAL 15 -21.093 -2.302 -2.553 149 HG13 VAL 15 3HG1 VAL 15 -21.198 -3.006 -4.167 150 HG21 VAL 15 3HG2 VAL 15 -17.875 -2.918 -1.951 151 HG22 VAL 15 1HG2 VAL 15 -19.435 -2.306 -1.402 152 HG23 VAL 15 2HG2 VAL 15 -18.924 -3.936 -0.965 153 H ARG 16 H ARG 16 -18.466 -5.085 -5.283 154 HA ARG 16 HA ARG 16 -20.590 -5.402 -7.014 155 HB2 ARG 16 2HB ARG 16 -17.668 -6.061 -7.293 156 HB3 ARG 16 3HB ARG 16 -18.794 -6.323 -8.617 157 HG2 ARG 16 2HG ARG 16 -18.906 -3.658 -7.382 158 HG3 ARG 16 3HG ARG 16 -17.408 -4.046 -8.231 159 HD2 ARG 16 2HD ARG 16 -18.387 -3.839 -10.222 160 HD3 ARG 16 3HD ARG 16 -19.732 -4.872 -9.741 161 HE ARG 16 HE ARG 16 -20.982 -2.990 -9.470 162 HH11 ARG 16 1HH1 ARG 16 -17.621 -2.122 -9.210 163 HH12 ARG 16 2HH1 ARG 16 -17.936 -0.424 -9.065 164 HH21 ARG 16 1HH2 ARG 16 -21.410 -0.758 -9.280 165 HH22 ARG 16 2HH2 ARG 16 -20.092 0.350 -9.104 166 H ASP 17 H ASP 17 -18.247 -7.973 -6.209 167 HA ASP 17 HA ASP 17 -19.578 -10.086 -7.385 168 HB2 ASP 17 2HB ASP 17 -17.384 -10.502 -6.633 169 HB3 ASP 17 3HB ASP 17 -17.748 -9.951 -5.000 170 H GLY 18 H GLY 18 -20.014 -8.724 -4.150 171 HA2 GLY 18 2HA GLY 18 -21.801 -10.677 -3.180 172 HA3 GLY 18 3HA GLY 18 -21.656 -9.033 -2.576 173 H ILE 19 H ILE 19 -22.396 -7.587 -4.823 174 HA ILE 19 HA ILE 19 -25.234 -7.804 -4.677 175 HB ILE 19 HB ILE 19 -23.532 -6.118 -6.518 176 HG12 ILE 19 2HG1 ILE 19 -24.993 -5.174 -4.063 177 HG13 ILE 19 3HG1 ILE 19 -23.367 -5.838 -3.949 178 HG21 ILE 19 1HG2 ILE 19 -25.510 -5.891 -7.579 179 HG22 ILE 19 2HG2 ILE 19 -26.443 -6.423 -6.181 180 HG23 ILE 19 3HG2 ILE 19 -25.846 -4.766 -6.264 181 HD11 ILE 19 3HD1 ILE 19 -24.150 -3.487 -5.655 182 HD12 ILE 19 1HD1 ILE 19 -23.408 -3.383 -4.059 183 HD13 ILE 19 2HD1 ILE 19 -22.521 -4.111 -5.398 184 H ILE 20 H ILE 20 -22.806 -8.732 -7.038 185 HA ILE 20 HA ILE 20 -24.657 -9.350 -9.121 186 HB ILE 20 HB ILE 20 -21.808 -10.277 -8.736 187 HG12 ILE 20 2HG1 ILE 20 -22.545 -8.266 -10.786 188 HG13 ILE 20 3HG1 ILE 20 -22.608 -7.727 -9.111 189 HG21 ILE 20 1HG2 ILE 20 -23.774 -10.626 -10.955 190 HG22 ILE 20 2HG2 ILE 20 -22.054 -10.501 -11.319 191 HG23 ILE 20 3HG2 ILE 20 -22.641 -11.788 -10.266 192 HD11 ILE 20 3HD1 ILE 20 -20.332 -8.177 -10.825 193 HD12 ILE 20 1HD1 ILE 20 -20.440 -7.315 -9.291 194 HD13 ILE 20 2HD1 ILE 20 -20.191 -9.061 -9.306 195 H LYS 21 H LYS 21 -22.961 -11.259 -6.665 196 HA LYS 21 HA LYS 21 -23.936 -13.776 -7.530 197 HB2 LYS 21 2HB LYS 21 -22.709 -12.778 -4.975 198 HB3 LYS 21 3HB LYS 21 -23.326 -14.421 -5.096 199 HG2 LYS 21 2HG LYS 21 -21.755 -14.139 -7.353 200 HG3 LYS 21 3HG LYS 21 -20.857 -13.286 -6.095 201 HD2 LYS 21 2HD LYS 21 -20.074 -15.441 -5.842 202 HD3 LYS 21 3HD LYS 21 -21.394 -15.408 -4.671 203 HE2 LYS 21 2HE LYS 21 -22.625 -16.892 -5.832 204 HE3 LYS 21 3HE LYS 21 -22.177 -16.196 -7.389 205 HZ1 LYS 21 3HZ LYS 21 -20.528 -18.043 -5.749 206 HZ2 LYS 21 1HZ LYS 21 -20.019 -17.318 -7.190 207 HZ3 LYS 21 2HZ LYS 21 -21.307 -18.414 -7.205 208 H ALA 22 H ALA 22 -24.720 -12.182 -4.444 209 HA ALA 22 HA ALA 22 -27.058 -13.622 -3.966 210 HB1 ALA 22 1HB ALA 22 -25.685 -11.380 -2.785 211 HB2 ALA 22 2HB ALA 22 -27.434 -11.149 -2.735 212 HB3 ALA 22 3HB ALA 22 -26.714 -12.595 -2.026 213 H GLY 23 H GLY 23 -26.981 -10.154 -4.816 214 HA2 GLY 23 2HA GLY 23 -28.262 -9.629 -6.946 215 HA3 GLY 23 3HA GLY 23 -29.554 -10.561 -6.205 216 HA PRO 24 HA PRO 24 -31.110 -7.036 -4.124 217 HB2 PRO 24 2HB PRO 24 -31.634 -7.925 -1.613 218 HB3 PRO 24 3HB PRO 24 -32.588 -8.407 -3.021 219 HG2 PRO 24 2HG PRO 24 -30.386 -9.882 -1.631 220 HG3 PRO 24 3HG PRO 24 -31.933 -10.497 -2.242 221 HD2 PRO 24 2HD PRO 24 -29.606 -10.811 -3.590 222 HD3 PRO 24 3HD PRO 24 -31.168 -10.626 -4.412 223 H ALA 25 H ALA 25 -30.406 -5.252 -3.067 224 HA ALA 25 HA ALA 25 -27.727 -5.246 -2.034 225 HB1 ALA 25 1HB ALA 25 -29.424 -3.356 -3.177 226 HB2 ALA 25 2HB ALA 25 -29.178 -2.807 -1.519 227 HB3 ALA 25 3HB ALA 25 -27.790 -3.090 -2.569 228 H VAL 26 H VAL 26 -30.917 -5.408 -0.696 229 HA VAL 26 HA VAL 26 -30.588 -4.385 1.846 230 HB VAL 26 HB VAL 26 -32.149 -6.864 1.103 231 HG11 VAL 26 1HG1 VAL 26 -31.865 -5.322 3.590 232 HG12 VAL 26 2HG1 VAL 26 -33.525 -5.688 3.115 233 HG13 VAL 26 3HG1 VAL 26 -32.361 -6.996 3.340 234 HG21 VAL 26 3HG2 VAL 26 -32.630 -3.974 0.720 235 HG22 VAL 26 1HG2 VAL 26 -33.198 -5.355 -0.218 236 HG23 VAL 26 2HG2 VAL 26 -33.996 -4.928 1.296 237 H ALA 27 H ALA 27 -29.832 -7.660 0.695 238 HA ALA 27 HA ALA 27 -28.922 -8.633 3.195 239 HB1 ALA 27 1HB ALA 27 -28.242 -9.610 0.424 240 HB2 ALA 27 2HB ALA 27 -28.009 -10.500 1.929 241 HB3 ALA 27 3HB ALA 27 -29.639 -10.110 1.378 242 H VAL 28 H VAL 28 -27.138 -7.533 0.309 243 HA VAL 28 HA VAL 28 -24.561 -7.805 1.289 244 HB VAL 28 HB VAL 28 -25.586 -5.661 -0.577 245 HG11 VAL 28 1HG1 VAL 28 -23.196 -5.728 -1.407 246 HG12 VAL 28 2HG1 VAL 28 -23.451 -4.974 0.169 247 HG13 VAL 28 3HG1 VAL 28 -22.807 -6.613 0.068 248 HG21 VAL 28 3HG2 VAL 28 -24.293 -8.293 -1.268 249 HG22 VAL 28 1HG2 VAL 28 -26.038 -8.033 -1.244 250 HG23 VAL 28 2HG2 VAL 28 -25.027 -7.130 -2.372 251 H VAL 29 H VAL 29 -26.840 -5.138 1.696 252 HA VAL 29 HA VAL 29 -24.974 -3.455 3.073 253 HB VAL 29 HB VAL 29 -27.989 -3.292 2.946 254 HG11 VAL 29 1HG1 VAL 29 -26.041 -1.811 4.467 255 HG12 VAL 29 2HG1 VAL 29 -26.894 -0.755 3.341 256 HG13 VAL 29 3HG1 VAL 29 -27.801 -1.719 4.507 257 HG21 VAL 29 3HG2 VAL 29 -26.454 -1.314 1.467 258 HG22 VAL 29 1HG2 VAL 29 -26.169 -2.959 0.901 259 HG23 VAL 29 2HG2 VAL 29 -27.810 -2.313 0.946 260 H GLY 30 H GLY 30 -27.892 -5.219 4.139 261 HA2 GLY 30 2HA GLY 30 -27.682 -4.731 6.858 262 HA3 GLY 30 3HA GLY 30 -28.420 -6.167 6.163 263 H GLN 31 H GLN 31 -26.385 -7.537 5.084 264 HA GLN 31 HA GLN 31 -25.221 -8.856 7.219 265 HB2 GLN 31 2HB GLN 31 -25.347 -9.933 5.086 266 HB3 GLN 31 3HB GLN 31 -24.368 -8.684 4.330 267 HG2 GLN 31 2HG GLN 31 -22.430 -9.585 5.028 268 HG3 GLN 31 3HG GLN 31 -23.104 -10.110 6.570 269 HE21 GLN 31 1HE2 GLN 31 -23.862 -12.153 6.783 270 HE22 GLN 31 2HE2 GLN 31 -23.779 -13.349 5.540 271 H ALA 32 H ALA 32 -23.432 -6.806 4.908 272 HA ALA 32 HA ALA 32 -21.057 -6.643 6.303 273 HB1 ALA 32 1HB ALA 32 -20.813 -4.386 5.110 274 HB2 ALA 32 2HB ALA 32 -21.024 -5.829 4.117 275 HB3 ALA 32 3HB ALA 32 -22.387 -4.746 4.399 276 H ALA 33 H ALA 33 -23.772 -4.335 6.430 277 HA ALA 33 HA ALA 33 -22.752 -2.561 8.283 278 HB1 ALA 33 1HB ALA 33 -24.773 -2.022 7.164 279 HB2 ALA 33 2HB ALA 33 -25.589 -3.448 7.808 280 HB3 ALA 33 3HB ALA 33 -25.155 -2.120 8.884 281 H THR 34 H THR 34 -24.583 -5.545 8.888 282 HA THR 34 HA THR 34 -24.593 -5.304 11.709 283 HB THR 34 HB THR 34 -24.861 -7.790 10.006 284 HG1 THR 34 HG1 THR 34 -26.866 -6.165 11.220 285 HG21 THR 34 3HG2 THR 34 -26.194 -8.486 12.141 286 HG22 THR 34 1HG2 THR 34 -25.184 -7.279 12.936 287 HG23 THR 34 2HG2 THR 34 -24.439 -8.650 12.113 288 H VAL 35 H VAL 35 -22.426 -6.922 9.433 289 HA VAL 35 HA VAL 35 -20.842 -8.254 11.354 290 HB VAL 35 HB VAL 35 -20.077 -7.330 8.581 291 HG11 VAL 35 1HG1 VAL 35 -18.717 -9.064 10.599 292 HG12 VAL 35 2HG1 VAL 35 -18.488 -9.369 8.876 293 HG13 VAL 35 3HG1 VAL 35 -18.041 -7.807 9.563 294 HG21 VAL 35 3HG2 VAL 35 -20.542 -10.159 8.906 295 HG22 VAL 35 1HG2 VAL 35 -21.966 -9.225 9.364 296 HG23 VAL 35 2HG2 VAL 35 -21.261 -9.028 7.760 297 H VAL 36 H VAL 36 -20.615 -5.062 9.863 298 HA VAL 36 HA VAL 36 -18.102 -4.430 11.099 299 HB VAL 36 HB VAL 36 -20.111 -2.601 9.776 300 HG11 VAL 36 1HG1 VAL 36 -18.149 -1.081 9.543 301 HG12 VAL 36 2HG1 VAL 36 -18.678 -1.322 11.209 302 HG13 VAL 36 3HG1 VAL 36 -17.247 -2.160 10.606 303 HG21 VAL 36 3HG2 VAL 36 -18.403 -4.569 8.674 304 HG22 VAL 36 1HG2 VAL 36 -19.392 -3.381 7.825 305 HG23 VAL 36 2HG2 VAL 36 -17.728 -2.993 8.261 306 H LYS 37 H LYS 37 -21.492 -3.567 11.674 307 HA LYS 37 HA LYS 37 -20.995 -1.827 13.848 308 HB2 LYS 37 2HB LYS 37 -23.110 -1.933 12.493 309 HB3 LYS 37 3HB LYS 37 -23.507 -3.424 13.336 310 HG2 LYS 37 2HG LYS 37 -24.397 -2.273 14.999 311 HG3 LYS 37 3HG LYS 37 -22.866 -1.436 15.269 312 HD2 LYS 37 2HD LYS 37 -24.593 0.193 14.857 313 HD3 LYS 37 3HD LYS 37 -23.484 0.171 13.484 314 HE2 LYS 37 2HE LYS 37 -25.041 -1.202 12.223 315 HE3 LYS 37 3HE LYS 37 -26.132 -1.270 13.605 316 HZ1 LYS 37 3HZ LYS 37 -25.400 1.391 12.712 317 HZ2 LYS 37 1HZ LYS 37 -26.900 0.790 13.212 318 HZ3 LYS 37 2HZ LYS 37 -26.357 0.503 11.636 319 HN1 NH2 38 HN1 NH2 38 -22.906 -5.040 14.586 Start of MODEL 5 1 H1 ARG 1 H ARG 1 6.138 -3.603 -7.544 2 HA ARG 1 HA ARG 1 3.239 -4.067 -7.795 3 HB2 ARG 1 2HB ARG 1 5.341 -5.766 -6.440 4 HB3 ARG 1 3HB ARG 1 3.612 -6.085 -6.392 5 HG2 ARG 1 2HG ARG 1 3.625 -7.041 -8.403 6 HG3 ARG 1 3HG ARG 1 4.624 -5.763 -9.098 7 HD2 ARG 1 2HD ARG 1 5.972 -7.649 -9.272 8 HD3 ARG 1 3HD ARG 1 6.555 -6.869 -7.802 9 HE ARG 1 HE ARG 1 5.915 -8.723 -6.645 10 HH11 ARG 1 1HH1 ARG 1 4.131 -8.617 -9.633 11 HH12 ARG 1 2HH1 ARG 1 3.365 -10.150 -9.382 12 HH21 ARG 1 1HH2 ARG 1 4.913 -10.743 -6.303 13 HH22 ARG 1 2HH2 ARG 1 3.810 -11.359 -7.487 14 H TRP 2 H TRP 2 1.976 -3.191 -6.294 15 HA TRP 2 HA TRP 2 3.238 -2.069 -3.893 16 HB2 TRP 2 2HB TRP 2 0.701 -1.413 -5.377 17 HB3 TRP 2 3HB TRP 2 0.977 -0.843 -3.733 18 HD1 TRP 2 HD1 TRP 2 2.841 -0.692 -7.143 19 HE1 TRP 2 HE1 TRP 2 3.972 1.614 -7.318 20 HE3 TRP 2 HE3 TRP 2 1.548 1.195 -2.571 21 HZ2 TRP 2 HZ2 TRP 2 4.276 3.926 -5.728 22 HZ3 TRP 2 HZ3 TRP 2 2.300 3.461 -1.975 23 HH2 TRP 2 HH2 TRP 2 3.636 4.796 -3.522 24 H LYS 3 H LYS 3 3.184 -3.441 -2.233 25 HA LYS 3 HA LYS 3 1.451 -5.588 -1.888 26 HB2 LYS 3 2HB LYS 3 3.502 -4.260 -0.353 27 HB3 LYS 3 3HB LYS 3 2.169 -4.731 0.693 28 HG2 LYS 3 2HG LYS 3 2.357 -7.029 -0.056 29 HG3 LYS 3 3HG LYS 3 3.645 -6.576 -1.176 30 HD2 LYS 3 2HD LYS 3 5.037 -7.128 0.491 31 HD3 LYS 3 3HD LYS 3 4.565 -5.585 1.207 32 HE2 LYS 3 2HE LYS 3 3.990 -6.843 2.977 33 HE3 LYS 3 3HE LYS 3 2.540 -7.189 2.037 34 HZ1 LYS 3 3HZ LYS 3 3.395 -9.239 1.351 35 HZ2 LYS 3 1HZ LYS 3 3.789 -9.154 2.994 36 HZ3 LYS 3 2HZ LYS 3 4.973 -8.857 1.824 37 H ILE 4 H ILE 4 1.380 -2.580 0.033 38 HA ILE 4 HA ILE 4 -1.061 -2.973 1.257 39 HB ILE 4 HB ILE 4 0.105 -0.331 0.372 40 HG12 ILE 4 2HG1 ILE 4 0.321 -1.666 3.073 41 HG13 ILE 4 3HG1 ILE 4 1.550 -1.827 1.824 42 HG21 ILE 4 1HG2 ILE 4 -1.247 0.634 2.174 43 HG22 ILE 4 2HG2 ILE 4 -2.250 -0.138 0.948 44 HG23 ILE 4 3HG2 ILE 4 -1.956 -0.951 2.485 45 HD11 ILE 4 3HD1 ILE 4 0.701 0.670 3.258 46 HD12 ILE 4 1HD1 ILE 4 2.268 -0.136 3.313 47 HD13 ILE 4 2HD1 ILE 4 1.743 0.671 1.835 48 H PHE 5 H PHE 5 -0.451 -1.134 -1.736 49 HA PHE 5 HA PHE 5 -3.049 -0.430 -2.345 50 HB2 PHE 5 2HB PHE 5 -0.819 0.147 -3.547 51 HB3 PHE 5 3HB PHE 5 -1.148 -1.293 -4.505 52 HD1 PHE 5 HD1 PHE 5 -3.300 1.473 -3.225 53 HD2 PHE 5 HD2 PHE 5 -1.882 -0.705 -6.595 54 HE1 PHE 5 HE1 PHE 5 -4.771 2.792 -4.691 55 HE2 PHE 5 HE2 PHE 5 -3.350 0.610 -8.067 56 HZ PHE 5 HZ PHE 5 -4.796 2.362 -7.116 57 H LYS 6 H LYS 6 -1.321 -3.243 -3.701 58 HA LYS 6 HA LYS 6 -3.473 -4.428 -4.976 59 HB2 LYS 6 2HB LYS 6 -1.015 -5.637 -3.716 60 HB3 LYS 6 3HB LYS 6 -2.176 -6.595 -4.626 61 HG2 LYS 6 2HG LYS 6 -1.473 -4.318 -6.178 62 HG3 LYS 6 3HG LYS 6 0.006 -5.087 -5.596 63 HD2 LYS 6 2HD LYS 6 -0.417 -7.053 -6.716 64 HD3 LYS 6 3HD LYS 6 -2.162 -6.792 -6.732 65 HE2 LYS 6 2HE LYS 6 -2.012 -5.966 -8.787 66 HE3 LYS 6 3HE LYS 6 -0.965 -4.680 -8.190 67 HZ1 LYS 6 3HZ LYS 6 0.363 -7.213 -8.558 68 HZ2 LYS 6 1HZ LYS 6 0.842 -5.661 -9.031 69 HZ3 LYS 6 2HZ LYS 6 -0.238 -6.542 -9.990 70 H LYS 7 H LYS 7 -2.398 -4.785 -1.625 71 HA LYS 7 HA LYS 7 -4.187 -6.814 -0.871 72 HB2 LYS 7 2HB LYS 7 -2.308 -6.272 0.533 73 HB3 LYS 7 3HB LYS 7 -2.880 -4.623 0.746 74 HG2 LYS 7 2HG LYS 7 -4.367 -5.198 2.338 75 HG3 LYS 7 3HG LYS 7 -4.740 -6.749 1.583 76 HD2 LYS 7 2HD LYS 7 -2.076 -6.949 2.401 77 HD3 LYS 7 3HD LYS 7 -2.912 -6.145 3.732 78 HE2 LYS 7 2HE LYS 7 -4.693 -8.043 3.295 79 HE3 LYS 7 3HE LYS 7 -3.301 -8.874 2.604 80 HZ1 LYS 7 3HZ LYS 7 -3.495 -9.449 4.903 81 HZ2 LYS 7 1HZ LYS 7 -3.548 -7.824 5.370 82 HZ3 LYS 7 2HZ LYS 7 -2.126 -8.471 4.721 83 H ILE 8 H ILE 8 -4.425 -3.364 0.010 84 HA ILE 8 HA ILE 8 -7.023 -3.390 0.934 85 HB ILE 8 HB ILE 8 -5.663 -1.130 -0.539 86 HG12 ILE 8 2HG1 ILE 8 -5.839 -1.644 2.436 87 HG13 ILE 8 3HG1 ILE 8 -4.437 -2.048 1.450 88 HG21 ILE 8 1HG2 ILE 8 -7.876 -0.475 -0.460 89 HG22 ILE 8 2HG2 ILE 8 -8.174 -1.301 1.069 90 HG23 ILE 8 3HG2 ILE 8 -7.242 0.196 1.043 91 HD11 ILE 8 3HD1 ILE 8 -3.991 0.011 2.531 92 HD12 ILE 8 1HD1 ILE 8 -4.292 0.368 0.830 93 HD13 ILE 8 2HD1 ILE 8 -5.544 0.682 2.033 94 H GLU 9 H GLU 9 -5.868 -2.986 -2.383 95 HA GLU 9 HA GLU 9 -8.366 -2.388 -3.547 96 HB2 GLU 9 2HB GLU 9 -6.246 -1.964 -4.695 97 HB3 GLU 9 3HB GLU 9 -5.933 -3.692 -4.779 98 HG2 GLU 9 2HG GLU 9 -8.477 -2.763 -5.947 99 HG3 GLU 9 3HG GLU 9 -7.001 -2.284 -6.784 100 H LYS 10 H LYS 10 -6.591 -5.457 -3.256 101 HA LYS 10 HA LYS 10 -8.538 -7.057 -4.514 102 HB2 LYS 10 2HB LYS 10 -6.317 -7.911 -4.273 103 HB3 LYS 10 3HB LYS 10 -6.365 -7.715 -2.526 104 HG2 LYS 10 2HG LYS 10 -7.753 -9.553 -2.231 105 HG3 LYS 10 3HG LYS 10 -8.286 -9.542 -3.913 106 HD2 LYS 10 2HD LYS 10 -5.967 -10.164 -4.581 107 HD3 LYS 10 3HD LYS 10 -5.566 -10.326 -2.870 108 HE2 LYS 10 2HE LYS 10 -7.847 -11.826 -4.124 109 HE3 LYS 10 3HE LYS 10 -6.199 -12.450 -4.142 110 HZ1 LYS 10 3HZ LYS 10 -6.219 -12.208 -1.675 111 HZ2 LYS 10 1HZ LYS 10 -7.297 -13.368 -2.271 112 HZ3 LYS 10 2HZ LYS 10 -7.872 -11.860 -1.766 113 H VAL 11 H VAL 11 -7.798 -6.754 -1.034 114 HA VAL 11 HA VAL 11 -9.947 -8.228 -0.075 115 HB VAL 11 HB VAL 11 -8.021 -7.432 1.296 116 HG11 VAL 11 1HG1 VAL 11 -7.805 -5.253 2.045 117 HG12 VAL 11 2HG1 VAL 11 -8.341 -5.023 0.379 118 HG13 VAL 11 3HG1 VAL 11 -9.490 -4.860 1.708 119 HG21 VAL 11 3HG2 VAL 11 -10.831 -6.972 2.264 120 HG22 VAL 11 1HG2 VAL 11 -9.817 -8.398 2.483 121 HG23 VAL 11 2HG2 VAL 11 -9.434 -6.904 3.338 122 H GLY 12 H GLY 12 -9.817 -4.933 -1.224 123 HA2 GLY 12 2HA GLY 12 -12.335 -4.128 -0.128 124 HA3 GLY 12 3HA GLY 12 -11.425 -3.286 -1.374 125 H ARG 13 H ARG 13 -11.295 -5.177 -3.362 126 HA ARG 13 HA ARG 13 -13.910 -4.969 -4.483 127 HB2 ARG 13 2HB ARG 13 -11.852 -4.815 -5.841 128 HB3 ARG 13 3HB ARG 13 -11.507 -6.503 -5.488 129 HG2 ARG 13 2HG ARG 13 -12.650 -7.054 -7.299 130 HG3 ARG 13 3HG ARG 13 -14.112 -6.464 -6.505 131 HD2 ARG 13 2HD ARG 13 -13.001 -4.140 -7.369 132 HD3 ARG 13 3HD ARG 13 -12.493 -5.254 -8.638 133 HE ARG 13 HE ARG 13 -15.290 -5.420 -7.972 134 HH11 ARG 13 1HH1 ARG 13 -12.885 -3.844 -9.934 135 HH12 ARG 13 2HH1 ARG 13 -14.011 -3.372 -11.164 136 HH21 ARG 13 1HH2 ARG 13 -16.781 -4.805 -9.584 137 HH22 ARG 13 2HH2 ARG 13 -16.226 -3.918 -10.964 138 H ASN 14 H ASN 14 -12.074 -7.512 -2.930 139 HA ASN 14 HA ASN 14 -13.492 -9.758 -3.714 140 HB2 ASN 14 2HB ASN 14 -11.442 -9.883 -2.384 141 HB3 ASN 14 3HB ASN 14 -12.275 -9.170 -1.006 142 HD21 ASN 14 1HD2 ASN 14 -12.794 -11.830 -3.302 143 HD22 ASN 14 2HD2 ASN 14 -13.245 -12.996 -2.108 144 H VAL 15 H VAL 15 -14.007 -7.995 -0.652 145 HA VAL 15 HA VAL 15 -16.350 -9.228 0.120 146 HB VAL 15 HB VAL 15 -15.713 -6.308 0.556 147 HG11 VAL 15 1HG1 VAL 15 -17.696 -6.337 1.582 148 HG12 VAL 15 2HG1 VAL 15 -17.799 -8.098 1.514 149 HG13 VAL 15 3HG1 VAL 15 -16.910 -7.315 2.822 150 HG21 VAL 15 3HG2 VAL 15 -14.526 -8.775 1.658 151 HG22 VAL 15 1HG2 VAL 15 -13.833 -7.164 1.472 152 HG23 VAL 15 2HG2 VAL 15 -14.911 -7.510 2.824 153 H ARG 16 H ARG 16 -16.066 -6.169 -1.694 154 HA ARG 16 HA ARG 16 -18.747 -5.659 -2.095 155 HB2 ARG 16 2HB ARG 16 -16.296 -4.665 -3.090 156 HB3 ARG 16 3HB ARG 16 -17.300 -5.014 -4.491 157 HG2 ARG 16 2HG ARG 16 -19.126 -3.721 -3.154 158 HG3 ARG 16 3HG ARG 16 -17.739 -3.059 -2.286 159 HD2 ARG 16 2HD ARG 16 -17.826 -3.066 -5.281 160 HD3 ARG 16 3HD ARG 16 -18.635 -1.801 -4.356 161 HE ARG 16 HE ARG 16 -15.924 -2.158 -3.542 162 HH11 ARG 16 1HH1 ARG 16 -17.957 -0.701 -5.964 163 HH12 ARG 16 2HH1 ARG 16 -16.819 0.545 -6.356 164 HH21 ARG 16 1HH2 ARG 16 -14.418 -0.522 -4.049 165 HH22 ARG 16 2HH2 ARG 16 -14.806 0.645 -5.267 166 H ASP 17 H ASP 17 -16.608 -7.226 -4.486 167 HA ASP 17 HA ASP 17 -18.552 -8.019 -6.279 168 HB2 ASP 17 2HB ASP 17 -16.192 -8.192 -6.809 169 HB3 ASP 17 3HB ASP 17 -15.965 -9.410 -5.557 170 H GLY 18 H GLY 18 -17.418 -9.680 -3.368 171 HA2 GLY 18 2HA GLY 18 -18.856 -12.076 -3.750 172 HA3 GLY 18 3HA GLY 18 -18.267 -11.470 -2.209 173 H ILE 19 H ILE 19 -19.699 -9.102 -2.006 174 HA ILE 19 HA ILE 19 -22.211 -10.086 -1.089 175 HB ILE 19 HB ILE 19 -21.253 -7.234 -1.361 176 HG12 ILE 19 2HG1 ILE 19 -21.410 -8.835 1.181 177 HG13 ILE 19 3HG1 ILE 19 -19.985 -8.914 0.150 178 HG21 ILE 19 1HG2 ILE 19 -23.089 -7.345 0.692 179 HG22 ILE 19 2HG2 ILE 19 -23.377 -6.712 -0.928 180 HG23 ILE 19 3HG2 ILE 19 -23.795 -8.382 -0.548 181 HD11 ILE 19 3HD1 ILE 19 -21.069 -6.304 1.144 182 HD12 ILE 19 1HD1 ILE 19 -19.950 -7.279 2.096 183 HD13 ILE 19 2HD1 ILE 19 -19.462 -6.668 0.515 184 H ILE 20 H ILE 20 -21.149 -8.286 -3.911 185 HA ILE 20 HA ILE 20 -23.771 -7.624 -4.826 186 HB ILE 20 HB ILE 20 -21.165 -7.723 -6.350 187 HG12 ILE 20 2HG1 ILE 20 -22.454 -5.159 -5.609 188 HG13 ILE 20 3HG1 ILE 20 -21.738 -6.076 -4.288 189 HG21 ILE 20 1HG2 ILE 20 -22.541 -7.600 -8.122 190 HG22 ILE 20 2HG2 ILE 20 -23.920 -7.100 -7.145 191 HG23 ILE 20 3HG2 ILE 20 -22.714 -5.912 -7.641 192 HD11 ILE 20 3HD1 ILE 20 -19.734 -6.179 -6.076 193 HD12 ILE 20 1HD1 ILE 20 -20.461 -4.631 -6.504 194 HD13 ILE 20 2HD1 ILE 20 -19.903 -4.918 -4.855 195 H LYS 21 H LYS 21 -21.343 -9.948 -6.028 196 HA LYS 21 HA LYS 21 -22.960 -11.190 -7.927 197 HB2 LYS 21 2HB LYS 21 -20.666 -12.312 -6.310 198 HB3 LYS 21 3HB LYS 21 -21.386 -13.123 -7.695 199 HG2 LYS 21 2HG LYS 21 -20.493 -10.349 -8.139 200 HG3 LYS 21 3HG LYS 21 -19.227 -11.544 -7.852 201 HD2 LYS 21 2HD LYS 21 -19.930 -12.859 -9.700 202 HD3 LYS 21 3HD LYS 21 -21.425 -11.937 -9.872 203 HE2 LYS 21 2HE LYS 21 -20.394 -10.201 -10.924 204 HE3 LYS 21 3HE LYS 21 -18.873 -10.441 -10.066 205 HZ1 LYS 21 3HZ LYS 21 -19.343 -11.135 -12.636 206 HZ2 LYS 21 1HZ LYS 21 -19.552 -12.607 -11.830 207 HZ3 LYS 21 2HZ LYS 21 -18.099 -11.756 -11.673 208 H ALA 22 H ALA 22 -22.820 -11.576 -4.474 209 HA ALA 22 HA ALA 22 -23.937 -14.071 -4.095 210 HB1 ALA 22 1HB ALA 22 -24.240 -11.527 -2.523 211 HB2 ALA 22 2HB ALA 22 -24.928 -13.061 -1.990 212 HB3 ALA 22 3HB ALA 22 -23.184 -12.900 -2.194 213 H GLY 23 H GLY 23 -25.921 -11.145 -3.694 214 HA2 GLY 23 2HA GLY 23 -27.836 -10.935 -5.329 215 HA3 GLY 23 3HA GLY 23 -28.146 -12.624 -4.953 216 HA PRO 24 HA PRO 24 -30.735 -11.521 -1.600 217 HB2 PRO 24 2HB PRO 24 -30.087 -13.337 0.311 218 HB3 PRO 24 3HB PRO 24 -30.982 -13.761 -1.153 219 HG2 PRO 24 2HG PRO 24 -28.069 -14.097 -0.551 220 HG3 PRO 24 3HG PRO 24 -29.187 -15.227 -1.338 221 HD2 PRO 24 2HD PRO 24 -27.447 -13.690 -2.732 222 HD3 PRO 24 3HD PRO 24 -29.036 -14.155 -3.373 223 H ALA 25 H ALA 25 -27.305 -11.752 -0.921 224 HA ALA 25 HA ALA 25 -27.155 -10.770 1.652 225 HB1 ALA 25 1HB ALA 25 -24.989 -9.596 0.501 226 HB2 ALA 25 2HB ALA 25 -25.062 -11.277 1.029 227 HB3 ALA 25 3HB ALA 25 -25.359 -10.871 -0.661 228 H VAL 26 H VAL 26 -27.840 -9.064 -1.319 229 HA VAL 26 HA VAL 26 -27.342 -6.439 -0.555 230 HB VAL 26 HB VAL 26 -29.586 -7.423 -2.323 231 HG11 VAL 26 1HG1 VAL 26 -30.196 -5.294 -2.480 232 HG12 VAL 26 2HG1 VAL 26 -28.871 -4.800 -1.424 233 HG13 VAL 26 3HG1 VAL 26 -28.614 -4.922 -3.165 234 HG21 VAL 26 3HG2 VAL 26 -26.728 -6.689 -2.934 235 HG22 VAL 26 1HG2 VAL 26 -27.509 -8.253 -3.163 236 HG23 VAL 26 2HG2 VAL 26 -27.979 -6.878 -4.162 237 H ALA 27 H ALA 27 -30.591 -7.908 -0.639 238 HA ALA 27 HA ALA 27 -31.854 -5.953 0.887 239 HB1 ALA 27 1HB ALA 27 -33.307 -8.202 1.448 240 HB2 ALA 27 2HB ALA 27 -33.496 -7.195 0.012 241 HB3 ALA 27 3HB ALA 27 -32.493 -8.643 -0.053 242 H VAL 28 H VAL 28 -30.371 -9.010 1.912 243 HA VAL 28 HA VAL 28 -31.078 -8.971 4.596 244 HB VAL 28 HB VAL 28 -28.495 -9.980 3.395 245 HG11 VAL 28 1HG1 VAL 28 -29.810 -10.566 6.045 246 HG12 VAL 28 2HG1 VAL 28 -28.442 -11.462 5.381 247 HG13 VAL 28 3HG1 VAL 28 -28.268 -9.753 5.783 248 HG21 VAL 28 3HG2 VAL 28 -30.912 -11.620 4.087 249 HG22 VAL 28 1HG2 VAL 28 -30.726 -10.864 2.504 250 HG23 VAL 28 2HG2 VAL 28 -29.542 -12.048 3.061 251 H VAL 29 H VAL 29 -27.918 -7.945 3.287 252 HA VAL 29 HA VAL 29 -26.998 -6.726 5.623 253 HB VAL 29 HB VAL 29 -26.292 -6.005 2.774 254 HG11 VAL 29 1HG1 VAL 29 -24.061 -5.483 4.099 255 HG12 VAL 29 2HG1 VAL 29 -25.339 -4.280 3.925 256 HG13 VAL 29 3HG1 VAL 29 -25.198 -5.208 5.418 257 HG21 VAL 29 3HG2 VAL 29 -25.845 -8.387 4.243 258 HG22 VAL 29 1HG2 VAL 29 -25.236 -7.953 2.646 259 HG23 VAL 29 2HG2 VAL 29 -24.298 -7.555 4.085 260 H GLY 30 H GLY 30 -28.591 -5.261 2.792 261 HA2 GLY 30 2HA GLY 30 -28.560 -2.610 3.605 262 HA3 GLY 30 3HA GLY 30 -29.803 -3.322 2.587 263 H GLN 31 H GLN 31 -31.023 -5.077 4.304 264 HA GLN 31 HA GLN 31 -32.805 -3.442 5.690 265 HB2 GLN 31 2HB GLN 31 -32.228 -6.374 5.696 266 HB3 GLN 31 3HB GLN 31 -33.302 -5.718 6.925 267 HG2 GLN 31 2HG GLN 31 -34.867 -5.003 5.332 268 HG3 GLN 31 3HG GLN 31 -33.724 -5.192 4.004 269 HE21 GLN 31 1HE2 GLN 31 -35.933 -6.783 6.136 270 HE22 GLN 31 2HE2 GLN 31 -35.934 -8.313 5.334 271 H ALA 32 H ALA 32 -30.536 -5.751 7.191 272 HA ALA 32 HA ALA 32 -30.774 -4.867 9.796 273 HB1 ALA 32 1HB ALA 32 -29.091 -6.296 10.275 274 HB2 ALA 32 2HB ALA 32 -29.371 -6.827 8.616 275 HB3 ALA 32 3HB ALA 32 -28.064 -5.698 8.972 276 H ALA 33 H ALA 33 -28.473 -3.773 7.318 277 HA ALA 33 HA ALA 33 -27.034 -1.967 8.882 278 HB1 ALA 33 1HB ALA 33 -26.270 -0.996 6.838 279 HB2 ALA 33 2HB ALA 33 -26.432 -2.734 6.584 280 HB3 ALA 33 3HB ALA 33 -27.657 -1.633 5.954 281 H THR 34 H THR 34 -29.915 -1.414 6.871 282 HA THR 34 HA THR 34 -30.145 1.342 7.446 283 HB THR 34 HB THR 34 -32.328 -0.583 6.624 284 HG1 THR 34 HG1 THR 34 -31.275 -0.576 4.795 285 HG21 THR 34 3HG2 THR 34 -33.582 1.238 7.136 286 HG22 THR 34 1HG2 THR 34 -33.031 1.777 5.551 287 HG23 THR 34 2HG2 THR 34 -32.218 2.348 7.008 288 H VAL 35 H VAL 35 -31.473 -1.544 8.978 289 HA VAL 35 HA VAL 35 -33.222 -0.191 10.753 290 HB VAL 35 HB VAL 35 -31.958 -2.921 11.035 291 HG11 VAL 35 1HG1 VAL 35 -32.727 -2.306 13.176 292 HG12 VAL 35 2HG1 VAL 35 -34.189 -1.562 12.525 293 HG13 VAL 35 3HG1 VAL 35 -34.000 -3.316 12.491 294 HG21 VAL 35 3HG2 VAL 35 -33.900 -1.954 9.218 295 HG22 VAL 35 1HG2 VAL 35 -33.364 -3.616 9.464 296 HG23 VAL 35 2HG2 VAL 35 -34.732 -2.986 10.382 297 H VAL 36 H VAL 36 -29.887 -1.335 11.038 298 HA VAL 36 HA VAL 36 -29.620 -0.589 13.787 299 HB VAL 36 HB VAL 36 -27.479 -1.164 11.733 300 HG11 VAL 36 1HG1 VAL 36 -27.332 -1.001 14.742 301 HG12 VAL 36 2HG1 VAL 36 -26.032 -1.562 13.688 302 HG13 VAL 36 3HG1 VAL 36 -26.588 0.110 13.592 303 HG21 VAL 36 3HG2 VAL 36 -27.850 -3.342 12.031 304 HG22 VAL 36 1HG2 VAL 36 -27.911 -3.162 13.784 305 HG23 VAL 36 2HG2 VAL 36 -29.362 -2.890 12.818 306 H LYS 37 H LYS 37 -28.306 0.771 10.763 307 HA LYS 37 HA LYS 37 -27.345 3.129 12.092 308 HB2 LYS 37 2HB LYS 37 -26.201 2.202 10.120 309 HB3 LYS 37 3HB LYS 37 -27.625 2.526 9.141 310 HG2 LYS 37 2HG LYS 37 -27.314 4.970 9.841 311 HG3 LYS 37 3HG LYS 37 -25.700 4.473 10.353 312 HD2 LYS 37 2HD LYS 37 -25.074 3.877 8.166 313 HD3 LYS 37 3HD LYS 37 -26.746 3.881 7.598 314 HE2 LYS 37 2HE LYS 37 -26.522 5.999 6.974 315 HE3 LYS 37 3HE LYS 37 -26.187 6.454 8.644 316 HZ1 LYS 37 3HZ LYS 37 -24.422 7.117 7.087 317 HZ2 LYS 37 1HZ LYS 37 -24.141 5.490 6.721 318 HZ3 LYS 37 2HZ LYS 37 -23.861 6.064 8.287 319 HN1 NH2 38 HN1 NH2 38 -29.516 3.604 9.025 Start of MODEL 6 1 H1 ARG 1 H ARG 1 4.312 -3.853 0.833 2 HA ARG 1 HA ARG 1 2.448 -4.421 2.011 3 HB2 ARG 1 2HB ARG 1 2.976 -1.747 2.496 4 HB3 ARG 1 3HB ARG 1 1.263 -1.755 2.097 5 HG2 ARG 1 2HG ARG 1 0.785 -3.292 3.857 6 HG3 ARG 1 3HG ARG 1 2.503 -3.550 4.167 7 HD2 ARG 1 2HD ARG 1 2.663 -1.103 4.720 8 HD3 ARG 1 3HD ARG 1 0.903 -1.042 4.634 9 HE ARG 1 HE ARG 1 0.806 -2.055 6.682 10 HH11 ARG 1 1HH1 ARG 1 4.000 -2.467 5.361 11 HH12 ARG 1 2HH1 ARG 1 4.654 -3.153 6.811 12 HH21 ARG 1 1HH2 ARG 1 1.655 -2.957 8.598 13 HH22 ARG 1 2HH2 ARG 1 3.319 -3.432 8.651 14 H TRP 2 H TRP 2 1.851 -2.235 -0.682 15 HA TRP 2 HA TRP 2 0.189 -2.117 -2.230 16 HB2 TRP 2 2HB TRP 2 -0.063 -5.032 -1.470 17 HB3 TRP 2 3HB TRP 2 -0.909 -4.296 -2.829 18 HD1 TRP 2 HD1 TRP 2 1.146 -2.773 -4.402 19 HE1 TRP 2 HE1 TRP 2 3.241 -3.868 -5.419 20 HE3 TRP 2 HE3 TRP 2 1.422 -6.918 -1.423 21 HZ2 TRP 2 HZ2 TRP 2 4.804 -6.184 -5.013 22 HZ3 TRP 2 HZ3 TRP 2 3.247 -8.524 -1.803 23 HH2 TRP 2 HH2 TRP 2 4.901 -8.163 -3.562 24 H LYS 3 H LYS 3 -0.465 -1.314 0.424 25 HA LYS 3 HA LYS 3 -2.881 -2.295 1.401 26 HB2 LYS 3 2HB LYS 3 -1.212 0.022 1.824 27 HB3 LYS 3 3HB LYS 3 -2.910 0.478 1.859 28 HG2 LYS 3 2HG LYS 3 -1.713 -1.744 3.501 29 HG3 LYS 3 3HG LYS 3 -1.976 -0.097 4.079 30 HD2 LYS 3 2HD LYS 3 -4.306 -0.308 3.965 31 HD3 LYS 3 3HD LYS 3 -4.215 -1.724 2.915 32 HE2 LYS 3 2HE LYS 3 -3.955 -3.142 4.643 33 HE3 LYS 3 3HE LYS 3 -2.897 -2.036 5.519 34 HZ1 LYS 3 3HZ LYS 3 -4.884 -2.290 6.767 35 HZ2 LYS 3 1HZ LYS 3 -5.861 -1.984 5.421 36 HZ3 LYS 3 2HZ LYS 3 -4.928 -0.742 6.088 37 H ILE 4 H ILE 4 -2.529 0.747 -0.429 38 HA ILE 4 HA ILE 4 -5.204 1.144 -0.988 39 HB ILE 4 HB ILE 4 -2.868 1.876 -2.757 40 HG12 ILE 4 2HG1 ILE 4 -4.025 4.024 -1.203 41 HG13 ILE 4 3HG1 ILE 4 -3.489 2.718 -0.152 42 HG21 ILE 4 1HG2 ILE 4 -4.639 3.815 -3.204 43 HG22 ILE 4 2HG2 ILE 4 -4.595 2.332 -4.156 44 HG23 ILE 4 3HG2 ILE 4 -5.760 2.502 -2.843 45 HD11 ILE 4 3HD1 ILE 4 -1.801 4.501 -0.572 46 HD12 ILE 4 1HD1 ILE 4 -1.266 2.869 -0.972 47 HD13 ILE 4 2HD1 ILE 4 -1.753 3.977 -2.255 48 H PHE 5 H PHE 5 -2.789 -0.517 -3.008 49 HA PHE 5 HA PHE 5 -4.405 -1.163 -5.161 50 HB2 PHE 5 2HB PHE 5 -1.815 -1.680 -4.471 51 HB3 PHE 5 3HB PHE 5 -2.527 -3.286 -4.362 52 HD1 PHE 5 HD1 PHE 5 -4.316 -3.603 -6.469 53 HD2 PHE 5 HD2 PHE 5 -0.720 -1.327 -6.444 54 HE1 PHE 5 HE1 PHE 5 -4.152 -3.842 -8.912 55 HE2 PHE 5 HE2 PHE 5 -0.550 -1.561 -8.887 56 HZ PHE 5 HZ PHE 5 -2.268 -2.819 -10.125 57 H LYS 6 H LYS 6 -3.601 -3.356 -2.463 58 HA LYS 6 HA LYS 6 -5.404 -5.368 -3.085 59 HB2 LYS 6 2HB LYS 6 -3.558 -5.403 -1.342 60 HB3 LYS 6 3HB LYS 6 -4.672 -4.567 -0.269 61 HG2 LYS 6 2HG LYS 6 -5.692 -7.026 -1.537 62 HG3 LYS 6 3HG LYS 6 -4.402 -7.231 -0.349 63 HD2 LYS 6 2HD LYS 6 -5.810 -5.719 1.164 64 HD3 LYS 6 3HD LYS 6 -7.126 -6.018 0.026 65 HE2 LYS 6 2HE LYS 6 -7.527 -7.733 1.458 66 HE3 LYS 6 3HE LYS 6 -6.351 -8.536 0.418 67 HZ1 LYS 6 3HZ LYS 6 -5.760 -7.208 3.008 68 HZ2 LYS 6 1HZ LYS 6 -4.615 -7.944 2.003 69 HZ3 LYS 6 2HZ LYS 6 -5.819 -8.877 2.738 70 H LYS 7 H LYS 7 -5.881 -2.450 -1.147 71 HA LYS 7 HA LYS 7 -8.461 -3.031 -0.208 72 HB2 LYS 7 2HB LYS 7 -7.010 -1.208 0.657 73 HB3 LYS 7 3HB LYS 7 -7.291 -0.313 -0.831 74 HG2 LYS 7 2HG LYS 7 -9.803 -0.592 -0.193 75 HG3 LYS 7 3HG LYS 7 -9.156 -0.871 1.426 76 HD2 LYS 7 2HD LYS 7 -7.806 1.376 0.399 77 HD3 LYS 7 3HD LYS 7 -9.515 1.601 0.017 78 HE2 LYS 7 2HE LYS 7 -10.044 1.109 2.399 79 HE3 LYS 7 3HE LYS 7 -8.313 1.067 2.731 80 HZ1 LYS 7 3HZ LYS 7 -9.711 3.415 1.576 81 HZ2 LYS 7 1HZ LYS 7 -8.116 3.347 2.137 82 HZ3 LYS 7 2HZ LYS 7 -9.402 3.225 3.228 83 H ILE 8 H ILE 8 -7.652 -0.691 -2.777 84 HA ILE 8 HA ILE 8 -10.198 -0.363 -3.789 85 HB ILE 8 HB ILE 8 -7.619 -0.312 -5.361 86 HG12 ILE 8 2HG1 ILE 8 -7.578 1.189 -3.420 87 HG13 ILE 8 3HG1 ILE 8 -7.650 2.104 -4.921 88 HG21 ILE 8 1HG2 ILE 8 -8.901 0.048 -7.139 89 HG22 ILE 8 2HG2 ILE 8 -10.358 0.055 -6.147 90 HG23 ILE 8 3HG2 ILE 8 -9.445 1.545 -6.383 91 HD11 ILE 8 3HD1 ILE 8 -10.115 2.315 -4.567 92 HD12 ILE 8 1HD1 ILE 8 -9.879 1.602 -2.972 93 HD13 ILE 8 2HD1 ILE 8 -9.113 3.140 -3.373 94 H GLU 9 H GLU 9 -7.762 -2.771 -4.706 95 HA GLU 9 HA GLU 9 -9.177 -3.939 -6.825 96 HB2 GLU 9 2HB GLU 9 -6.769 -4.323 -6.329 97 HB3 GLU 9 3HB GLU 9 -7.240 -5.299 -4.946 98 HG2 GLU 9 2HG GLU 9 -8.298 -6.913 -6.379 99 HG3 GLU 9 3HG GLU 9 -8.001 -5.903 -7.793 100 H LYS 10 H LYS 10 -8.825 -5.168 -3.493 101 HA LYS 10 HA LYS 10 -10.667 -7.234 -3.671 102 HB2 LYS 10 2HB LYS 10 -9.043 -6.759 -1.785 103 HB3 LYS 10 3HB LYS 10 -10.202 -5.577 -1.191 104 HG2 LYS 10 2HG LYS 10 -11.865 -7.588 -1.297 105 HG3 LYS 10 3HG LYS 10 -10.386 -8.550 -1.252 106 HD2 LYS 10 2HD LYS 10 -9.769 -7.018 0.758 107 HD3 LYS 10 3HD LYS 10 -11.502 -6.687 0.807 108 HE2 LYS 10 2HE LYS 10 -11.518 -9.381 0.611 109 HE3 LYS 10 3HE LYS 10 -10.013 -9.135 1.495 110 HZ1 LYS 10 3HZ LYS 10 -12.765 -8.478 2.302 111 HZ2 LYS 10 1HZ LYS 10 -11.473 -7.598 2.951 112 HZ3 LYS 10 2HZ LYS 10 -11.554 -9.273 3.176 113 H VAL 11 H VAL 11 -11.229 -3.976 -2.326 114 HA VAL 11 HA VAL 11 -13.933 -4.184 -1.824 115 HB VAL 11 HB VAL 11 -12.463 -1.738 -2.819 116 HG11 VAL 11 1HG1 VAL 11 -15.217 -2.185 -1.816 117 HG12 VAL 11 2HG1 VAL 11 -14.378 -0.730 -1.272 118 HG13 VAL 11 3HG1 VAL 11 -14.614 -1.021 -2.996 119 HG21 VAL 11 3HG2 VAL 11 -13.039 -1.716 -0.022 120 HG22 VAL 11 1HG2 VAL 11 -12.186 -3.206 -0.426 121 HG23 VAL 11 2HG2 VAL 11 -11.475 -1.644 -0.832 122 H GLY 12 H GLY 12 -12.289 -3.714 -4.876 123 HA2 GLY 12 2HA GLY 12 -14.556 -2.887 -6.378 124 HA3 GLY 12 3HA GLY 12 -13.064 -3.544 -7.034 125 H ARG 13 H ARG 13 -13.021 -6.060 -5.919 126 HA ARG 13 HA ARG 13 -14.945 -7.403 -7.567 127 HB2 ARG 13 2HB ARG 13 -12.558 -8.151 -7.170 128 HB3 ARG 13 3HB ARG 13 -13.069 -8.660 -5.566 129 HG2 ARG 13 2HG ARG 13 -13.346 -10.633 -6.619 130 HG3 ARG 13 3HG ARG 13 -14.914 -9.930 -7.020 131 HD2 ARG 13 2HD ARG 13 -13.566 -8.970 -9.075 132 HD3 ARG 13 3HD ARG 13 -12.517 -10.345 -8.734 133 HE ARG 13 HE ARG 13 -15.290 -11.055 -8.882 134 HH11 ARG 13 1HH1 ARG 13 -12.403 -10.469 -10.737 135 HH12 ARG 13 2HH1 ARG 13 -12.903 -11.455 -12.071 136 HH21 ARG 13 1HH2 ARG 13 -15.960 -12.355 -10.632 137 HH22 ARG 13 2HH2 ARG 13 -14.927 -12.527 -12.011 138 H ASN 14 H ASN 14 -14.601 -6.692 -4.169 139 HA ASN 14 HA ASN 14 -16.324 -8.566 -3.055 140 HB2 ASN 14 2HB ASN 14 -14.850 -6.849 -1.865 141 HB3 ASN 14 3HB ASN 14 -16.162 -5.702 -2.122 142 HD21 ASN 14 1HD2 ASN 14 -15.823 -5.796 0.324 143 HD22 ASN 14 2HD2 ASN 14 -16.841 -6.898 1.181 144 H VAL 15 H VAL 15 -17.202 -5.174 -3.733 145 HA VAL 15 HA VAL 15 -19.932 -5.422 -3.435 146 HB VAL 15 HB VAL 15 -18.573 -3.629 -5.450 147 HG11 VAL 15 1HG1 VAL 15 -20.739 -3.208 -5.919 148 HG12 VAL 15 2HG1 VAL 15 -21.309 -3.840 -4.374 149 HG13 VAL 15 3HG1 VAL 15 -20.642 -2.210 -4.469 150 HG21 VAL 15 3HG2 VAL 15 -17.455 -3.148 -3.463 151 HG22 VAL 15 1HG2 VAL 15 -18.766 -1.968 -3.489 152 HG23 VAL 15 2HG2 VAL 15 -18.895 -3.408 -2.477 153 H ARG 16 H ARG 16 -18.093 -5.643 -6.482 154 HA ARG 16 HA ARG 16 -20.178 -6.172 -8.210 155 HB2 ARG 16 2HB ARG 16 -17.284 -6.575 -8.209 156 HB3 ARG 16 3HB ARG 16 -18.139 -7.765 -9.180 157 HG2 ARG 16 2HG ARG 16 -18.718 -6.263 -10.751 158 HG3 ARG 16 3HG ARG 16 -18.977 -4.974 -9.574 159 HD2 ARG 16 2HD ARG 16 -16.627 -4.554 -9.419 160 HD3 ARG 16 3HD ARG 16 -16.257 -5.979 -10.389 161 HE ARG 16 HE ARG 16 -16.614 -4.730 -12.263 162 HH11 ARG 16 1HH1 ARG 16 -18.148 -3.154 -9.565 163 HH12 ARG 16 2HH1 ARG 16 -18.592 -1.746 -10.472 164 HH21 ARG 16 1HH2 ARG 16 -17.193 -2.882 -13.468 165 HH22 ARG 16 2HH2 ARG 16 -18.049 -1.593 -12.692 166 H ASP 17 H ASP 17 -18.074 -8.648 -6.729 167 HA ASP 17 HA ASP 17 -19.514 -10.876 -7.529 168 HB2 ASP 17 2HB ASP 17 -17.281 -11.020 -6.536 169 HB3 ASP 17 3HB ASP 17 -17.927 -10.504 -4.980 170 H GLY 18 H GLY 18 -19.945 -8.836 -4.673 171 HA2 GLY 18 2HA GLY 18 -21.893 -10.422 -3.392 172 HA3 GLY 18 3HA GLY 18 -21.648 -8.700 -3.141 173 H ILE 19 H ILE 19 -22.213 -7.735 -5.686 174 HA ILE 19 HA ILE 19 -25.066 -7.737 -5.616 175 HB ILE 19 HB ILE 19 -23.199 -6.572 -7.686 176 HG12 ILE 19 2HG1 ILE 19 -24.659 -5.069 -5.524 177 HG13 ILE 19 3HG1 ILE 19 -23.072 -5.774 -5.234 178 HG21 ILE 19 1HG2 ILE 19 -26.096 -6.748 -7.525 179 HG22 ILE 19 2HG2 ILE 19 -25.521 -5.088 -7.671 180 HG23 ILE 19 3HG2 ILE 19 -25.063 -6.289 -8.879 181 HD11 ILE 19 3HD1 ILE 19 -23.072 -3.359 -5.863 182 HD12 ILE 19 1HD1 ILE 19 -22.071 -4.394 -6.881 183 HD13 ILE 19 2HD1 ILE 19 -23.642 -3.841 -7.461 184 H ILE 20 H ILE 20 -22.631 -9.262 -7.639 185 HA ILE 20 HA ILE 20 -24.451 -10.189 -9.631 186 HB ILE 20 HB ILE 20 -21.685 -11.184 -8.933 187 HG12 ILE 20 2HG1 ILE 20 -22.259 -9.577 -11.369 188 HG13 ILE 20 3HG1 ILE 20 -22.258 -8.725 -9.829 189 HG21 ILE 20 1HG2 ILE 20 -22.355 -12.919 -10.212 190 HG22 ILE 20 2HG2 ILE 20 -23.664 -12.003 -10.959 191 HG23 ILE 20 3HG2 ILE 20 -22.008 -11.801 -11.531 192 HD11 ILE 20 3HD1 ILE 20 -19.969 -10.016 -9.541 193 HD12 ILE 20 1HD1 ILE 20 -20.026 -9.989 -11.303 194 HD13 ILE 20 2HD1 ILE 20 -20.080 -8.477 -10.396 195 H LYS 21 H LYS 21 -22.966 -11.655 -6.767 196 HA LYS 21 HA LYS 21 -23.833 -14.263 -7.054 197 HB2 LYS 21 2HB LYS 21 -23.212 -12.530 -4.705 198 HB3 LYS 21 3HB LYS 21 -23.979 -14.086 -4.412 199 HG2 LYS 21 2HG LYS 21 -21.860 -14.540 -6.216 200 HG3 LYS 21 3HG LYS 21 -21.240 -13.503 -4.929 201 HD2 LYS 21 2HD LYS 21 -21.884 -15.066 -3.252 202 HD3 LYS 21 3HD LYS 21 -22.807 -16.024 -4.412 203 HE2 LYS 21 2HE LYS 21 -20.880 -16.859 -5.433 204 HE3 LYS 21 3HE LYS 21 -19.861 -15.588 -4.758 205 HZ1 LYS 21 3HZ LYS 21 -20.265 -18.123 -3.740 206 HZ2 LYS 21 1HZ LYS 21 -21.082 -17.082 -2.686 207 HZ3 LYS 21 2HZ LYS 21 -19.437 -16.846 -3.002 208 H ALA 22 H ALA 22 -25.432 -11.977 -4.839 209 HA ALA 22 HA ALA 22 -27.938 -13.425 -5.213 210 HB1 ALA 22 1HB ALA 22 -27.307 -13.003 -2.933 211 HB2 ALA 22 2HB ALA 22 -27.149 -11.275 -3.253 212 HB3 ALA 22 3HB ALA 22 -28.736 -12.042 -3.315 213 H GLY 23 H GLY 23 -27.354 -9.949 -4.724 214 HA2 GLY 23 2HA GLY 23 -28.010 -8.929 -7.173 215 HA3 GLY 23 3HA GLY 23 -29.565 -9.273 -6.429 216 HA PRO 24 HA PRO 24 -29.492 -5.510 -4.193 217 HB2 PRO 24 2HB PRO 24 -30.344 -6.205 -1.711 218 HB3 PRO 24 3HB PRO 24 -31.411 -6.178 -3.120 219 HG2 PRO 24 2HG PRO 24 -30.036 -8.503 -1.829 220 HG3 PRO 24 3HG PRO 24 -31.698 -8.382 -2.437 221 HD2 PRO 24 2HD PRO 24 -29.718 -9.587 -3.838 222 HD3 PRO 24 3HD PRO 24 -31.057 -8.725 -4.624 223 H ALA 25 H ALA 25 -28.004 -4.265 -3.221 224 HA ALA 25 HA ALA 25 -25.704 -5.537 -1.998 225 HB1 ALA 25 1HB ALA 25 -24.563 -3.747 -2.686 226 HB2 ALA 25 2HB ALA 25 -26.021 -3.305 -3.576 227 HB3 ALA 25 3HB ALA 25 -25.726 -2.627 -1.975 228 H VAL 26 H VAL 26 -28.522 -3.765 -1.025 229 HA VAL 26 HA VAL 26 -27.786 -2.701 1.410 230 HB VAL 26 HB VAL 26 -29.988 -2.304 0.494 231 HG11 VAL 26 1HG1 VAL 26 -30.282 -4.579 -0.470 232 HG12 VAL 26 2HG1 VAL 26 -30.653 -5.170 1.151 233 HG13 VAL 26 3HG1 VAL 26 -31.703 -3.978 0.385 234 HG21 VAL 26 3HG2 VAL 26 -29.696 -2.075 2.917 235 HG22 VAL 26 1HG2 VAL 26 -31.335 -2.582 2.507 236 HG23 VAL 26 2HG2 VAL 26 -30.179 -3.758 3.133 237 H ALA 27 H ALA 27 -28.626 -6.034 0.623 238 HA ALA 27 HA ALA 27 -28.663 -6.987 3.296 239 HB1 ALA 27 1HB ALA 27 -29.022 -9.071 2.407 240 HB2 ALA 27 2HB ALA 27 -29.569 -8.048 1.078 241 HB3 ALA 27 3HB ALA 27 -27.967 -8.784 1.023 242 H VAL 28 H VAL 28 -26.225 -7.389 0.718 243 HA VAL 28 HA VAL 28 -24.266 -8.618 2.262 244 HB VAL 28 HB VAL 28 -23.829 -6.747 -0.070 245 HG11 VAL 28 1HG1 VAL 28 -21.675 -7.021 0.469 246 HG12 VAL 28 2HG1 VAL 28 -22.028 -8.347 1.580 247 HG13 VAL 28 3HG1 VAL 28 -21.869 -8.661 -0.149 248 HG21 VAL 28 3HG2 VAL 28 -23.649 -8.993 -1.300 249 HG22 VAL 28 1HG2 VAL 28 -24.490 -9.669 0.095 250 HG23 VAL 28 2HG2 VAL 28 -25.260 -8.413 -0.875 251 H VAL 29 H VAL 29 -25.002 -5.204 1.825 252 HA VAL 29 HA VAL 29 -22.687 -4.264 3.221 253 HB VAL 29 HB VAL 29 -25.268 -2.830 2.577 254 HG11 VAL 29 1HG1 VAL 29 -22.881 -2.042 4.063 255 HG12 VAL 29 2HG1 VAL 29 -23.301 -0.935 2.754 256 HG13 VAL 29 3HG1 VAL 29 -24.481 -1.304 4.012 257 HG21 VAL 29 3HG2 VAL 29 -24.510 -2.529 0.503 258 HG22 VAL 29 1HG2 VAL 29 -22.923 -2.029 1.088 259 HG23 VAL 29 2HG2 VAL 29 -23.279 -3.741 0.858 260 H GLY 30 H GLY 30 -26.161 -4.299 4.059 261 HA2 GLY 30 2HA GLY 30 -25.899 -3.417 6.690 262 HA3 GLY 30 3HA GLY 30 -27.220 -4.410 6.091 263 H GLN 31 H GLN 31 -26.064 -6.773 5.505 264 HA GLN 31 HA GLN 31 -25.851 -8.037 7.976 265 HB2 GLN 31 2HB GLN 31 -24.960 -8.916 5.230 266 HB3 GLN 31 3HB GLN 31 -24.911 -9.968 6.638 267 HG2 GLN 31 2HG GLN 31 -27.488 -8.644 6.123 268 HG3 GLN 31 3HG GLN 31 -26.978 -9.834 4.927 269 HE21 GLN 31 1HE2 GLN 31 -28.482 -11.364 5.422 270 HE22 GLN 31 2HE2 GLN 31 -28.513 -12.224 6.920 271 H ALA 32 H ALA 32 -23.222 -7.546 5.612 272 HA ALA 32 HA ALA 32 -21.121 -8.379 7.214 273 HB1 ALA 32 1HB ALA 32 -21.003 -6.192 5.142 274 HB2 ALA 32 2HB ALA 32 -19.661 -7.184 5.714 275 HB3 ALA 32 3HB ALA 32 -20.969 -7.920 4.788 276 H ALA 33 H ALA 33 -22.415 -5.089 6.812 277 HA ALA 33 HA ALA 33 -20.632 -3.768 8.505 278 HB1 ALA 33 1HB ALA 33 -23.529 -3.052 8.082 279 HB2 ALA 33 2HB ALA 33 -22.219 -1.972 8.561 280 HB3 ALA 33 3HB ALA 33 -22.234 -2.677 6.945 281 H THR 34 H THR 34 -23.765 -5.275 9.226 282 HA THR 34 HA THR 34 -23.810 -4.570 11.964 283 HB THR 34 HB THR 34 -25.185 -6.899 10.609 284 HG1 THR 34 HG1 THR 34 -25.891 -4.172 10.967 285 HG21 THR 34 3HG2 THR 34 -25.091 -7.060 13.076 286 HG22 THR 34 1HG2 THR 34 -26.733 -6.833 12.475 287 HG23 THR 34 2HG2 THR 34 -25.860 -5.477 13.187 288 H VAL 35 H VAL 35 -22.619 -7.410 10.233 289 HA VAL 35 HA VAL 35 -22.014 -8.946 12.540 290 HB VAL 35 HB VAL 35 -20.830 -9.122 9.766 291 HG11 VAL 35 1HG1 VAL 35 -19.354 -10.275 11.186 292 HG12 VAL 35 2HG1 VAL 35 -20.672 -10.942 12.152 293 HG13 VAL 35 3HG1 VAL 35 -20.403 -11.519 10.507 294 HG21 VAL 35 3HG2 VAL 35 -22.694 -11.198 10.541 295 HG22 VAL 35 1HG2 VAL 35 -23.435 -9.599 10.590 296 HG23 VAL 35 2HG2 VAL 35 -22.680 -10.175 9.104 297 H VAL 36 H VAL 36 -20.130 -6.716 10.545 298 HA VAL 36 HA VAL 36 -17.672 -7.169 11.930 299 HB VAL 36 HB VAL 36 -18.488 -4.861 10.159 300 HG11 VAL 36 1HG1 VAL 36 -16.020 -5.488 11.633 301 HG12 VAL 36 2HG1 VAL 36 -15.800 -5.024 9.945 302 HG13 VAL 36 3HG1 VAL 36 -16.638 -3.941 11.057 303 HG21 VAL 36 3HG2 VAL 36 -16.577 -6.675 9.019 304 HG22 VAL 36 1HG2 VAL 36 -18.021 -7.553 9.524 305 HG23 VAL 36 2HG2 VAL 36 -18.160 -6.193 8.409 306 H LYS 37 H LYS 37 -19.986 -4.458 11.911 307 HA LYS 37 HA LYS 37 -18.708 -3.012 13.977 308 HB2 LYS 37 2HB LYS 37 -20.257 -1.956 12.402 309 HB3 LYS 37 3HB LYS 37 -21.583 -2.918 13.042 310 HG2 LYS 37 2HG LYS 37 -21.997 -1.170 14.353 311 HG3 LYS 37 3HG LYS 37 -20.597 -1.700 15.289 312 HD2 LYS 37 2HD LYS 37 -19.178 -0.270 13.788 313 HD3 LYS 37 3HD LYS 37 -20.672 0.376 13.105 314 HE2 LYS 37 2HE LYS 37 -20.347 1.938 14.717 315 HE3 LYS 37 3HE LYS 37 -21.210 0.747 15.689 316 HZ1 LYS 37 3HZ LYS 37 -19.433 0.445 16.960 317 HZ2 LYS 37 1HZ LYS 37 -18.726 1.783 16.203 318 HZ3 LYS 37 2HZ LYS 37 -18.411 0.224 15.630 319 HN1 NH2 38 HN1 NH2 38 -22.240 -4.152 14.753 Start of MODEL 7 1 H1 ARG 1 H ARG 1 4.979 -3.973 -1.848 2 HA ARG 1 HA ARG 1 5.720 -4.579 -4.534 3 HB2 ARG 1 2HB ARG 1 4.908 -6.968 -4.444 4 HB3 ARG 1 3HB ARG 1 6.469 -6.672 -3.692 5 HG2 ARG 1 2HG ARG 1 5.336 -6.588 -1.489 6 HG3 ARG 1 3HG ARG 1 3.830 -7.032 -2.293 7 HD2 ARG 1 2HD ARG 1 6.130 -8.763 -2.892 8 HD3 ARG 1 3HD ARG 1 5.580 -8.802 -1.217 9 HE ARG 1 HE ARG 1 3.310 -9.059 -2.744 10 HH11 ARG 1 1HH1 ARG 1 6.304 -10.797 -2.375 11 HH12 ARG 1 2HH1 ARG 1 5.612 -12.334 -2.776 12 HH21 ARG 1 1HH2 ARG 1 2.387 -11.077 -3.273 13 HH22 ARG 1 2HH2 ARG 1 3.385 -12.492 -3.288 14 H TRP 2 H TRP 2 3.960 -2.752 -3.613 15 HA TRP 2 HA TRP 2 1.813 -2.004 -3.745 16 HB2 TRP 2 2HB TRP 2 1.873 -4.164 -5.841 17 HB3 TRP 2 3HB TRP 2 0.420 -3.210 -5.551 18 HD1 TRP 2 HD1 TRP 2 0.308 -0.852 -6.635 19 HE1 TRP 2 HE1 TRP 2 1.908 0.537 -8.095 20 HE3 TRP 2 HE3 TRP 2 4.518 -3.717 -6.177 21 HZ2 TRP 2 HZ2 TRP 2 4.599 0.433 -8.942 22 HZ3 TRP 2 HZ3 TRP 2 6.563 -3.002 -7.345 23 HH2 TRP 2 HH2 TRP 2 6.600 -0.971 -8.698 24 H LYS 3 H LYS 3 2.388 -3.975 -1.708 25 HA LYS 3 HA LYS 3 0.502 -5.987 -1.441 26 HB2 LYS 3 2HB LYS 3 1.668 -4.247 0.741 27 HB3 LYS 3 3HB LYS 3 0.870 -5.795 0.989 28 HG2 LYS 3 2HG LYS 3 2.610 -6.941 -0.214 29 HG3 LYS 3 3HG LYS 3 3.376 -5.407 -0.635 30 HD2 LYS 3 2HD LYS 3 4.648 -5.877 1.176 31 HD3 LYS 3 3HD LYS 3 3.288 -5.157 2.041 32 HE2 LYS 3 2HE LYS 3 2.448 -7.225 2.693 33 HE3 LYS 3 3HE LYS 3 3.326 -8.088 1.430 34 HZ1 LYS 3 3HZ LYS 3 4.143 -7.458 4.088 35 HZ2 LYS 3 1HZ LYS 3 5.271 -6.908 2.953 36 HZ3 LYS 3 2HZ LYS 3 4.828 -8.540 2.982 37 H ILE 4 H ILE 4 0.289 -2.804 0.161 38 HA ILE 4 HA ILE 4 -2.340 -2.993 0.995 39 HB ILE 4 HB ILE 4 -0.941 -0.469 0.102 40 HG12 ILE 4 2HG1 ILE 4 0.397 -1.657 1.753 41 HG13 ILE 4 3HG1 ILE 4 -0.333 -0.235 2.491 42 HG21 ILE 4 1HG2 ILE 4 -2.835 0.565 0.619 43 HG22 ILE 4 2HG2 ILE 4 -3.573 -0.961 1.103 44 HG23 ILE 4 3HG2 ILE 4 -2.665 -0.010 2.277 45 HD11 ILE 4 3HD1 ILE 4 -2.185 -1.915 3.216 46 HD12 ILE 4 1HD1 ILE 4 -0.926 -3.117 2.935 47 HD13 ILE 4 2HD1 ILE 4 -0.665 -1.824 4.106 48 H PHE 5 H PHE 5 -1.122 -1.526 -2.013 49 HA PHE 5 HA PHE 5 -3.525 -0.714 -3.107 50 HB2 PHE 5 2HB PHE 5 -0.895 -1.534 -4.245 51 HB3 PHE 5 3HB PHE 5 -2.254 -1.368 -5.352 52 HD1 PHE 5 HD2 PHE 5 -0.039 0.398 -3.022 53 HD2 PHE 5 HD1 PHE 5 -3.176 0.777 -5.874 54 HE1 PHE 5 HE2 PHE 5 0.325 2.830 -3.094 55 HE2 PHE 5 HE1 PHE 5 -2.816 3.210 -5.951 56 HZ PHE 5 HZ PHE 5 -1.065 4.240 -4.559 57 H LYS 6 H LYS 6 -1.840 -3.734 -3.985 58 HA LYS 6 HA LYS 6 -3.896 -4.901 -5.419 59 HB2 LYS 6 2HB LYS 6 -1.597 -5.774 -5.357 60 HB3 LYS 6 3HB LYS 6 -1.837 -6.294 -3.695 61 HG2 LYS 6 2HG LYS 6 -3.448 -7.922 -4.358 62 HG3 LYS 6 3HG LYS 6 -3.476 -7.299 -6.009 63 HD2 LYS 6 2HD LYS 6 -2.096 -9.133 -6.231 64 HD3 LYS 6 3HD LYS 6 -0.923 -7.843 -5.953 65 HE2 LYS 6 2HE LYS 6 -1.288 -8.520 -3.433 66 HE3 LYS 6 3HE LYS 6 -1.795 -10.049 -4.150 67 HZ1 LYS 6 3HZ LYS 6 0.488 -9.530 -5.472 68 HZ2 LYS 6 1HZ LYS 6 0.376 -10.516 -4.102 69 HZ3 LYS 6 2HZ LYS 6 0.842 -8.898 -3.943 70 H LYS 7 H LYS 7 -3.251 -5.059 -1.941 71 HA LYS 7 HA LYS 7 -5.231 -6.909 -1.251 72 HB2 LYS 7 2HB LYS 7 -3.756 -4.761 0.204 73 HB3 LYS 7 3HB LYS 7 -5.160 -5.480 0.983 74 HG2 LYS 7 2HG LYS 7 -4.140 -7.698 0.746 75 HG3 LYS 7 3HG LYS 7 -2.721 -6.953 0.005 76 HD2 LYS 7 2HD LYS 7 -1.935 -6.958 2.119 77 HD3 LYS 7 3HD LYS 7 -2.914 -5.497 2.274 78 HE2 LYS 7 2HE LYS 7 -4.602 -6.597 3.418 79 HE3 LYS 7 3HE LYS 7 -4.128 -8.179 2.801 80 HZ1 LYS 7 3HZ LYS 7 -3.494 -7.154 5.246 81 HZ2 LYS 7 1HZ LYS 7 -2.067 -6.954 4.360 82 HZ3 LYS 7 2HZ LYS 7 -2.762 -8.489 4.509 83 H ILE 8 H ILE 8 -5.427 -3.391 -0.692 84 HA ILE 8 HA ILE 8 -8.130 -3.254 -0.157 85 HB ILE 8 HB ILE 8 -6.468 -1.165 -1.571 86 HG12 ILE 8 2HG1 ILE 8 -5.480 -1.820 0.559 87 HG13 ILE 8 3HG1 ILE 8 -6.184 -0.213 0.694 88 HG21 ILE 8 1HG2 ILE 8 -8.583 -0.348 -1.862 89 HG22 ILE 8 2HG2 ILE 8 -9.213 -1.158 -0.429 90 HG23 ILE 8 3HG2 ILE 8 -8.228 0.295 -0.259 91 HD11 ILE 8 3HD1 ILE 8 -6.677 -1.471 2.671 92 HD12 ILE 8 1HD1 ILE 8 -8.168 -1.221 1.763 93 HD13 ILE 8 2HD1 ILE 8 -7.357 -2.787 1.713 94 H GLU 9 H GLU 9 -6.495 -3.126 -3.292 95 HA GLU 9 HA GLU 9 -8.744 -2.519 -4.860 96 HB2 GLU 9 2HB GLU 9 -6.130 -3.882 -5.451 97 HB3 GLU 9 3HB GLU 9 -7.364 -3.710 -6.691 98 HG2 GLU 9 2HG GLU 9 -6.403 -1.334 -5.151 99 HG3 GLU 9 3HG GLU 9 -5.497 -1.949 -6.533 100 H LYS 10 H LYS 10 -7.280 -5.652 -4.032 101 HA LYS 10 HA LYS 10 -9.168 -7.224 -5.430 102 HB2 LYS 10 2HB LYS 10 -7.233 -7.813 -3.201 103 HB3 LYS 10 3HB LYS 10 -8.324 -9.047 -3.819 104 HG2 LYS 10 2HG LYS 10 -6.934 -7.709 -5.966 105 HG3 LYS 10 3HG LYS 10 -5.808 -8.394 -4.792 106 HD2 LYS 10 2HD LYS 10 -6.775 -10.569 -5.034 107 HD3 LYS 10 3HD LYS 10 -8.097 -9.930 -6.014 108 HE2 LYS 10 2HE LYS 10 -5.723 -9.126 -7.279 109 HE3 LYS 10 3HE LYS 10 -5.487 -10.813 -6.826 110 HZ1 LYS 10 3HZ LYS 10 -7.402 -11.448 -8.032 111 HZ2 LYS 10 1HZ LYS 10 -6.514 -10.436 -9.057 112 HZ3 LYS 10 2HZ LYS 10 -7.889 -9.845 -8.269 113 H VAL 11 H VAL 11 -8.823 -6.680 -1.918 114 HA VAL 11 HA VAL 11 -11.158 -7.932 -1.108 115 HB VAL 11 HB VAL 11 -9.871 -5.500 0.141 116 HG11 VAL 11 1HG1 VAL 11 -11.873 -7.485 1.198 117 HG12 VAL 11 2HG1 VAL 11 -10.933 -6.407 2.232 118 HG13 VAL 11 3HG1 VAL 11 -12.056 -5.737 1.048 119 HG21 VAL 11 3HG2 VAL 11 -9.389 -8.451 0.481 120 HG22 VAL 11 1HG2 VAL 11 -8.234 -7.204 0.010 121 HG23 VAL 11 2HG2 VAL 11 -8.859 -7.251 1.659 122 H GLY 12 H GLY 12 -10.682 -4.723 -2.438 123 HA2 GLY 12 2HA GLY 12 -13.219 -3.660 -1.755 124 HA3 GLY 12 3HA GLY 12 -12.163 -3.068 -3.028 125 H ARG 13 H ARG 13 -12.040 -5.286 -4.683 126 HA ARG 13 HA ARG 13 -14.581 -5.077 -6.005 127 HB2 ARG 13 2HB ARG 13 -11.931 -5.708 -6.753 128 HB3 ARG 13 3HB ARG 13 -12.907 -7.121 -7.134 129 HG2 ARG 13 2HG ARG 13 -12.904 -5.793 -9.072 130 HG3 ARG 13 3HG ARG 13 -14.485 -5.550 -8.327 131 HD2 ARG 13 2HD ARG 13 -14.082 -3.379 -7.880 132 HD3 ARG 13 3HD ARG 13 -12.395 -3.674 -7.463 133 HE ARG 13 HE ARG 13 -13.429 -2.870 -10.012 134 HH11 ARG 13 1HH1 ARG 13 -10.835 -4.535 -8.394 135 HH12 ARG 13 2HH1 ARG 13 -9.693 -4.267 -9.669 136 HH21 ARG 13 1HH2 ARG 13 -11.935 -2.510 -11.697 137 HH22 ARG 13 2HH2 ARG 13 -10.320 -3.113 -11.547 138 H ASN 14 H ASN 14 -12.922 -7.464 -4.060 139 HA ASN 14 HA ASN 14 -14.327 -9.763 -4.654 140 HB2 ASN 14 2HB ASN 14 -12.857 -8.745 -2.301 141 HB3 ASN 14 3HB ASN 14 -14.007 -10.039 -1.971 142 HD21 ASN 14 1HD2 ASN 14 -11.927 -9.406 -4.766 143 HD22 ASN 14 2HD2 ASN 14 -11.081 -10.911 -4.694 144 H VAL 15 H VAL 15 -15.054 -7.780 -1.783 145 HA VAL 15 HA VAL 15 -17.533 -8.848 -1.218 146 HB VAL 15 HB VAL 15 -18.050 -6.652 -0.108 147 HG11 VAL 15 1HG1 VAL 15 -15.511 -8.158 0.404 148 HG12 VAL 15 2HG1 VAL 15 -15.990 -6.810 1.436 149 HG13 VAL 15 3HG1 VAL 15 -17.039 -8.220 1.282 150 HG21 VAL 15 3HG2 VAL 15 -15.390 -5.917 -1.317 151 HG22 VAL 15 1HG2 VAL 15 -16.941 -5.111 -1.550 152 HG23 VAL 15 2HG2 VAL 15 -16.134 -5.038 0.017 153 H ARG 16 H ARG 16 -16.729 -6.184 -3.401 154 HA ARG 16 HA ARG 16 -19.316 -5.325 -3.993 155 HB2 ARG 16 2HB ARG 16 -16.674 -4.875 -4.995 156 HB3 ARG 16 3HB ARG 16 -17.758 -5.127 -6.357 157 HG2 ARG 16 2HG ARG 16 -17.629 -2.783 -5.858 158 HG3 ARG 16 3HG ARG 16 -19.243 -3.375 -5.459 159 HD2 ARG 16 2HD ARG 16 -17.477 -3.616 -3.196 160 HD3 ARG 16 3HD ARG 16 -17.490 -1.960 -3.801 161 HE ARG 16 HE ARG 16 -20.117 -2.602 -3.691 162 HH11 ARG 16 1HH1 ARG 16 -17.508 -2.773 -1.392 163 HH12 ARG 16 2HH1 ARG 16 -18.531 -2.524 -0.016 164 HH21 ARG 16 1HH2 ARG 16 -21.474 -2.274 -1.887 165 HH22 ARG 16 2HH2 ARG 16 -20.787 -2.242 -0.299 166 H ASP 17 H ASP 17 -17.302 -7.315 -6.161 167 HA ASP 17 HA ASP 17 -19.345 -8.135 -7.847 168 HB2 ASP 17 2HB ASP 17 -16.742 -9.475 -7.110 169 HB3 ASP 17 3HB ASP 17 -17.814 -10.094 -8.364 170 H GLY 18 H GLY 18 -18.264 -9.503 -4.789 171 HA2 GLY 18 2HA GLY 18 -19.718 -11.919 -4.926 172 HA3 GLY 18 3HA GLY 18 -19.144 -11.151 -3.454 173 H ILE 19 H ILE 19 -20.535 -8.793 -3.441 174 HA ILE 19 HA ILE 19 -23.105 -9.670 -2.558 175 HB ILE 19 HB ILE 19 -22.035 -6.865 -2.895 176 HG12 ILE 19 2HG1 ILE 19 -22.380 -8.290 -0.280 177 HG13 ILE 19 3HG1 ILE 19 -20.944 -8.590 -1.253 178 HG21 ILE 19 1HG2 ILE 19 -23.868 -6.447 -1.115 179 HG22 ILE 19 2HG2 ILE 19 -24.331 -6.573 -2.811 180 HG23 ILE 19 3HG2 ILE 19 -24.569 -7.944 -1.728 181 HD11 ILE 19 3HD1 ILE 19 -21.846 -5.998 -0.039 182 HD12 ILE 19 1HD1 ILE 19 -20.379 -6.915 0.306 183 HD13 ILE 19 2HD1 ILE 19 -20.568 -6.104 -1.250 184 H ILE 20 H ILE 20 -21.881 -8.036 -5.411 185 HA ILE 20 HA ILE 20 -24.428 -7.285 -6.447 186 HB ILE 20 HB ILE 20 -21.794 -7.638 -7.883 187 HG12 ILE 20 2HG1 ILE 20 -23.025 -4.998 -7.194 188 HG13 ILE 20 3HG1 ILE 20 -22.152 -5.885 -5.948 189 HG21 ILE 20 1HG2 ILE 20 -23.302 -7.659 -9.617 190 HG22 ILE 20 2HG2 ILE 20 -24.467 -6.653 -8.759 191 HG23 ILE 20 3HG2 ILE 20 -23.013 -5.928 -9.445 192 HD11 ILE 20 3HD1 ILE 20 -21.146 -4.316 -8.146 193 HD12 ILE 20 1HD1 ILE 20 -20.313 -4.922 -6.715 194 HD13 ILE 20 2HD1 ILE 20 -20.466 -5.943 -8.145 195 H LYS 21 H LYS 21 -22.201 -9.968 -7.131 196 HA LYS 21 HA LYS 21 -23.708 -11.186 -9.152 197 HB2 LYS 21 2HB LYS 21 -21.663 -12.211 -7.204 198 HB3 LYS 21 3HB LYS 21 -22.470 -13.306 -8.319 199 HG2 LYS 21 2HG LYS 21 -21.538 -11.054 -9.785 200 HG3 LYS 21 3HG LYS 21 -20.219 -11.668 -8.785 201 HD2 LYS 21 2HD LYS 21 -20.277 -13.772 -9.789 202 HD3 LYS 21 3HD LYS 21 -21.909 -13.530 -10.418 203 HE2 LYS 21 2HE LYS 21 -21.141 -12.610 -12.299 204 HE3 LYS 21 3HE LYS 21 -20.054 -11.539 -11.416 205 HZ1 LYS 21 3HZ LYS 21 -19.121 -13.359 -13.011 206 HZ2 LYS 21 1HZ LYS 21 -19.341 -14.373 -11.674 207 HZ3 LYS 21 2HZ LYS 21 -18.336 -13.018 -11.552 208 H ALA 22 H ALA 22 -23.412 -12.324 -5.782 209 HA ALA 22 HA ALA 22 -26.003 -13.654 -6.052 210 HB1 ALA 22 1HB ALA 22 -25.348 -14.630 -3.792 211 HB2 ALA 22 2HB ALA 22 -24.383 -15.115 -5.187 212 HB3 ALA 22 3HB ALA 22 -23.764 -13.903 -4.066 213 H GLY 23 H GLY 23 -24.478 -12.102 -3.235 214 HA2 GLY 23 2HA GLY 23 -25.244 -10.239 -2.032 215 HA3 GLY 23 3HA GLY 23 -26.697 -10.225 -3.021 216 HA PRO 24 HA PRO 24 -27.313 -13.615 0.396 217 HB2 PRO 24 2HB PRO 24 -25.570 -13.517 2.475 218 HB3 PRO 24 3HB PRO 24 -25.295 -14.507 1.037 219 HG2 PRO 24 2HG PRO 24 -24.176 -11.818 1.727 220 HG3 PRO 24 3HG PRO 24 -23.356 -13.223 1.022 221 HD2 PRO 24 2HD PRO 24 -24.180 -11.118 -0.469 222 HD3 PRO 24 3HD PRO 24 -24.144 -12.778 -1.098 223 H ALA 25 H ALA 25 -27.868 -13.459 2.849 224 HA ALA 25 HA ALA 25 -29.473 -11.223 3.259 225 HB1 ALA 25 1HB ALA 25 -30.205 -12.343 5.050 226 HB2 ALA 25 2HB ALA 25 -29.138 -13.638 4.505 227 HB3 ALA 25 3HB ALA 25 -28.585 -12.496 5.731 228 H VAL 26 H VAL 26 -26.107 -11.706 3.907 229 HA VAL 26 HA VAL 26 -25.583 -9.899 5.924 230 HB VAL 26 HB VAL 26 -23.886 -10.384 3.472 231 HG11 VAL 26 1HG1 VAL 26 -22.507 -8.864 4.320 232 HG12 VAL 26 2HG1 VAL 26 -23.544 -8.649 5.732 233 HG13 VAL 26 3HG1 VAL 26 -22.299 -9.898 5.733 234 HG21 VAL 26 3HG2 VAL 26 -22.694 -11.916 5.199 235 HG22 VAL 26 1HG2 VAL 26 -24.246 -11.878 6.037 236 HG23 VAL 26 2HG2 VAL 26 -24.149 -12.495 4.388 237 H ALA 27 H ALA 27 -25.357 -9.187 2.432 238 HA ALA 27 HA ALA 27 -24.980 -6.450 2.636 239 HB1 ALA 27 1HB ALA 27 -25.839 -6.325 0.325 240 HB2 ALA 27 2HB ALA 27 -24.664 -7.621 0.550 241 HB3 ALA 27 3HB ALA 27 -26.385 -7.996 0.463 242 H VAL 28 H VAL 28 -28.033 -8.246 2.335 243 HA VAL 28 HA VAL 28 -29.771 -6.069 2.248 244 HB VAL 28 HB VAL 28 -30.304 -8.756 3.523 245 HG11 VAL 28 1HG1 VAL 28 -32.176 -6.663 2.423 246 HG12 VAL 28 2HG1 VAL 28 -32.655 -8.275 2.957 247 HG13 VAL 28 3HG1 VAL 28 -31.989 -7.123 4.115 248 HG21 VAL 28 3HG2 VAL 28 -30.205 -7.842 0.693 249 HG22 VAL 28 1HG2 VAL 28 -29.724 -9.384 1.400 250 HG23 VAL 28 2HG2 VAL 28 -31.432 -9.022 1.152 251 H VAL 29 H VAL 29 -29.177 -8.113 5.114 252 HA VAL 29 HA VAL 29 -30.399 -6.499 6.990 253 HB VAL 29 HB VAL 29 -27.922 -8.162 7.467 254 HG11 VAL 29 1HG1 VAL 29 -28.565 -6.594 9.285 255 HG12 VAL 29 2HG1 VAL 29 -30.130 -7.406 9.376 256 HG13 VAL 29 3HG1 VAL 29 -28.651 -8.292 9.751 257 HG21 VAL 29 3HG2 VAL 29 -29.139 -9.969 7.033 258 HG22 VAL 29 1HG2 VAL 29 -30.294 -9.488 8.276 259 HG23 VAL 29 2HG2 VAL 29 -30.517 -8.954 6.611 260 H GLY 30 H GLY 30 -26.952 -6.511 6.077 261 HA2 GLY 30 2HA GLY 30 -26.089 -4.482 7.777 262 HA3 GLY 30 3HA GLY 30 -25.346 -4.879 6.235 263 H GLN 31 H GLN 31 -26.918 -4.114 4.324 264 HA GLN 31 HA GLN 31 -26.721 -1.364 4.183 265 HB2 GLN 31 2HB GLN 31 -28.466 -3.312 2.693 266 HB3 GLN 31 3HB GLN 31 -28.477 -1.593 2.324 267 HG2 GLN 31 2HG GLN 31 -25.817 -2.831 2.426 268 HG3 GLN 31 3HG GLN 31 -26.870 -3.406 1.135 269 HE21 GLN 31 1HE2 GLN 31 -28.190 -1.346 0.241 270 HE22 GLN 31 2HE2 GLN 31 -27.152 -0.074 -0.295 271 H ALA 32 H ALA 32 -29.743 -3.209 4.638 272 HA ALA 32 HA ALA 32 -31.450 -1.086 5.085 273 HB1 ALA 32 1HB ALA 32 -32.976 -2.667 5.502 274 HB2 ALA 32 2HB ALA 32 -31.690 -3.810 5.114 275 HB3 ALA 32 3HB ALA 32 -32.016 -3.386 6.795 276 H ALA 33 H ALA 33 -29.652 -2.954 7.530 277 HA ALA 33 HA ALA 33 -30.503 -1.555 9.782 278 HB1 ALA 33 1HB ALA 33 -28.396 -2.373 10.836 279 HB2 ALA 33 2HB ALA 33 -29.337 -3.628 10.029 280 HB3 ALA 33 3HB ALA 33 -27.896 -2.970 9.253 281 H THR 34 H THR 34 -27.762 -0.928 7.625 282 HA THR 34 HA THR 34 -26.709 1.249 9.092 283 HB THR 34 HB THR 34 -26.433 0.708 6.129 284 HG1 THR 34 HG1 THR 34 -24.508 0.015 8.069 285 HG21 THR 34 3HG2 THR 34 -25.364 2.678 6.158 286 HG22 THR 34 1HG2 THR 34 -24.097 1.842 7.054 287 HG23 THR 34 2HG2 THR 34 -25.346 2.737 7.920 288 H VAL 35 H VAL 35 -29.022 1.037 6.428 289 HA VAL 35 HA VAL 35 -29.260 3.838 6.020 290 HB VAL 35 HB VAL 35 -31.231 1.649 5.342 291 HG11 VAL 35 1HG1 VAL 35 -32.512 3.526 5.089 292 HG12 VAL 35 2HG1 VAL 35 -31.124 4.563 4.753 293 HG13 VAL 35 3HG1 VAL 35 -31.736 3.475 3.507 294 HG21 VAL 35 3HG2 VAL 35 -28.658 2.241 4.283 295 HG22 VAL 35 1HG2 VAL 35 -29.818 1.025 3.749 296 HG23 VAL 35 2HG2 VAL 35 -29.868 2.651 3.068 297 H VAL 36 H VAL 36 -31.029 1.498 7.984 298 HA VAL 36 HA VAL 36 -33.033 3.353 8.833 299 HB VAL 36 HB VAL 36 -32.215 0.720 10.071 300 HG11 VAL 36 1HG1 VAL 36 -34.167 2.746 10.823 301 HG12 VAL 36 2HG1 VAL 36 -34.878 1.143 10.620 302 HG13 VAL 36 3HG1 VAL 36 -33.539 1.380 11.745 303 HG21 VAL 36 3HG2 VAL 36 -33.325 -0.321 8.447 304 HG22 VAL 36 1HG2 VAL 36 -34.729 0.723 8.666 305 HG23 VAL 36 2HG2 VAL 36 -33.417 1.221 7.597 306 H LYS 37 H LYS 37 -30.235 1.874 10.475 307 HA LYS 37 HA LYS 37 -30.483 3.721 12.694 308 HB2 LYS 37 2HB LYS 37 -28.306 1.692 12.171 309 HB3 LYS 37 3HB LYS 37 -28.668 2.485 13.699 310 HG2 LYS 37 2HG LYS 37 -30.946 1.371 13.565 311 HG3 LYS 37 3HG LYS 37 -30.266 0.389 12.265 312 HD2 LYS 37 2HD LYS 37 -29.484 -0.989 13.830 313 HD3 LYS 37 3HD LYS 37 -28.373 0.295 14.314 314 HE2 LYS 37 2HE LYS 37 -30.112 1.162 15.847 315 HE3 LYS 37 3HE LYS 37 -31.141 -0.200 15.408 316 HZ1 LYS 37 3HZ LYS 37 -28.451 -0.827 16.341 317 HZ2 LYS 37 1HZ LYS 37 -29.909 -1.641 16.614 318 HZ3 LYS 37 2HZ LYS 37 -29.541 -0.248 17.499 319 HN1 NH2 38 HN1 NH2 38 -27.067 3.062 11.189 Start of MODEL 8 1 H1 ARG 1 H ARG 1 0.778 -5.388 -7.777 2 HA ARG 1 HA ARG 1 2.763 -7.146 -7.069 3 HB2 ARG 1 2HB ARG 1 2.862 -5.593 -8.996 4 HB3 ARG 1 3HB ARG 1 3.164 -4.264 -7.885 5 HG2 ARG 1 2HG ARG 1 5.329 -4.662 -8.116 6 HG3 ARG 1 3HG ARG 1 5.084 -6.186 -7.260 7 HD2 ARG 1 2HD ARG 1 4.299 -6.938 -9.701 8 HD3 ARG 1 3HD ARG 1 5.424 -5.657 -10.153 9 HE ARG 1 HE ARG 1 6.559 -7.442 -8.244 10 HH11 ARG 1 1HH1 ARG 1 5.816 -7.065 -11.624 11 HH12 ARG 1 2HH1 ARG 1 7.070 -8.137 -12.154 12 HH21 ARG 1 1HH2 ARG 1 8.214 -8.855 -8.928 13 HH22 ARG 1 2HH2 ARG 1 8.433 -9.155 -10.619 14 H TRP 2 H TRP 2 1.730 -4.263 -5.404 15 HA TRP 2 HA TRP 2 3.889 -4.628 -3.437 16 HB2 TRP 2 2HB TRP 2 2.267 -2.222 -4.235 17 HB3 TRP 2 3HB TRP 2 3.121 -2.276 -2.696 18 HD1 TRP 2 HD1 TRP 2 5.878 -2.641 -2.905 19 HE1 TRP 2 HE1 TRP 2 7.491 -1.705 -4.679 20 HE3 TRP 2 HE3 TRP 2 2.496 -1.541 -6.578 21 HZ2 TRP 2 HZ2 TRP 2 7.349 -0.640 -7.289 22 HZ3 TRP 2 HZ3 TRP 2 3.317 -0.565 -8.682 23 HH2 TRP 2 HH2 TRP 2 5.693 -0.124 -9.029 24 H LYS 3 H LYS 3 3.283 -4.165 -1.157 25 HA LYS 3 HA LYS 3 1.257 -5.851 -0.270 26 HB2 LYS 3 2HB LYS 3 3.088 -5.237 1.178 27 HB3 LYS 3 3HB LYS 3 2.612 -3.544 1.134 28 HG2 LYS 3 2HG LYS 3 0.770 -3.896 2.505 29 HG3 LYS 3 3HG LYS 3 0.749 -5.633 2.193 30 HD2 LYS 3 2HD LYS 3 2.932 -5.798 3.397 31 HD3 LYS 3 3HD LYS 3 2.762 -4.095 3.830 32 HE2 LYS 3 2HE LYS 3 0.597 -6.072 4.452 33 HE3 LYS 3 3HE LYS 3 1.992 -5.892 5.515 34 HZ1 LYS 3 3HZ LYS 3 0.551 -4.397 6.431 35 HZ2 LYS 3 1HZ LYS 3 -0.174 -3.996 4.956 36 HZ3 LYS 3 2HZ LYS 3 1.354 -3.381 5.342 37 H ILE 4 H ILE 4 1.248 -2.300 0.085 38 HA ILE 4 HA ILE 4 -1.398 -2.003 0.808 39 HB ILE 4 HB ILE 4 0.170 -0.069 -0.901 40 HG12 ILE 4 2HG1 ILE 4 0.173 0.751 1.787 41 HG13 ILE 4 3HG1 ILE 4 0.561 -0.965 1.818 42 HG21 ILE 4 1HG2 ILE 4 -2.232 0.267 0.883 43 HG22 ILE 4 2HG2 ILE 4 -1.271 1.613 0.273 44 HG23 ILE 4 3HG2 ILE 4 -2.126 0.559 -0.853 45 HD11 ILE 4 3HD1 ILE 4 2.647 -0.451 1.316 46 HD12 ILE 4 1HD1 ILE 4 2.095 0.150 -0.247 47 HD13 ILE 4 2HD1 ILE 4 2.220 1.249 1.126 48 H PHE 5 H PHE 5 -0.041 -1.759 -2.480 49 HA PHE 5 HA PHE 5 -2.376 -1.291 -3.875 50 HB2 PHE 5 2HB PHE 5 -0.044 -1.286 -4.812 51 HB3 PHE 5 3HB PHE 5 -0.114 -3.044 -4.847 52 HD1 PHE 5 HD2 PHE 5 -2.340 -0.231 -5.890 53 HD2 PHE 5 HD1 PHE 5 -0.497 -3.927 -6.918 54 HE1 PHE 5 HE2 PHE 5 -3.403 -0.140 -8.107 55 HE2 PHE 5 HE1 PHE 5 -1.557 -3.842 -9.137 56 HZ PHE 5 HZ PHE 5 -3.013 -1.947 -9.733 57 H LYS 6 H LYS 6 -0.840 -4.487 -3.468 58 HA LYS 6 HA LYS 6 -2.889 -6.023 -4.521 59 HB2 LYS 6 2HB LYS 6 -0.550 -6.757 -3.821 60 HB3 LYS 6 3HB LYS 6 -1.188 -6.895 -2.188 61 HG2 LYS 6 2HG LYS 6 -1.488 -9.035 -2.857 62 HG3 LYS 6 3HG LYS 6 -3.012 -8.363 -3.443 63 HD2 LYS 6 2HD LYS 6 -1.072 -7.936 -5.457 64 HD3 LYS 6 3HD LYS 6 -0.913 -9.611 -4.922 65 HE2 LYS 6 2HE LYS 6 -3.499 -8.298 -5.753 66 HE3 LYS 6 3HE LYS 6 -2.512 -9.327 -6.791 67 HZ1 LYS 6 3HZ LYS 6 -4.470 -10.107 -4.966 68 HZ2 LYS 6 1HZ LYS 6 -2.988 -10.670 -4.374 69 HZ3 LYS 6 2HZ LYS 6 -3.493 -11.096 -5.930 70 H LYS 7 H LYS 7 -2.445 -4.865 -1.209 71 HA LYS 7 HA LYS 7 -4.585 -6.253 -0.036 72 HB2 LYS 7 2HB LYS 7 -2.784 -5.088 1.221 73 HB3 LYS 7 3HB LYS 7 -3.489 -3.547 0.749 74 HG2 LYS 7 2HG LYS 7 -5.021 -3.641 2.359 75 HG3 LYS 7 3HG LYS 7 -5.426 -5.319 1.990 76 HD2 LYS 7 2HD LYS 7 -3.071 -5.744 3.135 77 HD3 LYS 7 3HD LYS 7 -3.460 -4.214 3.926 78 HE2 LYS 7 2HE LYS 7 -5.809 -5.528 4.189 79 HE3 LYS 7 3HE LYS 7 -4.677 -6.879 4.235 80 HZ1 LYS 7 3HZ LYS 7 -4.445 -6.373 6.377 81 HZ2 LYS 7 1HZ LYS 7 -5.191 -4.863 6.207 82 HZ3 LYS 7 2HZ LYS 7 -3.542 -5.034 5.874 83 H ILE 8 H ILE 8 -4.514 -2.771 -0.813 84 HA ILE 8 HA ILE 8 -7.213 -2.272 -0.540 85 HB ILE 8 HB ILE 8 -5.339 -0.975 -2.522 86 HG12 ILE 8 2HG1 ILE 8 -6.076 -0.116 0.283 87 HG13 ILE 8 3HG1 ILE 8 -4.577 -0.936 -0.144 88 HG21 ILE 8 1HG2 ILE 8 -7.196 0.890 -1.648 89 HG22 ILE 8 2HG2 ILE 8 -7.152 0.105 -3.226 90 HG23 ILE 8 3HG2 ILE 8 -8.142 -0.571 -1.933 91 HD11 ILE 8 3HD1 ILE 8 -4.089 0.971 -1.689 92 HD12 ILE 8 1HD1 ILE 8 -5.479 1.800 -0.990 93 HD13 ILE 8 2HD1 ILE 8 -4.102 1.375 0.027 94 H GLU 9 H GLU 9 -5.466 -3.440 -3.385 95 HA GLU 9 HA GLU 9 -7.629 -3.331 -5.188 96 HB2 GLU 9 2HB GLU 9 -5.320 -3.557 -5.947 97 HB3 GLU 9 3HB GLU 9 -5.203 -5.135 -5.181 98 HG2 GLU 9 2HG GLU 9 -6.719 -6.098 -6.722 99 HG3 GLU 9 3HG GLU 9 -7.180 -4.519 -7.356 100 H LYS 10 H LYS 10 -6.348 -6.017 -3.239 101 HA LYS 10 HA LYS 10 -8.249 -7.926 -4.058 102 HB2 LYS 10 2HB LYS 10 -6.130 -8.511 -2.949 103 HB3 LYS 10 3HB LYS 10 -6.708 -7.775 -1.460 104 HG2 LYS 10 2HG LYS 10 -7.602 -9.707 -0.869 105 HG3 LYS 10 3HG LYS 10 -8.660 -9.644 -2.280 106 HD2 LYS 10 2HD LYS 10 -6.881 -10.697 -3.626 107 HD3 LYS 10 3HD LYS 10 -5.877 -10.809 -2.179 108 HE2 LYS 10 2HE LYS 10 -6.798 -12.885 -2.118 109 HE3 LYS 10 3HE LYS 10 -8.055 -12.014 -1.242 110 HZ1 LYS 10 3HZ LYS 10 -8.477 -11.929 -4.060 111 HZ2 LYS 10 1HZ LYS 10 -9.520 -12.448 -2.833 112 HZ3 LYS 10 2HZ LYS 10 -8.396 -13.522 -3.499 113 H VAL 11 H VAL 11 -8.075 -6.126 -0.979 114 HA VAL 11 HA VAL 11 -10.539 -6.916 0.035 115 HB VAL 11 HB VAL 11 -8.781 -5.695 1.316 116 HG11 VAL 11 1HG1 VAL 11 -8.375 -3.435 1.086 117 HG12 VAL 11 2HG1 VAL 11 -8.621 -3.926 -0.591 118 HG13 VAL 11 3HG1 VAL 11 -9.921 -3.130 0.297 119 HG21 VAL 11 3HG2 VAL 11 -11.604 -5.500 1.522 120 HG22 VAL 11 1HG2 VAL 11 -10.402 -5.442 2.811 121 HG23 VAL 11 2HG2 VAL 11 -10.915 -3.954 2.016 122 H GLY 12 H GLY 12 -9.758 -4.482 -2.343 123 HA2 GLY 12 2HA GLY 12 -12.285 -3.144 -2.256 124 HA3 GLY 12 3HA GLY 12 -11.071 -2.995 -3.518 125 H ARG 13 H ARG 13 -10.929 -5.733 -4.245 126 HA ARG 13 HA ARG 13 -13.255 -5.864 -5.937 127 HB2 ARG 13 2HB ARG 13 -10.683 -7.360 -5.715 128 HB3 ARG 13 3HB ARG 13 -12.023 -8.126 -6.557 129 HG2 ARG 13 2HG ARG 13 -12.120 -5.814 -7.810 130 HG3 ARG 13 3HG ARG 13 -10.432 -5.732 -7.301 131 HD2 ARG 13 2HD ARG 13 -9.813 -7.209 -8.849 132 HD3 ARG 13 3HD ARG 13 -11.083 -8.334 -8.373 133 HE ARG 13 HE ARG 13 -12.293 -6.310 -9.837 134 HH11 ARG 13 1HH1 ARG 13 -9.923 -8.811 -10.336 135 HH12 ARG 13 2HH1 ARG 13 -10.294 -9.009 -12.017 136 HH21 ARG 13 1HH2 ARG 13 -12.791 -6.561 -12.049 137 HH22 ARG 13 2HH2 ARG 13 -11.925 -7.728 -12.990 138 H ASN 14 H ASN 14 -12.068 -7.491 -3.080 139 HA ASN 14 HA ASN 14 -13.623 -9.787 -3.083 140 HB2 ASN 14 2HB ASN 14 -11.872 -9.436 -1.437 141 HB3 ASN 14 3HB ASN 14 -12.755 -8.081 -0.741 142 HD21 ASN 14 1HD2 ASN 14 -13.324 -8.718 1.219 143 HD22 ASN 14 2HD2 ASN 14 -14.153 -10.186 1.599 144 H VAL 15 H VAL 15 -14.391 -6.789 -1.303 145 HA VAL 15 HA VAL 15 -16.969 -7.423 -0.556 146 HB VAL 15 HB VAL 15 -16.034 -4.665 -1.356 147 HG11 VAL 15 1HG1 VAL 15 -18.068 -4.016 -0.748 148 HG12 VAL 15 2HG1 VAL 15 -18.501 -5.670 -0.308 149 HG13 VAL 15 3HG1 VAL 15 -17.741 -4.610 0.879 150 HG21 VAL 15 3HG2 VAL 15 -15.517 -6.323 1.072 151 HG22 VAL 15 1HG2 VAL 15 -14.425 -5.265 0.179 152 HG23 VAL 15 2HG2 VAL 15 -15.661 -4.572 1.229 153 H ARG 16 H ARG 16 -16.011 -5.547 -3.437 154 HA ARG 16 HA ARG 16 -18.507 -5.196 -4.559 155 HB2 ARG 16 2HB ARG 16 -15.750 -5.408 -5.696 156 HB3 ARG 16 3HB ARG 16 -17.121 -5.360 -6.796 157 HG2 ARG 16 2HG ARG 16 -17.125 -3.301 -4.701 158 HG3 ARG 16 3HG ARG 16 -15.822 -3.181 -5.885 159 HD2 ARG 16 2HD ARG 16 -17.762 -3.551 -7.603 160 HD3 ARG 16 3HD ARG 16 -18.774 -2.982 -6.276 161 HE ARG 16 HE ARG 16 -16.808 -1.117 -6.433 162 HH11 ARG 16 1HH1 ARG 16 -19.046 -2.477 -8.726 163 HH12 ARG 16 2HH1 ARG 16 -19.136 -1.039 -9.689 164 HH21 ARG 16 1HH2 ARG 16 -16.917 0.782 -7.692 165 HH22 ARG 16 2HH2 ARG 16 -17.923 0.814 -9.100 166 H ASP 17 H ASP 17 -16.197 -7.755 -5.488 167 HA ASP 17 HA ASP 17 -17.873 -9.216 -7.125 168 HB2 ASP 17 2HB ASP 17 -15.509 -9.707 -7.002 169 HB3 ASP 17 3HB ASP 17 -15.656 -10.191 -5.315 170 H GLY 18 H GLY 18 -17.511 -9.390 -3.609 171 HA2 GLY 18 2HA GLY 18 -19.173 -11.638 -3.207 172 HA3 GLY 18 3HA GLY 18 -18.775 -10.427 -1.997 173 H ILE 19 H ILE 19 -19.880 -8.161 -3.169 174 HA ILE 19 HA ILE 19 -22.617 -8.489 -2.460 175 HB ILE 19 HB ILE 19 -21.248 -6.141 -3.778 176 HG12 ILE 19 2HG1 ILE 19 -22.040 -6.351 -0.885 177 HG13 ILE 19 3HG1 ILE 19 -20.493 -6.980 -1.442 178 HG21 ILE 19 1HG2 ILE 19 -24.024 -6.647 -2.989 179 HG22 ILE 19 2HG2 ILE 19 -23.357 -5.130 -2.388 180 HG23 ILE 19 3HG2 ILE 19 -23.360 -5.467 -4.119 181 HD11 ILE 19 3HD1 ILE 19 -20.464 -4.659 -0.491 182 HD12 ILE 19 1HD1 ILE 19 -19.757 -4.836 -2.097 183 HD13 ILE 19 2HD1 ILE 19 -21.372 -4.149 -1.914 184 H ILE 20 H ILE 20 -20.876 -8.254 -5.502 185 HA ILE 20 HA ILE 20 -23.210 -7.998 -7.131 186 HB ILE 20 HB ILE 20 -20.419 -8.868 -7.890 187 HG12 ILE 20 2HG1 ILE 20 -21.649 -6.175 -8.413 188 HG13 ILE 20 3HG1 ILE 20 -20.854 -6.517 -6.881 189 HG21 ILE 20 1HG2 ILE 20 -22.769 -8.037 -9.584 190 HG22 ILE 20 2HG2 ILE 20 -21.119 -8.212 -10.182 191 HG23 ILE 20 3HG2 ILE 20 -21.982 -9.615 -9.552 192 HD11 ILE 20 3HD1 ILE 20 -19.679 -6.354 -9.621 193 HD12 ILE 20 1HD1 ILE 20 -19.187 -5.533 -8.140 194 HD13 ILE 20 2HD1 ILE 20 -18.865 -7.256 -8.343 195 H LYS 21 H LYS 21 -21.084 -10.688 -6.234 196 HA LYS 21 HA LYS 21 -22.436 -12.631 -7.807 197 HB2 LYS 21 2HB LYS 21 -20.128 -12.954 -7.073 198 HB3 LYS 21 3HB LYS 21 -20.647 -12.968 -5.392 199 HG2 LYS 21 2HG LYS 21 -21.271 -15.111 -5.479 200 HG3 LYS 21 3HG LYS 21 -22.014 -14.932 -7.070 201 HD2 LYS 21 2HD LYS 21 -19.945 -15.228 -8.175 202 HD3 LYS 21 3HD LYS 21 -19.031 -15.019 -6.679 203 HE2 LYS 21 2HE LYS 21 -20.972 -17.197 -6.565 204 HE3 LYS 21 3HE LYS 21 -19.743 -17.420 -7.809 205 HZ1 LYS 21 3HZ LYS 21 -19.101 -18.366 -5.653 206 HZ2 LYS 21 1HZ LYS 21 -19.170 -16.825 -4.957 207 HZ3 LYS 21 2HZ LYS 21 -18.031 -17.158 -6.162 208 H ALA 22 H ALA 22 -22.353 -12.199 -4.264 209 HA ALA 22 HA ALA 22 -24.329 -14.007 -3.595 210 HB1 ALA 22 1HB ALA 22 -23.737 -11.382 -2.233 211 HB2 ALA 22 2HB ALA 22 -24.601 -12.746 -1.523 212 HB3 ALA 22 3HB ALA 22 -22.897 -12.907 -1.951 213 H GLY 23 H GLY 23 -24.948 -10.501 -3.485 214 HA2 GLY 23 2HA GLY 23 -26.968 -10.217 -5.285 215 HA3 GLY 23 3HA GLY 23 -27.765 -10.940 -3.896 216 HA PRO 24 HA PRO 24 -27.316 -6.219 -3.533 217 HB2 PRO 24 2HB PRO 24 -29.901 -5.547 -4.021 218 HB3 PRO 24 3HB PRO 24 -28.679 -5.648 -5.293 219 HG2 PRO 24 2HG PRO 24 -30.759 -7.650 -4.502 220 HG3 PRO 24 3HG PRO 24 -30.254 -7.144 -6.125 221 HD2 PRO 24 2HD PRO 24 -29.392 -9.442 -4.982 222 HD3 PRO 24 3HD PRO 24 -28.390 -8.500 -6.105 223 H ALA 25 H ALA 25 -29.339 -8.738 -2.341 224 HA ALA 25 HA ALA 25 -30.855 -7.509 -0.391 225 HB1 ALA 25 1HB ALA 25 -30.404 -10.083 -1.121 226 HB2 ALA 25 2HB ALA 25 -29.627 -10.034 0.462 227 HB3 ALA 25 3HB ALA 25 -31.327 -9.592 0.301 228 H VAL 26 H VAL 26 -27.426 -8.182 -0.415 229 HA VAL 26 HA VAL 26 -26.771 -8.015 2.258 230 HB VAL 26 HB VAL 26 -25.094 -8.533 0.597 231 HG11 VAL 26 1HG1 VAL 26 -26.015 -6.932 -1.116 232 HG12 VAL 26 2HG1 VAL 26 -25.149 -5.650 -0.268 233 HG13 VAL 26 3HG1 VAL 26 -24.257 -6.987 -0.995 234 HG21 VAL 26 3HG2 VAL 26 -23.329 -7.572 1.684 235 HG22 VAL 26 1HG2 VAL 26 -24.057 -5.966 1.678 236 HG23 VAL 26 2HG2 VAL 26 -24.617 -7.184 2.824 237 H ALA 27 H ALA 27 -27.463 -5.404 -0.009 238 HA ALA 27 HA ALA 27 -26.727 -3.280 1.724 239 HB1 ALA 27 1HB ALA 27 -28.721 -3.121 -0.526 240 HB2 ALA 27 2HB ALA 27 -27.717 -1.827 0.130 241 HB3 ALA 27 3HB ALA 27 -26.975 -3.145 -0.777 242 H VAL 28 H VAL 28 -29.951 -4.467 0.747 243 HA VAL 28 HA VAL 28 -31.455 -2.896 2.478 244 HB VAL 28 HB VAL 28 -32.147 -5.712 1.634 245 HG11 VAL 28 1HG1 VAL 28 -33.683 -3.418 2.765 246 HG12 VAL 28 2HG1 VAL 28 -34.484 -4.533 1.656 247 HG13 VAL 28 3HG1 VAL 28 -33.774 -5.136 3.154 248 HG21 VAL 28 3HG2 VAL 28 -31.586 -4.567 -0.361 249 HG22 VAL 28 1HG2 VAL 28 -33.346 -4.531 -0.252 250 HG23 VAL 28 2HG2 VAL 28 -32.407 -3.098 0.165 251 H VAL 29 H VAL 29 -29.849 -5.980 3.031 252 HA VAL 29 HA VAL 29 -30.992 -6.401 5.621 253 HB VAL 29 HB VAL 29 -28.540 -7.644 4.366 254 HG11 VAL 29 1HG1 VAL 29 -28.245 -8.099 6.604 255 HG12 VAL 29 2HG1 VAL 29 -29.978 -8.127 6.937 256 HG13 VAL 29 3HG1 VAL 29 -29.218 -9.480 6.097 257 HG21 VAL 29 3HG2 VAL 29 -29.895 -8.979 3.210 258 HG22 VAL 29 1HG2 VAL 29 -30.845 -9.355 4.648 259 HG23 VAL 29 2HG2 VAL 29 -31.231 -7.929 3.684 260 H GLY 30 H GLY 30 -27.670 -5.599 4.574 261 HA2 GLY 30 2HA GLY 30 -26.602 -5.106 7.093 262 HA3 GLY 30 3HA GLY 30 -26.020 -4.380 5.602 263 H GLN 31 H GLN 31 -28.084 -2.775 4.848 264 HA GLN 31 HA GLN 31 -27.706 -0.482 6.374 265 HB2 GLN 31 2HB GLN 31 -28.631 -0.769 3.968 266 HB3 GLN 31 3HB GLN 31 -30.198 -0.906 4.753 267 HG2 GLN 31 2HG GLN 31 -30.071 1.286 5.612 268 HG3 GLN 31 3HG GLN 31 -28.358 1.419 5.217 269 HE21 GLN 31 1HE2 GLN 31 -31.529 1.943 4.170 270 HE22 GLN 31 2HE2 GLN 31 -31.174 2.443 2.554 271 H ALA 32 H ALA 32 -30.763 -2.308 6.123 272 HA ALA 32 HA ALA 32 -32.100 -1.061 8.202 273 HB1 ALA 32 1HB ALA 32 -33.308 -2.464 6.708 274 HB2 ALA 32 2HB ALA 32 -32.345 -3.873 7.154 275 HB3 ALA 32 3HB ALA 32 -33.462 -3.164 8.320 276 H ALA 33 H ALA 33 -29.996 -3.913 8.306 277 HA ALA 33 HA ALA 33 -30.364 -4.577 10.999 278 HB1 ALA 33 1HB ALA 33 -29.293 -6.180 9.671 279 HB2 ALA 33 2HB ALA 33 -28.090 -5.027 9.093 280 HB3 ALA 33 3HB ALA 33 -28.034 -5.597 10.761 281 H THR 34 H THR 34 -27.945 -2.466 9.473 282 HA THR 34 HA THR 34 -26.626 -1.787 11.891 283 HB THR 34 HB THR 34 -25.592 0.044 10.599 284 HG1 THR 34 HG1 THR 34 -26.197 0.206 8.354 285 HG21 THR 34 3HG2 THR 34 -25.019 -1.667 8.542 286 HG22 THR 34 1HG2 THR 34 -25.600 -2.771 9.787 287 HG23 THR 34 2HG2 THR 34 -24.246 -1.693 10.126 288 H VAL 35 H VAL 35 -29.272 -0.330 10.073 289 HA VAL 35 HA VAL 35 -29.417 2.068 11.581 290 HB VAL 35 HB VAL 35 -31.570 0.692 9.968 291 HG11 VAL 35 1HG1 VAL 35 -31.558 3.124 11.582 292 HG12 VAL 35 2HG1 VAL 35 -32.095 3.381 9.920 293 HG13 VAL 35 3HG1 VAL 35 -32.912 2.195 10.940 294 HG21 VAL 35 3HG2 VAL 35 -29.184 1.925 9.144 295 HG22 VAL 35 1HG2 VAL 35 -30.543 1.422 8.139 296 HG23 VAL 35 2HG2 VAL 35 -30.480 3.063 8.780 297 H VAL 36 H VAL 36 -31.055 -1.058 11.830 298 HA VAL 36 HA VAL 36 -32.727 -0.251 14.013 299 HB VAL 36 HB VAL 36 -32.050 -3.023 13.020 300 HG11 VAL 36 1HG1 VAL 36 -34.012 -2.017 15.052 301 HG12 VAL 36 2HG1 VAL 36 -34.280 -3.531 14.186 302 HG13 VAL 36 3HG1 VAL 36 -32.845 -3.331 15.193 303 HG21 VAL 36 3HG2 VAL 36 -34.730 -2.010 12.521 304 HG22 VAL 36 1HG2 VAL 36 -33.479 -1.043 11.739 305 HG23 VAL 36 2HG2 VAL 36 -33.586 -2.774 11.417 306 H LYS 37 H LYS 37 -29.818 -2.274 13.716 307 HA LYS 37 HA LYS 37 -29.575 -2.383 16.622 308 HB2 LYS 37 2HB LYS 37 -27.778 -3.650 14.550 309 HB3 LYS 37 3HB LYS 37 -27.859 -4.034 16.265 310 HG2 LYS 37 2HG LYS 37 -30.052 -4.976 16.008 311 HG3 LYS 37 3HG LYS 37 -30.120 -4.455 14.322 312 HD2 LYS 37 2HD LYS 37 -27.860 -5.886 14.240 313 HD3 LYS 37 3HD LYS 37 -28.677 -6.727 15.559 314 HE2 LYS 37 2HE LYS 37 -29.755 -6.254 12.782 315 HE3 LYS 37 3HE LYS 37 -29.195 -7.789 13.443 316 HZ1 LYS 37 3HZ LYS 37 -31.302 -8.113 14.025 317 HZ2 LYS 37 1HZ LYS 37 -31.734 -6.504 13.733 318 HZ3 LYS 37 2HZ LYS 37 -31.073 -6.944 15.226 319 HN1 NH2 38 HN1 NH2 38 -26.472 -2.057 14.491 Start of MODEL 9 1 H1 ARG 1 H ARG 1 3.185 0.088 -0.139 2 HA ARG 1 HA ARG 1 1.285 -0.415 -1.387 3 HB2 ARG 1 2HB ARG 1 3.651 -1.727 -2.705 4 HB3 ARG 1 3HB ARG 1 2.068 -1.703 -3.471 5 HG2 ARG 1 2HG ARG 1 2.717 0.227 -4.368 6 HG3 ARG 1 3HG ARG 1 2.427 0.921 -2.771 7 HD2 ARG 1 2HD ARG 1 4.892 0.033 -2.358 8 HD3 ARG 1 3HD ARG 1 4.983 0.215 -4.109 9 HE ARG 1 HE ARG 1 4.991 2.301 -2.176 10 HH11 ARG 1 1HH1 ARG 1 3.930 1.493 -5.392 11 HH12 ARG 1 2HH1 ARG 1 3.948 3.132 -5.951 12 HH21 ARG 1 1HH2 ARG 1 5.019 4.464 -2.900 13 HH22 ARG 1 2HH2 ARG 1 4.569 4.822 -4.533 14 H TRP 2 H TRP 2 0.036 -1.668 0.057 15 HA TRP 2 HA TRP 2 -0.493 -4.320 -0.881 16 HB2 TRP 2 2HB TRP 2 1.483 -4.554 0.736 17 HB3 TRP 2 3HB TRP 2 0.342 -4.129 2.008 18 HD1 TRP 2 HD1 TRP 2 0.004 -6.617 -0.964 19 HE1 TRP 2 HE1 TRP 2 -0.760 -8.881 -0.008 20 HE3 TRP 2 HE3 TRP 2 -0.073 -5.415 4.005 21 HZ2 TRP 2 HZ2 TRP 2 -1.321 -10.008 2.519 22 HZ3 TRP 2 HZ3 TRP 2 -0.735 -7.144 5.626 23 HH2 TRP 2 HH2 TRP 2 -1.347 -9.392 4.896 24 H LYS 3 H LYS 3 -0.935 -2.182 1.935 25 HA LYS 3 HA LYS 3 -3.418 -3.052 2.765 26 HB2 LYS 3 2HB LYS 3 -2.163 -0.313 2.816 27 HB3 LYS 3 3HB LYS 3 -3.732 -0.633 3.543 28 HG2 LYS 3 2HG LYS 3 -2.781 -2.172 5.096 29 HG3 LYS 3 3HG LYS 3 -1.221 -2.121 4.272 30 HD2 LYS 3 2HD LYS 3 -0.649 -0.526 5.725 31 HD3 LYS 3 3HD LYS 3 -1.756 0.534 4.848 32 HE2 LYS 3 2HE LYS 3 -2.449 0.723 7.065 33 HE3 LYS 3 3HE LYS 3 -3.576 -0.443 6.374 34 HZ1 LYS 3 3HZ LYS 3 -1.128 -1.261 7.828 35 HZ2 LYS 3 1HZ LYS 3 -2.462 -2.217 7.414 36 HZ3 LYS 3 2HZ LYS 3 -2.612 -1.025 8.605 37 H ILE 4 H ILE 4 -3.077 0.005 0.980 38 HA ILE 4 HA ILE 4 -5.709 0.202 0.159 39 HB ILE 4 HB ILE 4 -4.925 1.725 -1.607 40 HG12 ILE 4 2HG1 ILE 4 -2.235 2.042 -1.246 41 HG13 ILE 4 3HG1 ILE 4 -2.399 0.295 -1.100 42 HG21 ILE 4 1HG2 ILE 4 -3.790 3.340 -0.136 43 HG22 ILE 4 2HG2 ILE 4 -5.170 2.572 0.648 44 HG23 ILE 4 3HG2 ILE 4 -3.531 2.057 1.045 45 HD11 ILE 4 3HD1 ILE 4 -2.040 0.505 -3.339 46 HD12 ILE 4 1HD1 ILE 4 -3.801 0.567 -3.297 47 HD13 ILE 4 2HD1 ILE 4 -2.869 2.057 -3.442 48 H PHE 5 H PHE 5 -3.039 -1.531 -1.330 49 HA PHE 5 HA PHE 5 -4.190 -2.079 -3.816 50 HB2 PHE 5 2HB PHE 5 -1.891 -2.930 -2.333 51 HB3 PHE 5 3HB PHE 5 -2.667 -4.341 -3.044 52 HD1 PHE 5 HD1 PHE 5 -3.120 -4.334 -5.532 53 HD2 PHE 5 HD2 PHE 5 -0.584 -1.495 -3.628 54 HE1 PHE 5 HE1 PHE 5 -2.080 -3.814 -7.700 55 HE2 PHE 5 HE2 PHE 5 0.459 -0.970 -5.793 56 HZ PHE 5 HZ PHE 5 -0.289 -2.129 -7.833 57 H LYS 6 H LYS 6 -3.875 -4.454 -1.179 58 HA LYS 6 HA LYS 6 -5.762 -6.246 -2.189 59 HB2 LYS 6 2HB LYS 6 -4.650 -5.780 0.565 60 HB3 LYS 6 3HB LYS 6 -5.878 -7.007 0.282 61 HG2 LYS 6 2HG LYS 6 -4.096 -7.614 -1.663 62 HG3 LYS 6 3HG LYS 6 -3.026 -6.992 -0.404 63 HD2 LYS 6 2HD LYS 6 -3.122 -9.064 0.443 64 HD3 LYS 6 3HD LYS 6 -4.725 -8.600 1.019 65 HE2 LYS 6 2HE LYS 6 -5.709 -9.497 -1.043 66 HE3 LYS 6 3HE LYS 6 -4.105 -9.976 -1.595 67 HZ1 LYS 6 3HZ LYS 6 -3.987 -11.666 -0.078 68 HZ2 LYS 6 1HZ LYS 6 -5.649 -11.673 -0.397 69 HZ3 LYS 6 2HZ LYS 6 -5.060 -10.939 1.009 70 H LYS 7 H LYS 7 -6.133 -3.464 -0.076 71 HA LYS 7 HA LYS 7 -8.767 -3.940 0.775 72 HB2 LYS 7 2HB LYS 7 -7.311 -2.267 1.820 73 HB3 LYS 7 3HB LYS 7 -7.343 -1.306 0.348 74 HG2 LYS 7 2HG LYS 7 -9.423 -0.502 0.750 75 HG3 LYS 7 3HG LYS 7 -9.953 -1.972 1.572 76 HD2 LYS 7 2HD LYS 7 -8.196 -1.197 3.375 77 HD3 LYS 7 3HD LYS 7 -8.479 0.386 2.646 78 HE2 LYS 7 2HE LYS 7 -10.980 -0.943 3.072 79 HE3 LYS 7 3HE LYS 7 -10.048 -0.950 4.568 80 HZ1 LYS 7 3HZ LYS 7 -11.502 1.031 4.239 81 HZ2 LYS 7 1HZ LYS 7 -10.509 1.491 2.948 82 HZ3 LYS 7 2HZ LYS 7 -9.874 1.399 4.513 83 H ILE 8 H ILE 8 -7.707 -1.599 -1.703 84 HA ILE 8 HA ILE 8 -10.260 -1.127 -2.750 85 HB ILE 8 HB ILE 8 -7.593 -0.883 -4.146 86 HG12 ILE 8 2HG1 ILE 8 -7.790 0.442 -2.062 87 HG13 ILE 8 3HG1 ILE 8 -7.684 1.460 -3.494 88 HG21 ILE 8 1HG2 ILE 8 -9.045 -0.748 -5.909 89 HG22 ILE 8 2HG2 ILE 8 -10.364 -0.127 -4.918 90 HG23 ILE 8 3HG2 ILE 8 -9.036 0.936 -5.385 91 HD11 ILE 8 3HD1 ILE 8 -9.322 2.340 -1.968 92 HD12 ILE 8 1HD1 ILE 8 -10.122 1.758 -3.428 93 HD13 ILE 8 2HD1 ILE 8 -10.178 0.798 -1.950 94 H GLU 9 H GLU 9 -7.777 -3.473 -3.656 95 HA GLU 9 HA GLU 9 -8.996 -4.432 -5.996 96 HB2 GLU 9 2HB GLU 9 -6.635 -4.878 -5.233 97 HB3 GLU 9 3HB GLU 9 -7.294 -6.044 -4.094 98 HG2 GLU 9 2HG GLU 9 -6.561 -7.270 -5.967 99 HG3 GLU 9 3HG GLU 9 -8.321 -7.228 -6.053 100 H LYS 10 H LYS 10 -9.118 -5.691 -2.668 101 HA LYS 10 HA LYS 10 -10.947 -7.771 -3.238 102 HB2 LYS 10 2HB LYS 10 -9.491 -7.734 -1.241 103 HB3 LYS 10 3HB LYS 10 -10.418 -6.380 -0.605 104 HG2 LYS 10 2HG LYS 10 -11.227 -8.280 0.505 105 HG3 LYS 10 3HG LYS 10 -12.444 -7.895 -0.713 106 HD2 LYS 10 2HD LYS 10 -12.282 -10.064 -1.266 107 HD3 LYS 10 3HD LYS 10 -10.795 -9.582 -2.085 108 HE2 LYS 10 2HE LYS 10 -9.639 -10.922 -0.745 109 HE3 LYS 10 3HE LYS 10 -10.168 -9.974 0.645 110 HZ1 LYS 10 3HZ LYS 10 -10.758 -12.267 0.953 111 HZ2 LYS 10 1HZ LYS 10 -11.573 -12.312 -0.529 112 HZ3 LYS 10 2HZ LYS 10 -12.173 -11.365 0.738 113 H VAL 11 H VAL 11 -11.450 -4.636 -1.610 114 HA VAL 11 HA VAL 11 -14.214 -4.797 -1.348 115 HB VAL 11 HB VAL 11 -12.546 -2.315 -1.782 116 HG11 VAL 11 1HG1 VAL 11 -14.779 -1.679 -2.149 117 HG12 VAL 11 2HG1 VAL 11 -15.375 -2.714 -0.850 118 HG13 VAL 11 3HG1 VAL 11 -14.454 -1.259 -0.468 119 HG21 VAL 11 3HG2 VAL 11 -11.986 -3.891 0.160 120 HG22 VAL 11 1HG2 VAL 11 -12.259 -2.190 0.536 121 HG23 VAL 11 2HG2 VAL 11 -13.525 -3.377 0.849 122 H GLY 12 H GLY 12 -12.251 -3.982 -4.118 123 HA2 GLY 12 2HA GLY 12 -14.356 -2.816 -5.662 124 HA3 GLY 12 3HA GLY 12 -12.799 -3.359 -6.269 125 H ARG 13 H ARG 13 -12.971 -6.062 -5.441 126 HA ARG 13 HA ARG 13 -14.623 -7.078 -7.570 127 HB2 ARG 13 2HB ARG 13 -12.375 -8.005 -6.011 128 HB3 ARG 13 3HB ARG 13 -13.629 -9.236 -6.074 129 HG2 ARG 13 2HG ARG 13 -13.208 -8.070 -8.674 130 HG3 ARG 13 3HG ARG 13 -11.700 -8.692 -8.002 131 HD2 ARG 13 2HD ARG 13 -12.821 -10.843 -7.556 132 HD3 ARG 13 3HD ARG 13 -14.287 -10.212 -8.304 133 HE ARG 13 HE ARG 13 -13.371 -10.659 -10.342 134 HH11 ARG 13 1HH1 ARG 13 -10.812 -10.487 -7.988 135 HH12 ARG 13 2HH1 ARG 13 -9.578 -10.976 -9.102 136 HH21 ARG 13 1HH2 ARG 13 -11.755 -11.303 -11.818 137 HH22 ARG 13 2HH2 ARG 13 -10.115 -11.439 -11.280 138 H ASN 14 H ASN 14 -14.729 -6.952 -4.077 139 HA ASN 14 HA ASN 14 -16.634 -8.904 -3.545 140 HB2 ASN 14 2HB ASN 14 -15.346 -7.653 -1.822 141 HB3 ASN 14 3HB ASN 14 -16.348 -6.240 -2.140 142 HD21 ASN 14 1HD2 ASN 14 -16.812 -6.425 0.159 143 HD22 ASN 14 2HD2 ASN 14 -18.073 -7.487 0.674 144 H VAL 15 H VAL 15 -17.306 -5.405 -3.751 145 HA VAL 15 HA VAL 15 -20.059 -5.545 -3.828 146 HB VAL 15 HB VAL 15 -18.391 -3.541 -5.352 147 HG11 VAL 15 1HG1 VAL 15 -20.376 -2.729 -5.949 148 HG12 VAL 15 2HG1 VAL 15 -21.228 -3.842 -4.878 149 HG13 VAL 15 3HG1 VAL 15 -20.624 -2.306 -4.255 150 HG21 VAL 15 3HG2 VAL 15 -17.552 -3.552 -3.135 151 HG22 VAL 15 1HG2 VAL 15 -18.651 -2.177 -3.245 152 HG23 VAL 15 2HG2 VAL 15 -19.173 -3.661 -2.447 153 H ARG 16 H ARG 16 -17.867 -5.361 -6.636 154 HA ARG 16 HA ARG 16 -19.742 -5.525 -8.653 155 HB2 ARG 16 2HB ARG 16 -16.932 -5.700 -8.445 156 HB3 ARG 16 3HB ARG 16 -17.450 -7.109 -9.361 157 HG2 ARG 16 2HG ARG 16 -18.122 -5.881 -11.137 158 HG3 ARG 16 3HG ARG 16 -18.634 -4.517 -10.140 159 HD2 ARG 16 2HD ARG 16 -16.424 -3.722 -9.920 160 HD3 ARG 16 3HD ARG 16 -15.740 -5.230 -10.526 161 HE ARG 16 HE ARG 16 -17.242 -4.305 -12.598 162 HH11 ARG 16 1HH1 ARG 16 -14.682 -2.971 -10.651 163 HH12 ARG 16 2HH1 ARG 16 -14.071 -1.958 -11.917 164 HH21 ARG 16 1HH2 ARG 16 -16.446 -2.976 -14.272 165 HH22 ARG 16 2HH2 ARG 16 -15.076 -1.961 -13.976 166 H ASP 17 H ASP 17 -17.886 -8.281 -7.349 167 HA ASP 17 HA ASP 17 -19.242 -10.302 -8.670 168 HB2 ASP 17 2HB ASP 17 -17.210 -10.808 -7.507 169 HB3 ASP 17 3HB ASP 17 -17.896 -10.299 -5.966 170 H GLY 18 H GLY 18 -20.023 -8.715 -5.608 171 HA2 GLY 18 2HA GLY 18 -22.159 -10.411 -4.876 172 HA3 GLY 18 3HA GLY 18 -21.910 -8.768 -4.302 173 H ILE 19 H ILE 19 -22.096 -7.372 -6.704 174 HA ILE 19 HA ILE 19 -24.928 -7.231 -6.997 175 HB ILE 19 HB ILE 19 -22.764 -5.869 -8.606 176 HG12 ILE 19 2HG1 ILE 19 -24.447 -4.624 -6.445 177 HG13 ILE 19 3HG1 ILE 19 -22.951 -5.468 -6.057 178 HG21 ILE 19 1HG2 ILE 19 -24.752 -4.213 -8.931 179 HG22 ILE 19 2HG2 ILE 19 -24.623 -5.648 -9.948 180 HG23 ILE 19 3HG2 ILE 19 -25.739 -5.632 -8.583 181 HD11 ILE 19 3HD1 ILE 19 -23.093 -3.205 -8.025 182 HD12 ILE 19 1HD1 ILE 19 -22.776 -2.979 -6.306 183 HD13 ILE 19 2HD1 ILE 19 -21.659 -3.923 -7.292 184 H ILE 20 H ILE 20 -22.303 -8.550 -8.928 185 HA ILE 20 HA ILE 20 -23.894 -9.071 -11.241 186 HB ILE 20 HB ILE 20 -21.254 -10.279 -10.408 187 HG12 ILE 20 2HG1 ILE 20 -21.640 -8.184 -12.523 188 HG13 ILE 20 3HG1 ILE 20 -21.513 -7.718 -10.831 189 HG21 ILE 20 1HG2 ILE 20 -21.243 -10.485 -13.069 190 HG22 ILE 20 2HG2 ILE 20 -21.861 -11.757 -12.016 191 HG23 ILE 20 3HG2 ILE 20 -22.978 -10.631 -12.787 192 HD11 ILE 20 3HD1 ILE 20 -19.361 -9.243 -10.951 193 HD12 ILE 20 1HD1 ILE 20 -19.461 -8.819 -12.659 194 HD13 ILE 20 2HD1 ILE 20 -19.336 -7.550 -11.440 195 H LYS 21 H LYS 21 -22.775 -11.034 -8.509 196 HA LYS 21 HA LYS 21 -23.969 -13.448 -9.438 197 HB2 LYS 21 2HB LYS 21 -22.075 -13.431 -7.867 198 HB3 LYS 21 3HB LYS 21 -23.092 -12.670 -6.650 199 HG2 LYS 21 2HG LYS 21 -23.270 -14.817 -5.959 200 HG3 LYS 21 3HG LYS 21 -24.596 -14.804 -7.123 201 HD2 LYS 21 2HD LYS 21 -22.714 -15.513 -8.806 202 HD3 LYS 21 3HD LYS 21 -21.886 -16.037 -7.338 203 HE2 LYS 21 2HE LYS 21 -24.580 -16.926 -7.202 204 HE3 LYS 21 3HE LYS 21 -23.943 -17.358 -8.788 205 HZ1 LYS 21 3HZ LYS 21 -23.145 -18.302 -6.145 206 HZ2 LYS 21 1HZ LYS 21 -21.917 -18.118 -7.295 207 HZ3 LYS 21 2HZ LYS 21 -23.228 -19.138 -7.613 208 H ALA 22 H ALA 22 -24.773 -11.640 -6.475 209 HA ALA 22 HA ALA 22 -27.507 -12.622 -6.634 210 HB1 ALA 22 1HB ALA 22 -27.037 -12.757 -4.443 211 HB2 ALA 22 2HB ALA 22 -25.772 -11.530 -4.534 212 HB3 ALA 22 3HB ALA 22 -27.465 -11.046 -4.427 213 H GLY 23 H GLY 23 -26.282 -9.410 -5.700 214 HA2 GLY 23 2HA GLY 23 -26.935 -7.687 -7.553 215 HA3 GLY 23 3HA GLY 23 -28.553 -8.219 -7.122 216 HA PRO 24 HA PRO 24 -28.765 -5.373 -3.801 217 HB2 PRO 24 2HB PRO 24 -29.847 -6.810 -1.769 218 HB3 PRO 24 3HB PRO 24 -30.769 -6.317 -3.194 219 HG2 PRO 24 2HG PRO 24 -29.491 -8.955 -2.584 220 HG3 PRO 24 3HG PRO 24 -31.086 -8.619 -3.282 221 HD2 PRO 24 2HD PRO 24 -28.959 -9.345 -4.792 222 HD3 PRO 24 3HD PRO 24 -30.227 -8.256 -5.390 223 H ALA 25 H ALA 25 -26.743 -4.764 -3.165 224 HA ALA 25 HA ALA 25 -25.233 -6.516 -1.369 225 HB1 ALA 25 1HB ALA 25 -24.508 -4.135 -3.032 226 HB2 ALA 25 2HB ALA 25 -23.470 -4.657 -1.705 227 HB3 ALA 25 3HB ALA 25 -23.814 -5.756 -3.040 228 H VAL 26 H VAL 26 -27.064 -3.575 -1.407 229 HA VAL 26 HA VAL 26 -26.099 -2.203 0.783 230 HB VAL 26 HB VAL 26 -28.997 -2.529 -0.008 231 HG11 VAL 26 1HG1 VAL 26 -29.078 -0.176 1.056 232 HG12 VAL 26 2HG1 VAL 26 -29.079 -1.588 2.115 233 HG13 VAL 26 3HG1 VAL 26 -27.594 -0.667 1.872 234 HG21 VAL 26 3HG2 VAL 26 -26.760 -1.095 -1.198 235 HG22 VAL 26 1HG2 VAL 26 -28.350 -1.468 -1.864 236 HG23 VAL 26 2HG2 VAL 26 -28.134 -0.048 -0.840 237 H ALA 27 H ALA 27 -28.775 -4.566 0.833 238 HA ALA 27 HA ALA 27 -29.116 -4.679 3.585 239 HB1 ALA 27 1HB ALA 27 -30.132 -6.907 3.186 240 HB2 ALA 27 2HB ALA 27 -30.732 -5.655 2.098 241 HB3 ALA 27 3HB ALA 27 -29.553 -6.832 1.521 242 H VAL 28 H VAL 28 -27.082 -6.747 1.522 243 HA VAL 28 HA VAL 28 -26.074 -8.420 3.505 244 HB VAL 28 HB VAL 28 -24.624 -7.460 1.034 245 HG11 VAL 28 1HG1 VAL 28 -23.096 -8.512 2.567 246 HG12 VAL 28 2HG1 VAL 28 -24.199 -9.871 2.795 247 HG13 VAL 28 3HG1 VAL 28 -23.419 -9.618 1.233 248 HG21 VAL 28 3HG2 VAL 28 -26.940 -9.139 1.368 249 HG22 VAL 28 1HG2 VAL 28 -26.179 -8.560 -0.114 250 HG23 VAL 28 2HG2 VAL 28 -25.612 -10.047 0.647 251 H VAL 29 H VAL 29 -24.329 -5.668 2.046 252 HA VAL 29 HA VAL 29 -22.231 -5.552 3.835 253 HB VAL 29 HB VAL 29 -23.558 -3.211 2.460 254 HG11 VAL 29 1HG1 VAL 29 -22.171 -2.085 3.849 255 HG12 VAL 29 2HG1 VAL 29 -21.118 -3.478 4.105 256 HG13 VAL 29 3HG1 VAL 29 -20.974 -2.520 2.630 257 HG21 VAL 29 3HG2 VAL 29 -22.022 -5.426 1.455 258 HG22 VAL 29 1HG2 VAL 29 -22.813 -4.120 0.573 259 HG23 VAL 29 2HG2 VAL 29 -21.169 -3.908 1.175 260 H GLY 30 H GLY 30 -25.308 -3.760 4.001 261 HA2 GLY 30 2HA GLY 30 -24.818 -2.372 6.368 262 HA3 GLY 30 3HA GLY 30 -26.412 -2.821 5.780 263 H GLN 31 H GLN 31 -26.763 -5.349 6.063 264 HA GLN 31 HA GLN 31 -27.118 -5.832 8.758 265 HB2 GLN 31 2HB GLN 31 -28.302 -7.073 7.019 266 HB3 GLN 31 3HB GLN 31 -26.804 -7.854 6.533 267 HG2 GLN 31 2HG GLN 31 -26.840 -9.312 8.252 268 HG3 GLN 31 3HG GLN 31 -27.570 -8.154 9.363 269 HE21 GLN 31 1HE2 GLN 31 -28.161 -11.013 8.489 270 HE22 GLN 31 2HE2 GLN 31 -29.856 -10.996 8.155 271 H ALA 32 H ALA 32 -24.607 -7.272 6.672 272 HA ALA 32 HA ALA 32 -23.215 -8.662 8.616 273 HB1 ALA 32 1HB ALA 32 -22.781 -8.914 6.232 274 HB2 ALA 32 2HB ALA 32 -22.084 -7.294 6.177 275 HB3 ALA 32 3HB ALA 32 -21.291 -8.564 7.109 276 H ALA 33 H ALA 33 -22.483 -5.384 7.407 277 HA ALA 33 HA ALA 33 -20.391 -4.794 9.130 278 HB1 ALA 33 1HB ALA 33 -20.907 -3.395 7.231 279 HB2 ALA 33 2HB ALA 33 -22.445 -2.924 7.956 280 HB3 ALA 33 3HB ALA 33 -20.928 -2.423 8.703 281 H THR 34 H THR 34 -23.874 -4.355 9.602 282 HA THR 34 HA THR 34 -23.699 -3.036 12.093 283 HB THR 34 HB THR 34 -25.958 -4.712 10.981 284 HG1 THR 34 HG1 THR 34 -26.046 -3.038 9.677 285 HG21 THR 34 3HG2 THR 34 -27.195 -2.977 12.575 286 HG22 THR 34 1HG2 THR 34 -25.666 -3.080 13.446 287 HG23 THR 34 2HG2 THR 34 -26.618 -4.537 13.160 288 H VAL 35 H VAL 35 -24.039 -6.450 11.219 289 HA VAL 35 HA VAL 35 -24.315 -7.406 13.876 290 HB VAL 35 HB VAL 35 -23.341 -8.876 11.422 291 HG11 VAL 35 1HG1 VAL 35 -22.714 -10.255 13.166 292 HG12 VAL 35 2HG1 VAL 35 -24.069 -9.762 14.182 293 HG13 VAL 35 3HG1 VAL 35 -24.340 -10.836 12.810 294 HG21 VAL 35 3HG2 VAL 35 -25.453 -9.008 10.724 295 HG22 VAL 35 1HG2 VAL 35 -26.021 -9.480 12.325 296 HG23 VAL 35 2HG2 VAL 35 -25.843 -7.773 11.920 297 H VAL 36 H VAL 36 -21.551 -6.909 11.743 298 HA VAL 36 HA VAL 36 -19.655 -8.149 13.484 299 HB VAL 36 HB VAL 36 -19.175 -6.186 11.237 300 HG11 VAL 36 1HG1 VAL 36 -17.333 -8.003 12.774 301 HG12 VAL 36 2HG1 VAL 36 -16.909 -7.295 11.214 302 HG13 VAL 36 3HG1 VAL 36 -17.235 -6.251 12.599 303 HG21 VAL 36 3HG2 VAL 36 -20.169 -8.806 11.134 304 HG22 VAL 36 1HG2 VAL 36 -19.568 -7.829 9.794 305 HG23 VAL 36 2HG2 VAL 36 -18.474 -8.911 10.656 306 H LYS 37 H LYS 37 -20.601 -4.798 12.820 307 HA LYS 37 HA LYS 37 -18.706 -3.630 14.587 308 HB2 LYS 37 2HB LYS 37 -19.743 -2.377 12.744 309 HB3 LYS 37 3HB LYS 37 -21.311 -2.513 13.530 310 HG2 LYS 37 2HG LYS 37 -19.589 -1.402 15.440 311 HG3 LYS 37 3HG LYS 37 -19.241 -0.572 13.922 312 HD2 LYS 37 2HD LYS 37 -21.495 0.117 13.676 313 HD3 LYS 37 3HD LYS 37 -22.040 -0.969 14.957 314 HE2 LYS 37 2HE LYS 37 -20.941 0.345 16.627 315 HE3 LYS 37 3HE LYS 37 -20.145 1.332 15.402 316 HZ1 LYS 37 3HZ LYS 37 -22.438 1.985 16.641 317 HZ2 LYS 37 1HZ LYS 37 -23.024 1.292 15.213 318 HZ3 LYS 37 2HZ LYS 37 -21.953 2.598 15.141 319 HN1 NH2 38 HN1 NH2 38 -22.380 -3.058 15.378 Start of MODEL 10 1 H1 ARG 1 H ARG 1 1.114 -5.871 -5.553 2 HA ARG 1 HA ARG 1 0.739 -6.668 -3.173 3 HB2 ARG 1 2HB ARG 1 3.613 -6.001 -3.820 4 HB3 ARG 1 3HB ARG 1 3.025 -7.302 -2.793 5 HG2 ARG 1 2HG ARG 1 1.792 -7.750 -5.236 6 HG3 ARG 1 3HG ARG 1 3.432 -7.244 -5.650 7 HD2 ARG 1 2HD ARG 1 4.087 -8.932 -3.748 8 HD3 ARG 1 3HD ARG 1 2.504 -9.621 -4.107 9 HE ARG 1 HE ARG 1 3.898 -9.265 -6.512 10 HH11 ARG 1 1HH1 ARG 1 4.012 -11.206 -3.625 11 HH12 ARG 1 2HH1 ARG 1 4.762 -12.558 -4.406 12 HH21 ARG 1 1HH2 ARG 1 4.885 -11.039 -7.553 13 HH22 ARG 1 2HH2 ARG 1 5.258 -12.462 -6.641 14 H TRP 2 H TRP 2 -0.286 -4.499 -2.443 15 HA TRP 2 HA TRP 2 1.371 -3.505 -0.274 16 HB2 TRP 2 2HB TRP 2 0.745 -1.935 -2.655 17 HB3 TRP 2 3HB TRP 2 0.216 -1.151 -1.169 18 HD1 TRP 2 HD1 TRP 2 2.212 -0.775 0.732 19 HE1 TRP 2 HE1 TRP 2 4.697 -0.210 0.370 20 HE3 TRP 2 HE3 TRP 2 2.671 -2.219 -4.151 21 HZ2 TRP 2 HZ2 TRP 2 6.600 -0.355 -1.710 22 HZ3 TRP 2 HZ3 TRP 2 4.857 -1.973 -5.253 23 HH2 TRP 2 HH2 TRP 2 6.779 -1.059 -4.056 24 H LYS 3 H LYS 3 0.088 -2.124 1.239 25 HA LYS 3 HA LYS 3 -2.238 -3.410 2.052 26 HB2 LYS 3 2HB LYS 3 -0.719 -1.858 3.395 27 HB3 LYS 3 3HB LYS 3 -1.618 -0.527 2.679 28 HG2 LYS 3 2HG LYS 3 -3.119 -0.718 4.290 29 HG3 LYS 3 3HG LYS 3 -3.527 -2.328 3.691 30 HD2 LYS 3 2HD LYS 3 -2.889 -2.981 5.752 31 HD3 LYS 3 3HD LYS 3 -1.263 -2.866 5.074 32 HE2 LYS 3 2HE LYS 3 -2.205 -0.300 6.019 33 HE3 LYS 3 3HE LYS 3 -2.256 -1.514 7.296 34 HZ1 LYS 3 3HZ LYS 3 0.166 -1.697 5.833 35 HZ2 LYS 3 1HZ LYS 3 -0.064 -1.429 7.488 36 HZ3 LYS 3 2HZ LYS 3 -0.046 -0.123 6.414 37 H ILE 4 H ILE 4 -2.111 -0.065 0.814 38 HA ILE 4 HA ILE 4 -4.819 0.278 0.404 39 HB ILE 4 HB ILE 4 -2.603 1.440 -1.289 40 HG12 ILE 4 2HG1 ILE 4 -2.248 1.874 1.093 41 HG13 ILE 4 3HG1 ILE 4 -2.716 3.352 0.260 42 HG21 ILE 4 1HG2 ILE 4 -4.665 1.807 -2.395 43 HG22 ILE 4 2HG2 ILE 4 -5.478 2.225 -0.888 44 HG23 ILE 4 3HG2 ILE 4 -4.268 3.313 -1.567 45 HD11 ILE 4 3HD1 ILE 4 -4.535 1.617 1.913 46 HD12 ILE 4 1HD1 ILE 4 -3.815 3.145 2.420 47 HD13 ILE 4 2HD1 ILE 4 -4.985 3.117 1.101 48 H PHE 5 H PHE 5 -2.402 -0.824 -1.970 49 HA PHE 5 HA PHE 5 -4.066 -1.173 -4.149 50 HB2 PHE 5 2HB PHE 5 -1.451 -2.196 -3.303 51 HB3 PHE 5 3HB PHE 5 -2.311 -3.275 -4.396 52 HD1 PHE 5 HD2 PHE 5 -1.731 0.404 -4.108 53 HD2 PHE 5 HD1 PHE 5 -1.750 -3.047 -6.598 54 HE1 PHE 5 HE2 PHE 5 -1.021 1.783 -6.018 55 HE2 PHE 5 HE1 PHE 5 -1.040 -1.674 -8.513 56 HZ PHE 5 HZ PHE 5 -0.676 0.745 -8.224 57 H LYS 6 H LYS 6 -3.032 -3.777 -1.939 58 HA LYS 6 HA LYS 6 -4.748 -5.744 -2.861 59 HB2 LYS 6 2HB LYS 6 -2.864 -6.075 -1.256 60 HB3 LYS 6 3HB LYS 6 -3.865 -5.369 0.006 61 HG2 LYS 6 2HG LYS 6 -5.552 -7.234 -0.684 62 HG3 LYS 6 3HG LYS 6 -4.116 -8.006 -1.359 63 HD2 LYS 6 2HD LYS 6 -3.415 -7.084 1.213 64 HD3 LYS 6 3HD LYS 6 -4.986 -7.876 1.366 65 HE2 LYS 6 2HE LYS 6 -3.466 -9.612 1.676 66 HE3 LYS 6 3HE LYS 6 -3.931 -9.770 -0.017 67 HZ1 LYS 6 3HZ LYS 6 -1.876 -9.265 -0.711 68 HZ2 LYS 6 1HZ LYS 6 -1.401 -9.699 0.854 69 HZ3 LYS 6 2HZ LYS 6 -1.640 -8.071 0.464 70 H LYS 7 H LYS 7 -5.311 -3.266 -0.404 71 HA LYS 7 HA LYS 7 -7.819 -4.160 0.478 72 HB2 LYS 7 2HB LYS 7 -6.516 -2.471 1.679 73 HB3 LYS 7 3HB LYS 7 -6.733 -1.341 0.350 74 HG2 LYS 7 2HG LYS 7 -9.293 -2.263 1.194 75 HG3 LYS 7 3HG LYS 7 -8.378 -1.727 2.606 76 HD2 LYS 7 2HD LYS 7 -7.820 0.353 1.207 77 HD3 LYS 7 3HD LYS 7 -9.135 -0.170 0.152 78 HE2 LYS 7 2HE LYS 7 -10.319 1.171 1.559 79 HE3 LYS 7 3HE LYS 7 -10.418 -0.337 2.468 80 HZ1 LYS 7 3HZ LYS 7 -8.929 2.096 3.062 81 HZ2 LYS 7 1HZ LYS 7 -8.170 0.635 3.452 82 HZ3 LYS 7 2HZ LYS 7 -9.683 1.004 4.111 83 H ILE 8 H ILE 8 -7.241 -1.347 -1.638 84 HA ILE 8 HA ILE 8 -9.835 -0.997 -2.506 85 HB ILE 8 HB ILE 8 -7.325 -0.511 -4.113 86 HG12 ILE 8 2HG1 ILE 8 -8.876 1.332 -2.281 87 HG13 ILE 8 3HG1 ILE 8 -7.317 0.604 -1.913 88 HG21 ILE 8 1HG2 ILE 8 -9.266 -0.467 -5.538 89 HG22 ILE 8 2HG2 ILE 8 -10.115 0.587 -4.410 90 HG23 ILE 8 3HG2 ILE 8 -8.702 1.183 -5.280 91 HD11 ILE 8 3HD1 ILE 8 -7.895 2.589 -4.097 92 HD12 ILE 8 1HD1 ILE 8 -7.025 2.893 -2.594 93 HD13 ILE 8 2HD1 ILE 8 -6.335 1.819 -3.811 94 H GLU 9 H GLU 9 -7.321 -3.085 -3.869 95 HA GLU 9 HA GLU 9 -8.742 -3.926 -6.142 96 HB2 GLU 9 2HB GLU 9 -6.309 -4.261 -5.807 97 HB3 GLU 9 3HB GLU 9 -6.664 -5.464 -4.575 98 HG2 GLU 9 2HG GLU 9 -7.545 -6.970 -6.140 99 HG3 GLU 9 3HG GLU 9 -7.678 -5.728 -7.383 100 H LYS 10 H LYS 10 -8.396 -5.456 -2.948 101 HA LYS 10 HA LYS 10 -10.072 -7.654 -3.476 102 HB2 LYS 10 2HB LYS 10 -8.569 -7.733 -1.607 103 HB3 LYS 10 3HB LYS 10 -9.301 -6.304 -0.888 104 HG2 LYS 10 2HG LYS 10 -11.004 -7.465 0.014 105 HG3 LYS 10 3HG LYS 10 -11.123 -8.567 -1.360 106 HD2 LYS 10 2HD LYS 10 -9.437 -9.954 -0.549 107 HD3 LYS 10 3HD LYS 10 -8.788 -8.703 0.514 108 HE2 LYS 10 2HE LYS 10 -10.878 -8.854 1.858 109 HE3 LYS 10 3HE LYS 10 -11.380 -10.209 0.848 110 HZ1 LYS 10 3HZ LYS 10 -9.321 -10.092 2.912 111 HZ2 LYS 10 1HZ LYS 10 -9.001 -11.070 1.569 112 HZ3 LYS 10 2HZ LYS 10 -10.379 -11.348 2.510 113 H VAL 11 H VAL 11 -10.777 -4.721 -1.566 114 HA VAL 11 HA VAL 11 -13.467 -5.149 -1.131 115 HB VAL 11 HB VAL 11 -12.172 -2.470 -1.653 116 HG11 VAL 11 1HG1 VAL 11 -14.835 -3.312 -0.708 117 HG12 VAL 11 2HG1 VAL 11 -14.070 -2.004 0.196 118 HG13 VAL 11 3HG1 VAL 11 -14.337 -1.839 -1.540 119 HG21 VAL 11 3HG2 VAL 11 -11.781 -4.376 0.456 120 HG22 VAL 11 1HG2 VAL 11 -10.998 -2.817 0.201 121 HG23 VAL 11 2HG2 VAL 11 -12.513 -2.906 1.100 122 H GLY 12 H GLY 12 -11.905 -3.632 -3.929 123 HA2 GLY 12 2HA GLY 12 -14.189 -2.768 -5.277 124 HA3 GLY 12 3HA GLY 12 -12.675 -3.216 -6.050 125 H ARG 13 H ARG 13 -12.597 -5.932 -5.345 126 HA ARG 13 HA ARG 13 -14.429 -6.981 -7.299 127 HB2 ARG 13 2HB ARG 13 -11.967 -7.689 -6.820 128 HB3 ARG 13 3HB ARG 13 -12.679 -8.682 -5.555 129 HG2 ARG 13 2HG ARG 13 -14.241 -9.440 -7.564 130 HG3 ARG 13 3HG ARG 13 -12.821 -8.962 -8.497 131 HD2 ARG 13 2HD ARG 13 -12.172 -10.555 -6.143 132 HD3 ARG 13 3HD ARG 13 -13.214 -11.400 -7.287 133 HE ARG 13 HE ARG 13 -11.252 -10.348 -8.845 134 HH11 ARG 13 1HH1 ARG 13 -11.286 -12.370 -6.011 135 HH12 ARG 13 2HH1 ARG 13 -9.820 -13.197 -6.423 136 HH21 ARG 13 1HH2 ARG 13 -9.321 -11.430 -9.399 137 HH22 ARG 13 2HH2 ARG 13 -8.703 -12.660 -8.350 138 H ASN 14 H ASN 14 -14.093 -7.046 -3.807 139 HA ASN 14 HA ASN 14 -15.841 -9.102 -3.162 140 HB2 ASN 14 2HB ASN 14 -14.420 -7.931 -1.518 141 HB3 ASN 14 3HB ASN 14 -15.439 -6.502 -1.666 142 HD21 ASN 14 1HD2 ASN 14 -15.880 -9.990 -1.157 143 HD22 ASN 14 2HD2 ASN 14 -17.002 -9.827 0.147 144 H VAL 15 H VAL 15 -16.617 -5.623 -3.343 145 HA VAL 15 HA VAL 15 -19.341 -5.777 -2.940 146 HB VAL 15 HB VAL 15 -17.987 -3.873 -4.855 147 HG11 VAL 15 1HG1 VAL 15 -20.686 -4.090 -3.727 148 HG12 VAL 15 2HG1 VAL 15 -19.960 -2.486 -3.600 149 HG13 VAL 15 3HG1 VAL 15 -20.123 -3.260 -5.177 150 HG21 VAL 15 3HG2 VAL 15 -17.890 -4.107 -1.927 151 HG22 VAL 15 1HG2 VAL 15 -16.782 -3.307 -3.041 152 HG23 VAL 15 2HG2 VAL 15 -18.263 -2.494 -2.534 153 H ARG 16 H ARG 16 -17.761 -5.564 -6.136 154 HA ARG 16 HA ARG 16 -19.983 -6.001 -7.708 155 HB2 ARG 16 2HB ARG 16 -17.409 -5.554 -8.258 156 HB3 ARG 16 3HB ARG 16 -17.440 -7.286 -8.561 157 HG2 ARG 16 2HG ARG 16 -19.019 -7.064 -10.288 158 HG3 ARG 16 3HG ARG 16 -19.411 -5.408 -9.822 159 HD2 ARG 16 2HD ARG 16 -17.358 -4.585 -10.628 160 HD3 ARG 16 3HD ARG 16 -16.661 -6.201 -10.732 161 HE ARG 16 HE ARG 16 -18.895 -6.053 -12.427 162 HH11 ARG 16 1HH1 ARG 16 -15.650 -4.821 -12.148 163 HH12 ARG 16 2HH1 ARG 16 -15.429 -4.650 -13.858 164 HH21 ARG 16 1HH2 ARG 16 -18.615 -5.832 -14.680 165 HH22 ARG 16 2HH2 ARG 16 -17.116 -5.224 -15.297 166 H ASP 17 H ASP 17 -17.639 -8.482 -6.665 167 HA ASP 17 HA ASP 17 -18.906 -10.709 -7.686 168 HB2 ASP 17 2HB ASP 17 -16.659 -10.725 -6.649 169 HB3 ASP 17 3HB ASP 17 -17.406 -10.545 -5.064 170 H GLY 18 H GLY 18 -19.487 -9.062 -4.606 171 HA2 GLY 18 2HA GLY 18 -21.375 -10.944 -3.625 172 HA3 GLY 18 3HA GLY 18 -21.159 -9.298 -3.046 173 H ILE 19 H ILE 19 -21.718 -7.913 -5.425 174 HA ILE 19 HA ILE 19 -24.552 -7.852 -5.318 175 HB ILE 19 HB ILE 19 -22.684 -6.551 -7.305 176 HG12 ILE 19 2HG1 ILE 19 -24.071 -5.172 -5.026 177 HG13 ILE 19 3HG1 ILE 19 -22.554 -6.024 -4.754 178 HG21 ILE 19 1HG2 ILE 19 -24.857 -4.962 -7.242 179 HG22 ILE 19 2HG2 ILE 19 -24.619 -6.249 -8.423 180 HG23 ILE 19 3HG2 ILE 19 -25.614 -6.535 -6.995 181 HD11 ILE 19 3HD1 ILE 19 -22.358 -3.567 -5.178 182 HD12 ILE 19 1HD1 ILE 19 -21.390 -4.593 -6.237 183 HD13 ILE 19 2HD1 ILE 19 -22.890 -3.880 -6.830 184 H ILE 20 H ILE 20 -22.233 -9.199 -7.602 185 HA ILE 20 HA ILE 20 -24.223 -9.923 -9.539 186 HB ILE 20 HB ILE 20 -21.361 -10.845 -9.259 187 HG12 ILE 20 2HG1 ILE 20 -21.630 -8.413 -9.644 188 HG13 ILE 20 3HG1 ILE 20 -20.873 -9.225 -11.010 189 HG21 ILE 20 1HG2 ILE 20 -22.191 -12.470 -10.623 190 HG22 ILE 20 2HG2 ILE 20 -23.499 -11.452 -11.225 191 HG23 ILE 20 3HG2 ILE 20 -21.858 -11.230 -11.832 192 HD11 ILE 20 3HD1 ILE 20 -23.193 -7.598 -10.967 193 HD12 ILE 20 1HD1 ILE 20 -22.403 -8.364 -12.345 194 HD13 ILE 20 2HD1 ILE 20 -23.662 -9.225 -11.459 195 H LYS 21 H LYS 21 -22.301 -11.693 -7.131 196 HA LYS 21 HA LYS 21 -23.161 -14.265 -7.639 197 HB2 LYS 21 2HB LYS 21 -21.394 -13.778 -6.041 198 HB3 LYS 21 3HB LYS 21 -22.542 -12.982 -4.972 199 HG2 LYS 21 2HG LYS 21 -22.851 -14.913 -3.942 200 HG3 LYS 21 3HG LYS 21 -23.560 -15.556 -5.425 201 HD2 LYS 21 2HD LYS 21 -21.557 -16.527 -6.106 202 HD3 LYS 21 3HD LYS 21 -20.586 -15.492 -5.056 203 HE2 LYS 21 2HE LYS 21 -21.263 -16.681 -3.117 204 HE3 LYS 21 3HE LYS 21 -22.523 -17.540 -4.001 205 HZ1 LYS 21 3HZ LYS 21 -19.594 -17.861 -4.373 206 HZ2 LYS 21 1HZ LYS 21 -20.779 -18.645 -5.290 207 HZ3 LYS 21 2HZ LYS 21 -20.637 -18.971 -3.637 208 H ALA 22 H ALA 22 -24.453 -12.350 -4.925 209 HA ALA 22 HA ALA 22 -26.995 -13.781 -5.215 210 HB1 ALA 22 1HB ALA 22 -27.481 -12.873 -2.946 211 HB2 ALA 22 2HB ALA 22 -26.064 -13.923 -3.015 212 HB3 ALA 22 3HB ALA 22 -25.862 -12.172 -2.933 213 H GLY 23 H GLY 23 -26.121 -10.484 -4.160 214 HA2 GLY 23 2HA GLY 23 -27.373 -9.086 -6.217 215 HA3 GLY 23 3HA GLY 23 -28.592 -9.371 -4.984 216 HA PRO 24 HA PRO 24 -26.154 -5.474 -4.040 217 HB2 PRO 24 2HB PRO 24 -28.286 -3.792 -4.049 218 HB3 PRO 24 3HB PRO 24 -27.349 -4.164 -5.501 219 HG2 PRO 24 2HG PRO 24 -29.963 -5.303 -4.591 220 HG3 PRO 24 3HG PRO 24 -29.471 -4.792 -6.216 221 HD2 PRO 24 2HD PRO 24 -29.493 -7.389 -5.449 222 HD3 PRO 24 3HD PRO 24 -28.321 -6.748 -6.619 223 H ALA 25 H ALA 25 -29.238 -6.748 -2.894 224 HA ALA 25 HA ALA 25 -29.536 -5.378 -0.517 225 HB1 ALA 25 1HB ALA 25 -31.226 -6.793 -0.176 226 HB2 ALA 25 2HB ALA 25 -30.792 -7.504 -1.731 227 HB3 ALA 25 3HB ALA 25 -30.169 -8.204 -0.237 228 H VAL 26 H VAL 26 -27.342 -7.991 -1.299 229 HA VAL 26 HA VAL 26 -26.597 -8.861 1.221 230 HB VAL 26 HB VAL 26 -24.760 -8.504 -1.152 231 HG11 VAL 26 1HG1 VAL 26 -24.555 -10.065 1.399 232 HG12 VAL 26 2HG1 VAL 26 -23.672 -10.556 -0.048 233 HG13 VAL 26 3HG1 VAL 26 -23.381 -8.971 0.670 234 HG21 VAL 26 3HG2 VAL 26 -27.058 -10.129 -0.864 235 HG22 VAL 26 1HG2 VAL 26 -25.880 -10.124 -2.177 236 HG23 VAL 26 2HG2 VAL 26 -25.649 -11.188 -0.789 237 H ALA 27 H ALA 27 -24.807 -6.451 -0.713 238 HA ALA 27 HA ALA 27 -23.081 -5.602 1.283 239 HB1 ALA 27 1HB ALA 27 -22.309 -4.510 -0.487 240 HB2 ALA 27 2HB ALA 27 -23.835 -4.724 -1.345 241 HB3 ALA 27 3HB ALA 27 -23.611 -3.338 -0.277 242 H VAL 28 H VAL 28 -26.276 -4.319 0.413 243 HA VAL 28 HA VAL 28 -26.350 -2.168 2.184 244 HB VAL 28 HB VAL 28 -28.682 -3.884 1.320 245 HG11 VAL 28 1HG1 VAL 28 -28.461 -1.490 2.957 246 HG12 VAL 28 2HG1 VAL 28 -29.547 -1.282 1.581 247 HG13 VAL 28 3HG1 VAL 28 -29.823 -2.587 2.734 248 HG21 VAL 28 3HG2 VAL 28 -27.057 -1.862 -0.074 249 HG22 VAL 28 1HG2 VAL 28 -28.025 -3.187 -0.721 250 HG23 VAL 28 2HG2 VAL 28 -28.804 -1.681 -0.234 251 H VAL 29 H VAL 29 -28.026 -5.282 2.667 252 HA VAL 29 HA VAL 29 -28.670 -4.938 5.335 253 HB VAL 29 HB VAL 29 -27.991 -7.537 3.952 254 HG11 VAL 29 1HG1 VAL 29 -29.949 -7.949 5.900 255 HG12 VAL 29 2HG1 VAL 29 -28.266 -8.480 5.947 256 HG13 VAL 29 3HG1 VAL 29 -28.726 -6.939 6.671 257 HG21 VAL 29 3HG2 VAL 29 -29.791 -6.081 2.924 258 HG22 VAL 29 1HG2 VAL 29 -30.275 -7.716 3.374 259 HG23 VAL 29 2HG2 VAL 29 -30.719 -6.350 4.398 260 H GLY 30 H GLY 30 -25.798 -6.559 3.981 261 HA2 GLY 30 2HA GLY 30 -24.581 -7.282 6.376 262 HA3 GLY 30 3HA GLY 30 -23.722 -6.945 4.881 263 H GLN 31 H GLN 31 -23.820 -4.391 4.426 264 HA GLN 31 HA GLN 31 -22.057 -3.209 6.199 265 HB2 GLN 31 2HB GLN 31 -22.451 -2.444 3.879 266 HB3 GLN 31 3HB GLN 31 -24.007 -1.791 4.375 267 HG2 GLN 31 2HG GLN 31 -22.998 -0.137 5.716 268 HG3 GLN 31 3HG GLN 31 -21.420 -0.916 5.619 269 HE21 GLN 31 1HE2 GLN 31 -22.091 1.804 4.975 270 HE22 GLN 31 2HE2 GLN 31 -21.697 2.038 3.310 271 H ALA 32 H ALA 32 -25.521 -2.425 5.848 272 HA ALA 32 HA ALA 32 -25.760 -0.675 7.970 273 HB1 ALA 32 1HB ALA 32 -27.487 -1.342 6.193 274 HB2 ALA 32 2HB ALA 32 -27.936 -2.630 7.312 275 HB3 ALA 32 3HB ALA 32 -28.071 -0.943 7.809 276 H ALA 33 H ALA 33 -26.443 -4.177 8.035 277 HA ALA 33 HA ALA 33 -27.002 -4.420 10.738 278 HB1 ALA 33 1HB ALA 33 -26.381 -6.791 10.491 279 HB2 ALA 33 2HB ALA 33 -27.412 -6.222 9.178 280 HB3 ALA 33 3HB ALA 33 -25.680 -6.425 8.915 281 H THR 34 H THR 34 -23.869 -4.603 9.086 282 HA THR 34 HA THR 34 -22.335 -5.245 11.363 283 HB THR 34 HB THR 34 -21.484 -3.808 8.841 284 HG1 THR 34 HG1 THR 34 -21.809 -6.503 9.557 285 HG21 THR 34 3HG2 THR 34 -19.489 -3.555 9.798 286 HG22 THR 34 1HG2 THR 34 -19.374 -5.306 9.973 287 HG23 THR 34 2HG2 THR 34 -20.065 -4.333 11.271 288 H VAL 35 H VAL 35 -23.207 -2.150 9.882 289 HA VAL 35 HA VAL 35 -21.632 -0.542 11.609 290 HB VAL 35 HB VAL 35 -24.106 0.214 10.046 291 HG11 VAL 35 1HG1 VAL 35 -23.637 1.826 11.794 292 HG12 VAL 35 2HG1 VAL 35 -21.952 1.927 11.282 293 HG13 VAL 35 3HG1 VAL 35 -23.234 2.510 10.220 294 HG21 VAL 35 3HG2 VAL 35 -21.700 1.220 8.915 295 HG22 VAL 35 1HG2 VAL 35 -21.507 -0.513 9.175 296 HG23 VAL 35 2HG2 VAL 35 -22.857 0.089 8.214 297 H VAL 36 H VAL 36 -24.969 -1.682 11.719 298 HA VAL 36 HA VAL 36 -25.698 -0.134 14.006 299 HB VAL 36 HB VAL 36 -27.004 -2.623 12.898 300 HG11 VAL 36 1HG1 VAL 36 -27.996 -0.535 14.834 301 HG12 VAL 36 2HG1 VAL 36 -29.012 -1.768 14.083 302 HG13 VAL 36 3HG1 VAL 36 -27.703 -2.241 15.167 303 HG21 VAL 36 3HG2 VAL 36 -28.397 -0.148 12.412 304 HG22 VAL 36 1HG2 VAL 36 -26.767 -0.093 11.741 305 HG23 VAL 36 2HG2 VAL 36 -27.873 -1.383 11.267 306 H LYS 37 H LYS 37 -25.129 -3.631 13.580 307 HA LYS 37 HA LYS 37 -24.976 -4.037 16.432 308 HB2 LYS 37 2HB LYS 37 -25.963 -5.734 14.929 309 HB3 LYS 37 3HB LYS 37 -24.394 -5.953 14.166 310 HG2 LYS 37 2HG LYS 37 -23.496 -6.642 16.393 311 HG3 LYS 37 3HG LYS 37 -25.152 -6.603 17.004 312 HD2 LYS 37 2HD LYS 37 -25.780 -8.456 15.815 313 HD3 LYS 37 3HD LYS 37 -24.606 -8.161 14.530 314 HE2 LYS 37 2HE LYS 37 -22.907 -8.640 16.521 315 HE3 LYS 37 3HE LYS 37 -24.283 -9.562 17.126 316 HZ1 LYS 37 3HZ LYS 37 -24.224 -10.393 14.610 317 HZ2 LYS 37 1HZ LYS 37 -23.366 -11.158 15.852 318 HZ3 LYS 37 2HZ LYS 37 -22.578 -10.069 14.827 319 HN1 NH2 38 HN1 NH2 38 -22.277 -5.556 14.254 Start of MODEL 11 1 H1 ARG 1 H ARG 1 1.192 -4.706 -5.780 2 HA ARG 1 HA ARG 1 0.680 -7.001 -4.380 3 HB2 ARG 1 2HB ARG 1 3.031 -7.781 -3.836 4 HB3 ARG 1 3HB ARG 1 2.432 -8.194 -5.437 5 HG2 ARG 1 2HG ARG 1 3.853 -6.729 -6.498 6 HG3 ARG 1 3HG ARG 1 4.035 -5.708 -5.070 7 HD2 ARG 1 2HD ARG 1 5.202 -7.737 -4.017 8 HD3 ARG 1 3HD ARG 1 5.307 -8.361 -5.663 9 HE ARG 1 HE ARG 1 6.299 -5.738 -5.621 10 HH11 ARG 1 1HH1 ARG 1 7.106 -8.920 -4.464 11 HH12 ARG 1 2HH1 ARG 1 8.815 -8.637 -4.485 12 HH21 ARG 1 1HH2 ARG 1 8.547 -5.352 -5.653 13 HH22 ARG 1 2HH2 ARG 1 9.634 -6.606 -5.160 14 H TRP 2 H TRP 2 0.065 -4.610 -3.675 15 HA TRP 2 HA TRP 2 1.876 -3.967 -1.451 16 HB2 TRP 2 2HB TRP 2 1.785 -2.347 -3.579 17 HB3 TRP 2 3HB TRP 2 0.384 -1.723 -2.712 18 HD1 TRP 2 HD1 TRP 2 3.849 -2.813 -1.332 19 HE1 TRP 2 HE1 TRP 2 4.800 -0.854 0.041 20 HE3 TRP 2 HE3 TRP 2 0.138 0.613 -2.127 21 HZ2 TRP 2 HZ2 TRP 2 4.072 1.792 0.701 22 HZ3 TRP 2 HZ3 TRP 2 0.342 2.834 -1.089 23 HH2 TRP 2 HH2 TRP 2 2.268 3.409 0.296 24 H LYS 3 H LYS 3 0.815 -2.803 0.320 25 HA LYS 3 HA LYS 3 -1.472 -4.047 1.237 26 HB2 LYS 3 2HB LYS 3 -0.334 -1.341 1.951 27 HB3 LYS 3 3HB LYS 3 -1.643 -2.108 2.840 28 HG2 LYS 3 2HG LYS 3 -0.261 -3.821 3.628 29 HG3 LYS 3 3HG LYS 3 0.990 -3.480 2.431 30 HD2 LYS 3 2HD LYS 3 1.665 -1.516 3.542 31 HD3 LYS 3 3HD LYS 3 0.203 -1.478 4.530 32 HE2 LYS 3 2HE LYS 3 0.928 -3.465 5.720 33 HE3 LYS 3 3HE LYS 3 2.353 -3.589 4.689 34 HZ1 LYS 3 3HZ LYS 3 2.072 -2.150 7.060 35 HZ2 LYS 3 1HZ LYS 3 2.266 -1.019 5.816 36 HZ3 LYS 3 2HZ LYS 3 3.424 -2.230 6.046 37 H ILE 4 H ILE 4 -1.324 -0.660 0.115 38 HA ILE 4 HA ILE 4 -4.051 -0.180 0.052 39 HB ILE 4 HB ILE 4 -1.997 0.965 -1.845 40 HG12 ILE 4 2HG1 ILE 4 -1.311 1.275 0.474 41 HG13 ILE 4 3HG1 ILE 4 -1.841 2.810 -0.205 42 HG21 ILE 4 1HG2 ILE 4 -3.938 1.715 -2.765 43 HG22 ILE 4 2HG2 ILE 4 -4.833 1.595 -1.250 44 HG23 ILE 4 3HG2 ILE 4 -3.733 2.947 -1.520 45 HD11 ILE 4 3HD1 ILE 4 -3.006 2.981 1.690 46 HD12 ILE 4 1HD1 ILE 4 -4.143 1.893 0.893 47 HD13 ILE 4 2HD1 ILE 4 -2.938 1.247 2.008 48 H PHE 5 H PHE 5 -1.967 -1.270 -2.624 49 HA PHE 5 HA PHE 5 -3.876 -1.453 -4.612 50 HB2 PHE 5 2HB PHE 5 -1.282 -1.909 -4.618 51 HB3 PHE 5 3HB PHE 5 -1.785 -3.582 -4.402 52 HD1 PHE 5 HD2 PHE 5 -2.127 -0.639 -6.619 53 HD2 PHE 5 HD1 PHE 5 -2.553 -4.854 -6.211 54 HE1 PHE 5 HE2 PHE 5 -2.503 -0.832 -9.043 55 HE2 PHE 5 HE1 PHE 5 -2.929 -5.055 -8.634 56 HZ PHE 5 HZ PHE 5 -2.905 -3.042 -10.054 57 H LYS 6 H LYS 6 -2.702 -4.232 -2.709 58 HA LYS 6 HA LYS 6 -4.620 -6.059 -3.489 59 HB2 LYS 6 2HB LYS 6 -2.638 -6.691 -2.216 60 HB3 LYS 6 3HB LYS 6 -3.241 -5.826 -0.808 61 HG2 LYS 6 2HG LYS 6 -5.179 -7.378 -0.755 62 HG3 LYS 6 3HG LYS 6 -4.426 -8.292 -2.064 63 HD2 LYS 6 2HD LYS 6 -3.465 -9.476 -0.419 64 HD3 LYS 6 3HD LYS 6 -2.381 -8.092 -0.264 65 HE2 LYS 6 2HE LYS 6 -3.346 -7.382 1.662 66 HE3 LYS 6 3HE LYS 6 -4.954 -7.923 1.182 67 HZ1 LYS 6 3HZ LYS 6 -2.829 -9.392 2.548 68 HZ2 LYS 6 1HZ LYS 6 -3.812 -10.262 1.481 69 HZ3 LYS 6 2HZ LYS 6 -4.503 -9.440 2.787 70 H LYS 7 H LYS 7 -4.731 -3.771 -0.783 71 HA LYS 7 HA LYS 7 -7.152 -4.583 0.340 72 HB2 LYS 7 2HB LYS 7 -5.558 -2.977 1.372 73 HB3 LYS 7 3HB LYS 7 -6.066 -1.765 0.203 74 HG2 LYS 7 2HG LYS 7 -7.942 -1.292 1.324 75 HG3 LYS 7 3HG LYS 7 -8.267 -2.987 1.693 76 HD2 LYS 7 2HD LYS 7 -6.855 -2.957 3.575 77 HD3 LYS 7 3HD LYS 7 -6.091 -1.444 3.079 78 HE2 LYS 7 2HE LYS 7 -7.847 -0.162 3.807 79 HE3 LYS 7 3HE LYS 7 -9.024 -1.456 3.586 80 HZ1 LYS 7 3HZ LYS 7 -6.940 -1.650 5.666 81 HZ2 LYS 7 1HZ LYS 7 -8.431 -2.445 5.580 82 HZ3 LYS 7 2HZ LYS 7 -8.371 -0.797 5.955 83 H ILE 8 H ILE 8 -6.725 -1.684 -1.694 84 HA ILE 8 HA ILE 8 -9.391 -1.188 -2.197 85 HB ILE 8 HB ILE 8 -7.087 -0.715 -4.092 86 HG12 ILE 8 2HG1 ILE 8 -6.770 0.285 -1.851 87 HG13 ILE 8 3HG1 ILE 8 -6.973 1.508 -3.101 88 HG21 ILE 8 1HG2 ILE 8 -9.945 0.045 -4.141 89 HG22 ILE 8 2HG2 ILE 8 -8.780 1.278 -4.620 90 HG23 ILE 8 3HG2 ILE 8 -8.830 -0.266 -5.471 91 HD11 ILE 8 3HD1 ILE 8 -8.414 1.194 -0.699 92 HD12 ILE 8 1HD1 ILE 8 -8.637 2.404 -1.963 93 HD13 ILE 8 2HD1 ILE 8 -9.528 0.883 -2.030 94 H GLU 9 H GLU 9 -7.183 -3.331 -3.938 95 HA GLU 9 HA GLU 9 -8.894 -3.981 -6.068 96 HB2 GLU 9 2HB GLU 9 -6.540 -5.337 -4.798 97 HB3 GLU 9 3HB GLU 9 -7.466 -6.167 -6.041 98 HG2 GLU 9 2HG GLU 9 -6.365 -3.417 -6.484 99 HG3 GLU 9 3HG GLU 9 -5.390 -4.862 -6.752 100 H LYS 10 H LYS 10 -8.085 -6.078 -3.298 101 HA LYS 10 HA LYS 10 -10.072 -7.960 -3.668 102 HB2 LYS 10 2HB LYS 10 -8.424 -7.066 -1.377 103 HB3 LYS 10 3HB LYS 10 -9.875 -7.973 -0.971 104 HG2 LYS 10 2HG LYS 10 -9.097 -9.904 -1.891 105 HG3 LYS 10 3HG LYS 10 -8.105 -9.066 -3.086 106 HD2 LYS 10 2HD LYS 10 -6.310 -9.129 -1.761 107 HD3 LYS 10 3HD LYS 10 -7.224 -8.514 -0.381 108 HE2 LYS 10 2HE LYS 10 -6.284 -10.727 0.075 109 HE3 LYS 10 3HE LYS 10 -8.047 -10.757 0.090 110 HZ1 LYS 10 3HZ LYS 10 -8.128 -12.074 -1.716 111 HZ2 LYS 10 1HZ LYS 10 -6.562 -12.509 -1.243 112 HZ3 LYS 10 2HZ LYS 10 -6.789 -11.355 -2.458 113 H VAL 11 H VAL 11 -10.200 -5.091 -1.556 114 HA VAL 11 HA VAL 11 -12.827 -5.418 -0.668 115 HB VAL 11 HB VAL 11 -11.321 -2.833 -1.095 116 HG11 VAL 11 1HG1 VAL 11 -12.991 -2.403 1.002 117 HG12 VAL 11 2HG1 VAL 11 -13.336 -1.935 -0.665 118 HG13 VAL 11 3HG1 VAL 11 -13.983 -3.444 -0.019 119 HG21 VAL 11 3HG2 VAL 11 -10.782 -4.951 0.646 120 HG22 VAL 11 1HG2 VAL 11 -10.119 -3.318 0.712 121 HG23 VAL 11 2HG2 VAL 11 -11.567 -3.720 1.635 122 H GLY 12 H GLY 12 -11.563 -4.079 -3.644 123 HA2 GLY 12 2HA GLY 12 -14.036 -2.868 -4.459 124 HA3 GLY 12 3HA GLY 12 -12.614 -3.113 -5.462 125 H ARG 13 H ARG 13 -12.454 -5.961 -5.028 126 HA ARG 13 HA ARG 13 -14.367 -6.776 -7.021 127 HB2 ARG 13 2HB ARG 13 -12.066 -8.103 -5.626 128 HB3 ARG 13 3HB ARG 13 -13.205 -9.062 -6.562 129 HG2 ARG 13 2HG ARG 13 -12.164 -6.692 -7.942 130 HG3 ARG 13 3HG ARG 13 -10.964 -7.929 -7.561 131 HD2 ARG 13 2HD ARG 13 -13.569 -8.445 -8.988 132 HD3 ARG 13 3HD ARG 13 -12.017 -8.212 -9.791 133 HE ARG 13 HE ARG 13 -11.782 -10.265 -7.883 134 HH11 ARG 13 1HH1 ARG 13 -13.256 -9.605 -10.967 135 HH12 ARG 13 2HH1 ARG 13 -13.223 -11.259 -11.483 136 HH21 ARG 13 1HH2 ARG 13 -11.733 -12.445 -8.551 137 HH22 ARG 13 2HH2 ARG 13 -12.357 -12.874 -10.108 138 H ASN 14 H ASN 14 -13.892 -7.228 -3.577 139 HA ASN 14 HA ASN 14 -15.604 -9.357 -3.093 140 HB2 ASN 14 2HB ASN 14 -14.154 -8.424 -1.364 141 HB3 ASN 14 3HB ASN 14 -15.085 -6.929 -1.362 142 HD21 ASN 14 1HD2 ASN 14 -15.434 -10.417 -0.886 143 HD22 ASN 14 2HD2 ASN 14 -16.635 -10.303 0.352 144 H VAL 15 H VAL 15 -16.401 -5.885 -2.867 145 HA VAL 15 HA VAL 15 -19.106 -6.104 -2.377 146 HB VAL 15 HB VAL 15 -17.837 -3.994 -4.127 147 HG11 VAL 15 1HG1 VAL 15 -19.756 -2.750 -2.678 148 HG12 VAL 15 2HG1 VAL 15 -20.000 -3.396 -4.303 149 HG13 VAL 15 3HG1 VAL 15 -20.484 -4.342 -2.894 150 HG21 VAL 15 3HG2 VAL 15 -17.575 -4.564 -1.270 151 HG22 VAL 15 1HG2 VAL 15 -16.579 -3.560 -2.324 152 HG23 VAL 15 2HG2 VAL 15 -18.062 -2.907 -1.627 153 H ARG 16 H ARG 16 -17.655 -5.535 -5.591 154 HA ARG 16 HA ARG 16 -19.937 -5.820 -7.112 155 HB2 ARG 16 2HB ARG 16 -17.872 -5.035 -8.088 156 HB3 ARG 16 3HB ARG 16 -17.093 -6.582 -7.785 157 HG2 ARG 16 2HG ARG 16 -18.188 -7.629 -9.514 158 HG3 ARG 16 3HG ARG 16 -19.529 -6.483 -9.498 159 HD2 ARG 16 2HD ARG 16 -18.384 -5.876 -11.414 160 HD3 ARG 16 3HD ARG 16 -17.734 -4.757 -10.216 161 HE ARG 16 HE ARG 16 -16.013 -6.850 -10.130 162 HH11 ARG 16 1HH1 ARG 16 -17.239 -4.839 -12.694 163 HH12 ARG 16 2HH1 ARG 16 -15.810 -4.978 -13.663 164 HH21 ARG 16 1HH2 ARG 16 -14.126 -7.040 -11.396 165 HH22 ARG 16 2HH2 ARG 16 -14.040 -6.231 -12.924 166 H ASP 17 H ASP 17 -17.542 -8.377 -6.434 167 HA ASP 17 HA ASP 17 -18.838 -10.493 -7.640 168 HB2 ASP 17 2HB ASP 17 -16.527 -10.458 -6.561 169 HB3 ASP 17 3HB ASP 17 -17.347 -10.758 -5.031 170 H GLY 18 H GLY 18 -19.305 -9.191 -4.381 171 HA2 GLY 18 2HA GLY 18 -21.144 -11.185 -3.536 172 HA3 GLY 18 3HA GLY 18 -20.913 -9.610 -2.792 173 H ILE 19 H ILE 19 -21.571 -7.981 -4.983 174 HA ILE 19 HA ILE 19 -24.398 -7.956 -4.761 175 HB ILE 19 HB ILE 19 -22.617 -6.433 -6.666 176 HG12 ILE 19 2HG1 ILE 19 -23.918 -5.320 -4.200 177 HG13 ILE 19 3HG1 ILE 19 -22.388 -6.182 -4.081 178 HG21 ILE 19 1HG2 ILE 19 -25.527 -6.129 -5.967 179 HG22 ILE 19 2HG2 ILE 19 -24.580 -4.856 -6.734 180 HG23 ILE 19 3HG2 ILE 19 -24.813 -6.398 -7.557 181 HD11 ILE 19 3HD1 ILE 19 -22.190 -3.707 -4.236 182 HD12 ILE 19 1HD1 ILE 19 -21.302 -4.592 -5.476 183 HD13 ILE 19 2HD1 ILE 19 -22.834 -3.813 -5.874 184 H ILE 20 H ILE 20 -22.165 -9.031 -7.264 185 HA ILE 20 HA ILE 20 -24.228 -9.559 -9.189 186 HB ILE 20 HB ILE 20 -21.352 -10.479 -9.123 187 HG12 ILE 20 2HG1 ILE 20 -21.649 -8.022 -9.232 188 HG13 ILE 20 3HG1 ILE 20 -20.943 -8.675 -10.706 189 HG21 ILE 20 1HG2 ILE 20 -22.470 -11.972 -10.545 190 HG22 ILE 20 2HG2 ILE 20 -23.494 -10.702 -11.214 191 HG23 ILE 20 3HG2 ILE 20 -21.779 -10.758 -11.621 192 HD11 ILE 20 3HD1 ILE 20 -23.796 -8.604 -10.937 193 HD12 ILE 20 1HD1 ILE 20 -23.181 -7.021 -10.463 194 HD13 ILE 20 2HD1 ILE 20 -22.570 -7.805 -11.920 195 H LYS 21 H LYS 21 -22.211 -11.555 -7.052 196 HA LYS 21 HA LYS 21 -23.068 -14.068 -7.803 197 HB2 LYS 21 2HB LYS 21 -21.251 -13.717 -6.215 198 HB3 LYS 21 3HB LYS 21 -22.382 -13.078 -5.029 199 HG2 LYS 21 2HG LYS 21 -23.505 -15.280 -4.975 200 HG3 LYS 21 3HG LYS 21 -22.270 -15.900 -6.073 201 HD2 LYS 21 2HD LYS 21 -20.554 -15.210 -4.376 202 HD3 LYS 21 3HD LYS 21 -21.884 -14.858 -3.271 203 HE2 LYS 21 2HE LYS 21 -22.604 -17.153 -3.328 204 HE3 LYS 21 3HE LYS 21 -21.419 -17.536 -4.575 205 HZ1 LYS 21 3HZ LYS 21 -19.682 -17.411 -3.084 206 HZ2 LYS 21 1HZ LYS 21 -20.898 -18.105 -2.135 207 HZ3 LYS 21 2HZ LYS 21 -20.539 -16.460 -1.978 208 H ALA 22 H ALA 22 -24.282 -12.470 -4.860 209 HA ALA 22 HA ALA 22 -26.775 -13.960 -5.118 210 HB1 ALA 22 1HB ALA 22 -26.644 -14.041 -2.907 211 HB2 ALA 22 2HB ALA 22 -25.219 -13.002 -2.936 212 HB3 ALA 22 3HB ALA 22 -26.829 -12.289 -2.838 213 H GLY 23 H GLY 23 -26.075 -10.607 -4.111 214 HA2 GLY 23 2HA GLY 23 -27.447 -9.299 -6.148 215 HA3 GLY 23 3HA GLY 23 -28.627 -9.655 -4.895 216 HA PRO 24 HA PRO 24 -26.272 -5.652 -4.020 217 HB2 PRO 24 2HB PRO 24 -28.374 -3.959 -4.310 218 HB3 PRO 24 3HB PRO 24 -27.309 -4.405 -5.648 219 HG2 PRO 24 2HG PRO 24 -30.010 -5.483 -4.937 220 HG3 PRO 24 3HG PRO 24 -29.360 -5.053 -6.530 221 HD2 PRO 24 2HD PRO 24 -29.483 -7.610 -5.649 222 HD3 PRO 24 3HD PRO 24 -28.199 -7.034 -6.731 223 H ALA 25 H ALA 25 -29.448 -6.876 -3.106 224 HA ALA 25 HA ALA 25 -29.952 -5.382 -0.832 225 HB1 ALA 25 1HB ALA 25 -30.649 -8.198 -0.522 226 HB2 ALA 25 2HB ALA 25 -31.683 -6.770 -0.565 227 HB3 ALA 25 3HB ALA 25 -31.146 -7.515 -2.070 228 H VAL 26 H VAL 26 -27.712 -8.020 -1.307 229 HA VAL 26 HA VAL 26 -27.225 -8.835 1.290 230 HB VAL 26 HB VAL 26 -25.184 -8.514 -0.915 231 HG11 VAL 26 1HG1 VAL 26 -24.255 -10.577 0.449 232 HG12 VAL 26 2HG1 VAL 26 -23.844 -8.919 0.892 233 HG13 VAL 26 3HG1 VAL 26 -25.106 -9.782 1.773 234 HG21 VAL 26 3HG2 VAL 26 -27.151 -10.676 -0.247 235 HG22 VAL 26 1HG2 VAL 26 -26.829 -9.907 -1.801 236 HG23 VAL 26 2HG2 VAL 26 -25.660 -11.037 -1.118 237 H ALA 27 H ALA 27 -25.593 -6.220 -0.498 238 HA ALA 27 HA ALA 27 -24.003 -5.381 1.695 239 HB1 ALA 27 1HB ALA 27 -24.702 -3.419 -0.410 240 HB2 ALA 27 2HB ALA 27 -23.132 -3.839 0.276 241 HB3 ALA 27 3HB ALA 27 -23.881 -4.894 -0.923 242 H VAL 28 H VAL 28 -27.035 -4.142 0.313 243 HA VAL 28 HA VAL 28 -27.388 -1.932 1.954 244 HB VAL 28 HB VAL 28 -29.540 -3.750 0.862 245 HG11 VAL 28 1HG1 VAL 28 -29.595 -1.157 2.288 246 HG12 VAL 28 2HG1 VAL 28 -30.686 -1.339 0.912 247 HG13 VAL 28 3HG1 VAL 28 -30.776 -2.466 2.267 248 HG21 VAL 28 3HG2 VAL 28 -28.525 -3.070 -1.063 249 HG22 VAL 28 1HG2 VAL 28 -29.580 -1.681 -0.798 250 HG23 VAL 28 2HG2 VAL 28 -27.880 -1.598 -0.335 251 H VAL 29 H VAL 29 -28.279 -5.311 2.511 252 HA VAL 29 HA VAL 29 -29.514 -4.763 5.049 253 HB VAL 29 HB VAL 29 -28.655 -7.403 3.855 254 HG11 VAL 29 1HG1 VAL 29 -29.779 -6.672 6.436 255 HG12 VAL 29 2HG1 VAL 29 -30.758 -7.862 5.576 256 HG13 VAL 29 3HG1 VAL 29 -29.056 -8.190 5.905 257 HG21 VAL 29 3HG2 VAL 29 -30.504 -7.390 2.611 258 HG22 VAL 29 1HG2 VAL 29 -31.499 -6.887 3.977 259 HG23 VAL 29 2HG2 VAL 29 -30.659 -5.678 3.005 260 H GLY 30 H GLY 30 -26.501 -6.369 4.022 261 HA2 GLY 30 2HA GLY 30 -25.486 -6.966 6.542 262 HA3 GLY 30 3HA GLY 30 -24.505 -6.667 5.115 263 H GLN 31 H GLN 31 -24.804 -4.075 4.570 264 HA GLN 31 HA GLN 31 -23.137 -2.780 6.370 265 HB2 GLN 31 2HB GLN 31 -25.033 -1.712 4.287 266 HB3 GLN 31 3HB GLN 31 -23.990 -0.656 5.229 267 HG2 GLN 31 2HG GLN 31 -22.912 -2.958 3.637 268 HG3 GLN 31 3HG GLN 31 -23.171 -1.362 2.935 269 HE21 GLN 31 1HE2 GLN 31 -20.714 -2.950 3.452 270 HE22 GLN 31 2HE2 GLN 31 -19.687 -1.903 4.366 271 H ALA 32 H ALA 32 -26.609 -2.105 5.884 272 HA ALA 32 HA ALA 32 -26.968 -0.391 8.025 273 HB1 ALA 32 1HB ALA 32 -28.762 -0.471 6.575 274 HB2 ALA 32 2HB ALA 32 -28.807 -2.234 6.559 275 HB3 ALA 32 3HB ALA 32 -29.384 -1.350 7.972 276 H ALA 33 H ALA 33 -27.357 -3.926 7.959 277 HA ALA 33 HA ALA 33 -28.172 -4.274 10.604 278 HB1 ALA 33 1HB ALA 33 -27.519 -6.583 10.358 279 HB2 ALA 33 2HB ALA 33 -28.258 -6.021 8.858 280 HB3 ALA 33 3HB ALA 33 -26.506 -6.183 8.970 281 H THR 34 H THR 34 -24.908 -4.238 9.212 282 HA THR 34 HA THR 34 -23.553 -4.794 11.636 283 HB THR 34 HB THR 34 -22.521 -3.384 9.167 284 HG1 THR 34 HG1 THR 34 -22.160 -5.350 8.383 285 HG21 THR 34 3HG2 THR 34 -20.302 -4.156 9.989 286 HG22 THR 34 1HG2 THR 34 -21.076 -4.658 11.492 287 HG23 THR 34 2HG2 THR 34 -21.058 -2.955 11.036 288 H VAL 35 H VAL 35 -24.482 -1.795 10.020 289 HA VAL 35 HA VAL 35 -23.089 -0.054 11.776 290 HB VAL 35 HB VAL 35 -25.509 0.516 10.059 291 HG11 VAL 35 1HG1 VAL 35 -23.758 2.221 11.749 292 HG12 VAL 35 2HG1 VAL 35 -24.311 2.872 10.205 293 HG13 VAL 35 3HG1 VAL 35 -25.485 2.352 11.414 294 HG21 VAL 35 3HG2 VAL 35 -22.816 -0.064 9.363 295 HG22 VAL 35 1HG2 VAL 35 -24.150 0.405 8.309 296 HG23 VAL 35 2HG2 VAL 35 -23.117 1.641 9.028 297 H VAL 36 H VAL 36 -26.387 -1.324 11.718 298 HA VAL 36 HA VAL 36 -27.271 0.217 13.961 299 HB VAL 36 HB VAL 36 -28.475 -2.272 12.743 300 HG11 VAL 36 1HG1 VAL 36 -30.570 -1.379 13.837 301 HG12 VAL 36 2HG1 VAL 36 -29.356 -2.049 14.928 302 HG13 VAL 36 3HG1 VAL 36 -29.523 -0.301 14.759 303 HG21 VAL 36 3HG2 VAL 36 -29.846 0.246 12.285 304 HG22 VAL 36 1HG2 VAL 36 -28.212 0.241 11.622 305 HG23 VAL 36 2HG2 VAL 36 -29.364 -1.003 11.137 306 H LYS 37 H LYS 37 -26.408 -3.208 13.513 307 HA LYS 37 HA LYS 37 -26.699 -3.892 16.252 308 HB2 LYS 37 2HB LYS 37 -26.660 -5.432 14.175 309 HB3 LYS 37 3HB LYS 37 -24.910 -5.360 14.331 310 HG2 LYS 37 2HG LYS 37 -26.023 -5.958 16.881 311 HG3 LYS 37 3HG LYS 37 -26.725 -7.046 15.681 312 HD2 LYS 37 2HD LYS 37 -24.336 -7.431 14.877 313 HD3 LYS 37 3HD LYS 37 -23.826 -6.641 16.371 314 HE2 LYS 37 2HE LYS 37 -25.661 -8.451 17.278 315 HE3 LYS 37 3HE LYS 37 -24.925 -9.320 15.931 316 HZ1 LYS 37 3HZ LYS 37 -23.584 -8.214 18.329 317 HZ2 LYS 37 1HZ LYS 37 -22.728 -8.707 16.955 318 HZ3 LYS 37 2HZ LYS 37 -23.650 -9.827 17.823 319 HN1 NH2 38 HN1 NH2 38 -23.237 -4.274 14.718 Start of MODEL 12 1 H1 ARG 1 H ARG 1 1.579 0.868 -1.962 2 HA ARG 1 HA ARG 1 2.834 0.759 -4.174 3 HB2 ARG 1 2HB ARG 1 4.939 0.462 -2.501 4 HB3 ARG 1 3HB ARG 1 4.619 -1.222 -2.895 5 HG2 ARG 1 2HG ARG 1 4.528 0.009 -5.349 6 HG3 ARG 1 3HG ARG 1 5.811 0.882 -4.508 7 HD2 ARG 1 2HD ARG 1 6.540 -1.573 -3.841 8 HD3 ARG 1 3HD ARG 1 5.659 -1.976 -5.314 9 HE ARG 1 HE ARG 1 7.465 0.159 -5.773 10 HH11 ARG 1 1HH1 ARG 1 7.335 -3.288 -5.309 11 HH12 ARG 1 2HH1 ARG 1 8.777 -3.596 -6.219 12 HH21 ARG 1 1HH2 ARG 1 9.364 -0.233 -6.973 13 HH22 ARG 1 2HH2 ARG 1 9.931 -1.858 -7.164 14 H TRP 2 H TRP 2 2.504 -1.717 -1.644 15 HA TRP 2 HA TRP 2 0.990 -3.350 -3.576 16 HB2 TRP 2 2HB TRP 2 3.008 -4.132 -1.502 17 HB3 TRP 2 3HB TRP 2 1.738 -5.267 -1.952 18 HD1 TRP 2 HD1 TRP 2 5.155 -4.458 -2.835 19 HE1 TRP 2 HE1 TRP 2 5.770 -5.349 -5.171 20 HE3 TRP 2 HE3 TRP 2 0.457 -5.454 -4.587 21 HZ2 TRP 2 HZ2 TRP 2 4.439 -6.342 -7.453 22 HZ3 TRP 2 HZ3 TRP 2 0.214 -6.372 -6.857 23 HH2 TRP 2 HH2 TRP 2 2.165 -6.806 -8.259 24 H LYS 3 H LYS 3 1.313 -2.343 -0.207 25 HA LYS 3 HA LYS 3 -0.837 -3.693 0.909 26 HB2 LYS 3 2HB LYS 3 0.554 -1.123 1.528 27 HB3 LYS 3 3HB LYS 3 -0.945 -1.491 2.372 28 HG2 LYS 3 2HG LYS 3 1.363 -3.409 2.286 29 HG3 LYS 3 3HG LYS 3 1.208 -2.157 3.521 30 HD2 LYS 3 2HD LYS 3 -0.313 -3.339 4.647 31 HD3 LYS 3 3HD LYS 3 -1.253 -3.651 3.186 32 HE2 LYS 3 2HE LYS 3 0.340 -5.459 2.606 33 HE3 LYS 3 3HE LYS 3 1.166 -5.181 4.139 34 HZ1 LYS 3 3HZ LYS 3 -1.503 -6.321 3.653 35 HZ2 LYS 3 1HZ LYS 3 -1.174 -5.559 5.128 36 HZ3 LYS 3 2HZ LYS 3 -0.259 -6.897 4.643 37 H ILE 4 H ILE 4 -0.925 -0.261 -0.063 38 HA ILE 4 HA ILE 4 -3.660 0.085 0.061 39 HB ILE 4 HB ILE 4 -1.844 1.403 -1.959 40 HG12 ILE 4 2HG1 ILE 4 -2.279 3.090 0.256 41 HG13 ILE 4 3HG1 ILE 4 -1.852 1.518 0.922 42 HG21 ILE 4 1HG2 ILE 4 -4.080 1.913 -2.499 43 HG22 ILE 4 2HG2 ILE 4 -4.523 2.121 -0.805 44 HG23 ILE 4 3HG2 ILE 4 -3.483 3.305 -1.596 45 HD11 ILE 4 3HD1 ILE 4 0.271 1.992 0.554 46 HD12 ILE 4 1HD1 ILE 4 -0.057 2.001 -1.179 47 HD13 ILE 4 2HD1 ILE 4 -0.170 3.498 -0.252 48 H PHE 5 H PHE 5 -1.725 -0.812 -2.791 49 HA PHE 5 HA PHE 5 -3.753 -0.997 -4.657 50 HB2 PHE 5 2HB PHE 5 -1.034 -1.682 -4.538 51 HB3 PHE 5 3HB PHE 5 -1.867 -3.159 -5.013 52 HD1 PHE 5 HD1 PHE 5 -2.264 0.467 -5.815 53 HD2 PHE 5 HD2 PHE 5 -1.812 -3.507 -7.272 54 HE1 PHE 5 HE1 PHE 5 -2.414 1.300 -8.125 55 HE2 PHE 5 HE2 PHE 5 -1.960 -2.680 -9.584 56 HZ PHE 5 HZ PHE 5 -2.261 -0.273 -10.013 57 H LYS 6 H LYS 6 -2.364 -3.786 -2.917 58 HA LYS 6 HA LYS 6 -4.263 -5.659 -3.650 59 HB2 LYS 6 2HB LYS 6 -2.569 -5.416 -1.169 60 HB3 LYS 6 3HB LYS 6 -3.620 -6.798 -1.451 61 HG2 LYS 6 2HG LYS 6 -1.794 -6.097 -3.655 62 HG3 LYS 6 3HG LYS 6 -1.041 -6.711 -2.181 63 HD2 LYS 6 2HD LYS 6 -2.924 -8.536 -2.366 64 HD3 LYS 6 3HD LYS 6 -2.919 -8.060 -4.066 65 HE2 LYS 6 2HE LYS 6 -1.415 -9.888 -3.844 66 HE3 LYS 6 3HE LYS 6 -0.438 -8.437 -4.062 67 HZ1 LYS 6 3HZ LYS 6 -0.713 -10.157 -1.726 68 HZ2 LYS 6 1HZ LYS 6 -0.558 -8.498 -1.430 69 HZ3 LYS 6 2HZ LYS 6 0.639 -9.318 -2.300 70 H LYS 7 H LYS 7 -4.297 -3.410 -0.920 71 HA LYS 7 HA LYS 7 -6.598 -4.368 0.355 72 HB2 LYS 7 2HB LYS 7 -5.159 -1.750 0.306 73 HB3 LYS 7 3HB LYS 7 -6.750 -1.825 1.052 74 HG2 LYS 7 2HG LYS 7 -5.170 -4.009 1.993 75 HG3 LYS 7 3HG LYS 7 -4.266 -2.504 2.180 76 HD2 LYS 7 2HD LYS 7 -5.436 -2.464 4.135 77 HD3 LYS 7 3HD LYS 7 -6.612 -1.657 3.095 78 HE2 LYS 7 2HE LYS 7 -8.057 -3.209 3.801 79 HE3 LYS 7 3HE LYS 7 -7.199 -4.314 2.728 80 HZ1 LYS 7 3HZ LYS 7 -6.730 -5.506 4.521 81 HZ2 LYS 7 1HZ LYS 7 -7.340 -4.321 5.563 82 HZ3 LYS 7 2HZ LYS 7 -5.729 -4.250 5.054 83 H ILE 8 H ILE 8 -6.419 -1.394 -1.606 84 HA ILE 8 HA ILE 8 -9.132 -1.003 -1.924 85 HB ILE 8 HB ILE 8 -6.974 -0.355 -3.936 86 HG12 ILE 8 2HG1 ILE 8 -6.488 0.606 -1.749 87 HG13 ILE 8 3HG1 ILE 8 -6.985 1.874 -2.864 88 HG21 ILE 8 1HG2 ILE 8 -9.824 0.541 -3.652 89 HG22 ILE 8 2HG2 ILE 8 -8.626 1.505 -4.513 90 HG23 ILE 8 3HG2 ILE 8 -9.012 -0.124 -5.069 91 HD11 ILE 8 3HD1 ILE 8 -8.064 2.356 -0.848 92 HD12 ILE 8 1HD1 ILE 8 -9.304 1.625 -1.865 93 HD13 ILE 8 2HD1 ILE 8 -8.531 0.675 -0.596 94 H GLU 9 H GLU 9 -6.939 -2.963 -3.890 95 HA GLU 9 HA GLU 9 -8.757 -3.620 -5.928 96 HB2 GLU 9 2HB GLU 9 -6.291 -4.979 -4.866 97 HB3 GLU 9 3HB GLU 9 -7.233 -5.680 -6.174 98 HG2 GLU 9 2HG GLU 9 -6.284 -2.857 -6.364 99 HG3 GLU 9 3HG GLU 9 -5.183 -4.190 -6.710 100 H LYS 10 H LYS 10 -7.886 -5.371 -2.957 101 HA LYS 10 HA LYS 10 -9.673 -7.521 -3.355 102 HB2 LYS 10 2HB LYS 10 -7.760 -7.623 -1.807 103 HB3 LYS 10 3HB LYS 10 -8.540 -6.436 -0.769 104 HG2 LYS 10 2HG LYS 10 -10.480 -8.141 -0.676 105 HG3 LYS 10 3HG LYS 10 -9.272 -9.293 -1.251 106 HD2 LYS 10 2HD LYS 10 -8.494 -7.570 1.027 107 HD3 LYS 10 3HD LYS 10 -9.711 -8.807 1.347 108 HE2 LYS 10 2HE LYS 10 -7.619 -9.804 1.814 109 HE3 LYS 10 3HE LYS 10 -8.137 -10.457 0.261 110 HZ1 LYS 10 3HZ LYS 10 -6.330 -8.122 0.454 111 HZ2 LYS 10 1HZ LYS 10 -6.613 -9.121 -0.882 112 HZ3 LYS 10 2HZ LYS 10 -5.745 -9.710 0.445 113 H VAL 11 H VAL 11 -9.926 -4.757 -1.109 114 HA VAL 11 HA VAL 11 -12.495 -5.202 -0.204 115 HB VAL 11 HB VAL 11 -11.193 -2.523 -0.712 116 HG11 VAL 11 1HG1 VAL 11 -13.151 -1.657 -0.106 117 HG12 VAL 11 2HG1 VAL 11 -13.803 -3.248 0.293 118 HG13 VAL 11 3HG1 VAL 11 -12.877 -2.347 1.494 119 HG21 VAL 11 3HG2 VAL 11 -11.305 -4.081 1.862 120 HG22 VAL 11 1HG2 VAL 11 -9.943 -4.151 0.745 121 HG23 VAL 11 2HG2 VAL 11 -10.373 -2.624 1.516 122 H GLY 12 H GLY 12 -11.431 -3.826 -3.239 123 HA2 GLY 12 2HA GLY 12 -13.949 -2.727 -4.002 124 HA3 GLY 12 3HA GLY 12 -12.591 -3.047 -5.069 125 H ARG 13 H ARG 13 -12.265 -5.722 -4.943 126 HA ARG 13 HA ARG 13 -14.410 -6.667 -6.550 127 HB2 ARG 13 2HB ARG 13 -11.755 -7.490 -5.903 128 HB3 ARG 13 3HB ARG 13 -12.835 -8.851 -5.629 129 HG2 ARG 13 2HG ARG 13 -12.876 -9.257 -7.800 130 HG3 ARG 13 3HG ARG 13 -13.558 -7.656 -8.093 131 HD2 ARG 13 2HD ARG 13 -11.482 -6.707 -8.504 132 HD3 ARG 13 3HD ARG 13 -10.620 -7.981 -7.643 133 HE ARG 13 HE ARG 13 -11.958 -8.995 -9.940 134 HH11 ARG 13 1HH1 ARG 13 -9.140 -7.227 -8.913 135 HH12 ARG 13 2HH1 ARG 13 -8.185 -7.700 -10.278 136 HH21 ARG 13 1HH2 ARG 13 -10.710 -9.625 -11.742 137 HH22 ARG 13 2HH2 ARG 13 -9.079 -9.064 -11.887 138 H ASN 14 H ASN 14 -13.564 -6.991 -3.174 139 HA ASN 14 HA ASN 14 -15.109 -9.190 -2.461 140 HB2 ASN 14 2HB ASN 14 -13.482 -8.018 -0.975 141 HB3 ASN 14 3HB ASN 14 -14.648 -6.712 -0.788 142 HD21 ASN 14 1HD2 ASN 14 -16.762 -7.302 0.104 143 HD22 ASN 14 2HD2 ASN 14 -16.831 -8.547 1.299 144 H VAL 15 H VAL 15 -16.065 -5.817 -1.816 145 HA VAL 15 HA VAL 15 -18.728 -6.284 -1.274 146 HB VAL 15 HB VAL 15 -17.571 -3.845 -2.632 147 HG11 VAL 15 1HG1 VAL 15 -19.620 -2.914 -1.167 148 HG12 VAL 15 2HG1 VAL 15 -19.771 -3.379 -2.863 149 HG13 VAL 15 3HG1 VAL 15 -20.254 -4.503 -1.592 150 HG21 VAL 15 3HG2 VAL 15 -17.754 -3.002 -0.183 151 HG22 VAL 15 1HG2 VAL 15 -17.739 -4.719 0.223 152 HG23 VAL 15 2HG2 VAL 15 -16.382 -4.007 -0.651 153 H ARG 16 H ARG 16 -17.313 -5.371 -4.416 154 HA ARG 16 HA ARG 16 -19.609 -5.331 -5.942 155 HB2 ARG 16 2HB ARG 16 -16.749 -5.621 -6.442 156 HB3 ARG 16 3HB ARG 16 -17.731 -6.453 -7.640 157 HG2 ARG 16 2HG ARG 16 -18.216 -4.543 -8.645 158 HG3 ARG 16 3HG ARG 16 -18.809 -3.846 -7.136 159 HD2 ARG 16 2HD ARG 16 -16.640 -3.082 -6.540 160 HD3 ARG 16 3HD ARG 16 -15.887 -4.013 -7.835 161 HE ARG 16 HE ARG 16 -17.639 -2.286 -9.072 162 HH11 ARG 16 1HH1 ARG 16 -14.862 -2.013 -6.989 163 HH12 ARG 16 2HH1 ARG 16 -14.363 -0.486 -7.637 164 HH21 ARG 16 1HH2 ARG 16 -16.992 -0.275 -9.933 165 HH22 ARG 16 2HH2 ARG 16 -15.576 0.502 -9.311 166 H ASP 17 H ASP 17 -17.391 -8.114 -5.647 167 HA ASP 17 HA ASP 17 -18.994 -9.962 -6.976 168 HB2 ASP 17 2HB ASP 17 -16.571 -10.238 -6.294 169 HB3 ASP 17 3HB ASP 17 -17.152 -10.627 -4.677 170 H GLY 18 H GLY 18 -18.988 -8.961 -3.599 171 HA2 GLY 18 2HA GLY 18 -20.717 -10.975 -2.624 172 HA3 GLY 18 3HA GLY 18 -20.426 -9.416 -1.867 173 H ILE 19 H ILE 19 -21.369 -7.696 -3.821 174 HA ILE 19 HA ILE 19 -24.185 -7.885 -3.368 175 HB ILE 19 HB ILE 19 -22.629 -5.955 -5.094 176 HG12 ILE 19 2HG1 ILE 19 -22.040 -5.894 -2.689 177 HG13 ILE 19 3HG1 ILE 19 -22.835 -4.416 -3.219 178 HG21 ILE 19 1HG2 ILE 19 -25.515 -6.139 -4.352 179 HG22 ILE 19 2HG2 ILE 19 -24.775 -4.561 -4.610 180 HG23 ILE 19 3HG2 ILE 19 -24.778 -5.756 -5.907 181 HD11 ILE 19 3HD1 ILE 19 -23.609 -5.179 -1.023 182 HD12 ILE 19 1HD1 ILE 19 -24.908 -5.133 -2.214 183 HD13 ILE 19 2HD1 ILE 19 -24.182 -6.675 -1.759 184 H ILE 20 H ILE 20 -22.052 -8.425 -6.112 185 HA ILE 20 HA ILE 20 -24.124 -8.700 -8.047 186 HB ILE 20 HB ILE 20 -21.282 -9.721 -8.113 187 HG12 ILE 20 2HG1 ILE 20 -22.297 -7.350 -9.636 188 HG13 ILE 20 3HG1 ILE 20 -21.872 -7.165 -7.938 189 HG21 ILE 20 1HG2 ILE 20 -22.545 -10.962 -9.698 190 HG22 ILE 20 2HG2 ILE 20 -23.383 -9.516 -10.258 191 HG23 ILE 20 3HG2 ILE 20 -21.665 -9.725 -10.596 192 HD11 ILE 20 3HD1 ILE 20 -19.974 -6.543 -9.180 193 HD12 ILE 20 1HD1 ILE 20 -19.627 -8.142 -8.522 194 HD13 ILE 20 2HD1 ILE 20 -20.091 -7.967 -10.214 195 H LYS 21 H LYS 21 -22.127 -11.055 -6.277 196 HA LYS 21 HA LYS 21 -23.175 -13.388 -7.345 197 HB2 LYS 21 2HB LYS 21 -21.235 -13.479 -5.939 198 HB3 LYS 21 3HB LYS 21 -22.121 -12.806 -4.577 199 HG2 LYS 21 2HG LYS 21 -23.291 -14.789 -4.204 200 HG3 LYS 21 3HG LYS 21 -22.910 -15.421 -5.807 201 HD2 LYS 21 2HD LYS 21 -20.894 -16.200 -5.159 202 HD3 LYS 21 3HD LYS 21 -20.583 -14.816 -4.109 203 HE2 LYS 21 2HE LYS 21 -20.861 -16.358 -2.481 204 HE3 LYS 21 3HE LYS 21 -22.566 -15.991 -2.734 205 HZ1 LYS 21 3HZ LYS 21 -21.485 -18.454 -2.857 206 HZ2 LYS 21 1HZ LYS 21 -21.525 -18.024 -4.493 207 HZ3 LYS 21 2HZ LYS 21 -22.949 -18.008 -3.580 208 H ALA 22 H ALA 22 -24.310 -11.521 -4.547 209 HA ALA 22 HA ALA 22 -26.520 -13.277 -4.040 210 HB1 ALA 22 1HB ALA 22 -25.994 -12.247 -2.092 211 HB2 ALA 22 2HB ALA 22 -25.482 -10.758 -2.887 212 HB3 ALA 22 3HB ALA 22 -27.199 -11.092 -2.663 213 H GLY 23 H GLY 23 -26.602 -9.788 -4.777 214 HA2 GLY 23 2HA GLY 23 -27.786 -9.289 -6.984 215 HA3 GLY 23 3HA GLY 23 -29.068 -10.288 -6.316 216 HA PRO 24 HA PRO 24 -30.879 -6.848 -4.304 217 HB2 PRO 24 2HB PRO 24 -31.578 -7.826 -1.870 218 HB3 PRO 24 3HB PRO 24 -32.404 -8.285 -3.364 219 HG2 PRO 24 2HG PRO 24 -30.282 -9.752 -1.844 220 HG3 PRO 24 3HG PRO 24 -31.760 -10.383 -2.595 221 HD2 PRO 24 2HD PRO 24 -29.326 -10.601 -3.761 222 HD3 PRO 24 3HD PRO 24 -30.822 -10.427 -4.700 223 H ALA 25 H ALA 25 -29.118 -5.426 -4.111 224 HA ALA 25 HA ALA 25 -27.101 -5.555 -2.179 225 HB1 ALA 25 1HB ALA 25 -28.204 -3.445 -3.941 226 HB2 ALA 25 2HB ALA 25 -27.217 -2.923 -2.575 227 HB3 ALA 25 3HB ALA 25 -26.550 -4.034 -3.771 228 H VAL 26 H VAL 26 -30.279 -3.995 -2.092 229 HA VAL 26 HA VAL 26 -30.074 -2.602 0.289 230 HB VAL 26 HB VAL 26 -32.522 -4.069 -0.704 231 HG11 VAL 26 1HG1 VAL 26 -33.265 -1.692 0.529 232 HG12 VAL 26 2HG1 VAL 26 -33.454 -3.323 1.176 233 HG13 VAL 26 3HG1 VAL 26 -32.026 -2.371 1.583 234 HG21 VAL 26 3HG2 VAL 26 -31.964 -2.720 -2.498 235 HG22 VAL 26 1HG2 VAL 26 -33.020 -1.663 -1.561 236 HG23 VAL 26 2HG2 VAL 26 -31.269 -1.465 -1.473 237 H ALA 27 H ALA 27 -31.474 -5.865 -0.092 238 HA ALA 27 HA ALA 27 -31.774 -6.447 2.605 239 HB1 ALA 27 1HB ALA 27 -31.229 -8.311 0.299 240 HB2 ALA 27 2HB ALA 27 -31.740 -8.830 1.906 241 HB3 ALA 27 3HB ALA 27 -32.804 -7.821 0.925 242 H VAL 28 H VAL 28 -29.026 -7.203 0.471 243 HA VAL 28 HA VAL 28 -27.430 -8.534 2.318 244 HB VAL 28 HB VAL 28 -26.525 -6.746 0.056 245 HG11 VAL 28 1HG1 VAL 28 -24.504 -7.068 0.968 246 HG12 VAL 28 2HG1 VAL 28 -25.075 -8.376 2.007 247 HG13 VAL 28 3HG1 VAL 28 -24.644 -8.706 0.329 248 HG21 VAL 28 3HG2 VAL 28 -27.989 -9.112 -0.039 249 HG22 VAL 28 1HG2 VAL 28 -27.109 -8.356 -1.367 250 HG23 VAL 28 2HG2 VAL 28 -26.329 -9.596 -0.385 251 H VAL 29 H VAL 29 -27.009 -5.134 1.311 252 HA VAL 29 HA VAL 29 -25.190 -4.389 3.252 253 HB VAL 29 HB VAL 29 -27.351 -2.664 2.035 254 HG11 VAL 29 1HG1 VAL 29 -25.365 -2.107 4.031 255 HG12 VAL 29 2HG1 VAL 29 -25.046 -1.162 2.575 256 HG13 VAL 29 3HG1 VAL 29 -26.615 -1.051 3.373 257 HG21 VAL 29 3HG2 VAL 29 -25.865 -2.160 0.295 258 HG22 VAL 29 1HG2 VAL 29 -24.486 -2.840 1.158 259 HG23 VAL 29 2HG2 VAL 29 -25.726 -3.906 0.498 260 H GLY 30 H GLY 30 -28.738 -4.054 3.377 261 HA2 GLY 30 2HA GLY 30 -28.941 -2.917 5.907 262 HA3 GLY 30 3HA GLY 30 -30.176 -3.919 5.160 263 H GLN 31 H GLN 31 -29.413 -6.373 5.150 264 HA GLN 31 HA GLN 31 -29.588 -7.297 7.746 265 HB2 GLN 31 2HB GLN 31 -30.102 -8.723 5.863 266 HB3 GLN 31 3HB GLN 31 -28.432 -8.666 5.313 267 HG2 GLN 31 2HG GLN 31 -27.706 -9.901 7.250 268 HG3 GLN 31 3HG GLN 31 -29.337 -9.868 7.919 269 HE21 GLN 31 1HE2 GLN 31 -27.156 -11.675 6.222 270 HE22 GLN 31 2HE2 GLN 31 -28.236 -12.807 5.490 271 H ALA 32 H ALA 32 -26.654 -7.277 5.715 272 HA ALA 32 HA ALA 32 -24.844 -8.175 7.599 273 HB1 ALA 32 1HB ALA 32 -23.163 -7.466 6.176 274 HB2 ALA 32 2HB ALA 32 -24.538 -7.631 5.083 275 HB3 ALA 32 3HB ALA 32 -24.059 -6.036 5.663 276 H ALA 33 H ALA 33 -25.487 -4.759 6.780 277 HA ALA 33 HA ALA 33 -23.919 -3.581 8.729 278 HB1 ALA 33 1HB ALA 33 -26.569 -2.510 7.776 279 HB2 ALA 33 2HB ALA 33 -25.204 -1.589 8.409 280 HB3 ALA 33 3HB ALA 33 -25.070 -2.409 6.853 281 H THR 34 H THR 34 -27.283 -4.675 8.954 282 HA THR 34 HA THR 34 -27.768 -3.733 11.566 283 HB THR 34 HB THR 34 -29.047 -6.071 10.135 284 HG1 THR 34 HG1 THR 34 -30.516 -4.577 9.418 285 HG21 THR 34 3HG2 THR 34 -29.900 -6.445 12.194 286 HG22 THR 34 1HG2 THR 34 -30.947 -5.084 11.794 287 HG23 THR 34 2HG2 THR 34 -29.499 -4.826 12.768 288 H VAL 35 H VAL 35 -26.596 -6.847 10.350 289 HA VAL 35 HA VAL 35 -26.511 -8.134 12.877 290 HB VAL 35 HB VAL 35 -24.938 -8.756 10.373 291 HG11 VAL 35 1HG1 VAL 35 -24.736 -11.016 11.350 292 HG12 VAL 35 2HG1 VAL 35 -23.913 -9.782 12.306 293 HG13 VAL 35 3HG1 VAL 35 -25.473 -10.414 12.835 294 HG21 VAL 35 3HG2 VAL 35 -26.784 -9.657 9.515 295 HG22 VAL 35 1HG2 VAL 35 -27.098 -10.559 10.998 296 HG23 VAL 35 2HG2 VAL 35 -27.689 -8.906 10.829 297 H VAL 36 H VAL 36 -24.170 -6.260 11.024 298 HA VAL 36 HA VAL 36 -21.968 -6.789 12.765 299 HB VAL 36 HB VAL 36 -22.341 -4.550 10.771 300 HG11 VAL 36 1HG1 VAL 36 -20.628 -4.007 12.398 301 HG12 VAL 36 2HG1 VAL 36 -19.855 -5.572 12.141 302 HG13 VAL 36 3HG1 VAL 36 -19.888 -4.380 10.842 303 HG21 VAL 36 3HG2 VAL 36 -21.855 -5.994 9.146 304 HG22 VAL 36 1HG2 VAL 36 -20.477 -6.633 10.042 305 HG23 VAL 36 2HG2 VAL 36 -22.091 -7.287 10.321 306 H LYS 37 H LYS 37 -23.893 -3.836 12.202 307 HA LYS 37 HA LYS 37 -22.843 -2.298 14.254 308 HB2 LYS 37 2HB LYS 37 -24.418 -1.550 12.428 309 HB3 LYS 37 3HB LYS 37 -25.731 -2.242 13.371 310 HG2 LYS 37 2HG LYS 37 -25.272 -0.715 15.191 311 HG3 LYS 37 3HG LYS 37 -23.885 -0.059 14.319 312 HD2 LYS 37 2HD LYS 37 -25.217 1.016 12.753 313 HD3 LYS 37 3HD LYS 37 -26.602 -0.033 13.064 314 HE2 LYS 37 2HE LYS 37 -27.358 1.737 14.233 315 HE3 LYS 37 3HE LYS 37 -26.294 1.112 15.492 316 HZ1 LYS 37 3HZ LYS 37 -24.535 2.590 14.456 317 HZ2 LYS 37 1HZ LYS 37 -25.773 3.367 15.309 318 HZ3 LYS 37 2HZ LYS 37 -25.796 3.345 13.618 319 HN1 NH2 38 HN1 NH2 38 -26.285 -3.916 14.796 Start of MODEL 13 1 H1 ARG 1 H ARG 1 1.715 0.250 -2.015 2 HA ARG 1 HA ARG 1 3.959 0.099 -3.207 3 HB2 ARG 1 2HB ARG 1 4.282 -1.688 -0.830 4 HB3 ARG 1 3HB ARG 1 5.120 -2.089 -2.322 5 HG2 ARG 1 2HG ARG 1 6.566 -0.361 -2.139 6 HG3 ARG 1 3HG ARG 1 5.382 0.692 -1.364 7 HD2 ARG 1 2HD ARG 1 6.630 0.302 0.472 8 HD3 ARG 1 3HD ARG 1 5.681 -1.181 0.549 9 HE ARG 1 HE ARG 1 7.875 -1.728 -1.045 10 HH11 ARG 1 1HH1 ARG 1 7.264 -0.767 2.244 11 HH12 ARG 1 2HH1 ARG 1 8.679 -1.544 2.872 12 HH21 ARG 1 1HH2 ARG 1 9.742 -2.755 -0.231 13 HH22 ARG 1 2HH2 ARG 1 10.089 -2.674 1.463 14 H TRP 2 H TRP 2 1.854 -2.388 -1.815 15 HA TRP 2 HA TRP 2 0.738 -3.123 -4.284 16 HB2 TRP 2 2HB TRP 2 3.280 -4.201 -3.969 17 HB3 TRP 2 3HB TRP 2 2.206 -5.513 -3.493 18 HD1 TRP 2 HD1 TRP 2 1.851 -2.942 -6.387 19 HE1 TRP 2 HE1 TRP 2 1.475 -4.259 -8.566 20 HE3 TRP 2 HE3 TRP 2 2.216 -7.694 -4.536 21 HZ2 TRP 2 HZ2 TRP 2 1.350 -6.956 -9.391 22 HZ3 TRP 2 HZ3 TRP 2 1.956 -9.586 -6.087 23 HH2 TRP 2 HH2 TRP 2 1.531 -9.223 -8.463 24 H LYS 3 H LYS 3 1.646 -4.234 -1.054 25 HA LYS 3 HA LYS 3 -0.309 -6.173 -0.671 26 HB2 LYS 3 2HB LYS 3 1.688 -5.389 0.838 27 HB3 LYS 3 3HB LYS 3 0.476 -4.347 1.571 28 HG2 LYS 3 2HG LYS 3 -0.600 -6.971 1.368 29 HG3 LYS 3 3HG LYS 3 1.005 -7.071 2.095 30 HD2 LYS 3 2HD LYS 3 0.355 -5.367 3.738 31 HD3 LYS 3 3HD LYS 3 -1.255 -5.293 3.016 32 HE2 LYS 3 2HE LYS 3 -1.867 -6.915 4.409 33 HE3 LYS 3 3HE LYS 3 -0.800 -8.000 3.520 34 HZ1 LYS 3 3HZ LYS 3 0.696 -6.447 5.348 35 HZ2 LYS 3 1HZ LYS 3 0.532 -8.129 5.267 36 HZ3 LYS 3 2HZ LYS 3 -0.573 -7.215 6.163 37 H ILE 4 H ILE 4 -0.460 -2.849 0.620 38 HA ILE 4 HA ILE 4 -3.112 -2.860 1.379 39 HB ILE 4 HB ILE 4 -1.624 -0.485 0.254 40 HG12 ILE 4 2HG1 ILE 4 -1.702 -0.453 3.086 41 HG13 ILE 4 3HG1 ILE 4 -1.154 -2.056 2.609 42 HG21 ILE 4 1HG2 ILE 4 -3.966 -0.016 0.435 43 HG22 ILE 4 2HG2 ILE 4 -4.025 -0.699 2.060 44 HG23 ILE 4 3HG2 ILE 4 -3.136 0.795 1.763 45 HD11 ILE 4 3HD1 ILE 4 0.500 -0.829 1.095 46 HD12 ILE 4 1HD1 ILE 4 0.102 0.600 2.049 47 HD13 ILE 4 2HD1 ILE 4 0.798 -0.819 2.833 48 H PHE 5 H PHE 5 -1.788 -1.682 -1.715 49 HA PHE 5 HA PHE 5 -4.150 -0.967 -2.950 50 HB2 PHE 5 2HB PHE 5 -1.440 -1.492 -3.761 51 HB3 PHE 5 3HB PHE 5 -2.554 -2.154 -4.953 52 HD1 PHE 5 HD1 PHE 5 -4.381 -0.595 -5.843 53 HD2 PHE 5 HD2 PHE 5 -0.933 0.770 -3.755 54 HE1 PHE 5 HE1 PHE 5 -4.698 1.651 -6.795 55 HE2 PHE 5 HE2 PHE 5 -1.245 3.019 -4.703 56 HZ PHE 5 HZ PHE 5 -3.130 3.462 -6.225 57 H LYS 6 H LYS 6 -2.473 -4.085 -3.398 58 HA LYS 6 HA LYS 6 -4.454 -5.375 -4.838 59 HB2 LYS 6 2HB LYS 6 -2.053 -6.136 -4.250 60 HB3 LYS 6 3HB LYS 6 -2.780 -6.826 -2.805 61 HG2 LYS 6 2HG LYS 6 -2.692 -8.586 -4.338 62 HG3 LYS 6 3HG LYS 6 -4.370 -8.040 -4.377 63 HD2 LYS 6 2HD LYS 6 -3.804 -6.662 -6.376 64 HD3 LYS 6 3HD LYS 6 -2.198 -7.395 -6.369 65 HE2 LYS 6 2HE LYS 6 -3.300 -9.627 -6.547 66 HE3 LYS 6 3HE LYS 6 -4.842 -8.796 -6.740 67 HZ1 LYS 6 3HZ LYS 6 -2.551 -8.234 -8.521 68 HZ2 LYS 6 1HZ LYS 6 -4.192 -7.912 -8.780 69 HZ3 LYS 6 2HZ LYS 6 -3.624 -9.504 -8.835 70 H LYS 7 H LYS 7 -4.053 -5.122 -1.333 71 HA LYS 7 HA LYS 7 -6.130 -6.860 -0.591 72 HB2 LYS 7 2HB LYS 7 -4.501 -6.157 1.036 73 HB3 LYS 7 3HB LYS 7 -4.946 -4.468 0.824 74 HG2 LYS 7 2HG LYS 7 -6.784 -4.643 2.134 75 HG3 LYS 7 3HG LYS 7 -7.094 -6.317 1.669 76 HD2 LYS 7 2HD LYS 7 -6.295 -6.851 3.690 77 HD3 LYS 7 3HD LYS 7 -4.704 -6.492 3.014 78 HE2 LYS 7 2HE LYS 7 -6.459 -4.437 4.345 79 HE3 LYS 7 3HE LYS 7 -5.222 -5.361 5.196 80 HZ1 LYS 7 3HZ LYS 7 -3.734 -3.888 4.520 81 HZ2 LYS 7 1HZ LYS 7 -4.913 -3.033 3.660 82 HZ3 LYS 7 2HZ LYS 7 -4.054 -4.279 2.906 83 H ILE 8 H ILE 8 -6.208 -3.296 -0.419 84 HA ILE 8 HA ILE 8 -8.923 -2.998 -0.043 85 HB ILE 8 HB ILE 8 -7.130 -1.144 -1.615 86 HG12 ILE 8 2HG1 ILE 8 -6.258 -1.654 0.635 87 HG13 ILE 8 3HG1 ILE 8 -6.791 0.019 0.509 88 HG21 ILE 8 1HG2 ILE 8 -9.753 -0.643 -0.215 89 HG22 ILE 8 2HG2 ILE 8 -8.731 0.597 -0.942 90 HG23 ILE 8 3HG2 ILE 8 -9.476 -0.638 -1.957 91 HD11 ILE 8 3HD1 ILE 8 -8.814 -0.490 1.703 92 HD12 ILE 8 1HD1 ILE 8 -8.405 -2.205 1.730 93 HD13 ILE 8 2HD1 ILE 8 -7.423 -1.050 2.632 94 H GLU 9 H GLU 9 -7.141 -3.310 -3.081 95 HA GLU 9 HA GLU 9 -9.314 -2.818 -4.808 96 HB2 GLU 9 2HB GLU 9 -7.050 -2.715 -5.639 97 HB3 GLU 9 3HB GLU 9 -6.775 -4.401 -5.221 98 HG2 GLU 9 2HG GLU 9 -8.003 -5.187 -6.994 99 HG3 GLU 9 3HG GLU 9 -8.960 -3.713 -7.124 100 H LYS 10 H LYS 10 -7.914 -5.864 -3.621 101 HA LYS 10 HA LYS 10 -9.733 -7.569 -4.929 102 HB2 LYS 10 2HB LYS 10 -7.887 -7.871 -2.589 103 HB3 LYS 10 3HB LYS 10 -9.033 -9.151 -2.962 104 HG2 LYS 10 2HG LYS 10 -7.130 -8.058 -5.009 105 HG3 LYS 10 3HG LYS 10 -6.700 -9.379 -3.920 106 HD2 LYS 10 2HD LYS 10 -8.958 -10.403 -4.785 107 HD3 LYS 10 3HD LYS 10 -8.683 -9.317 -6.149 108 HE2 LYS 10 2HE LYS 10 -6.222 -10.532 -5.712 109 HE3 LYS 10 3HE LYS 10 -7.397 -11.826 -5.487 110 HZ1 LYS 10 3HZ LYS 10 -8.365 -11.193 -7.656 111 HZ2 LYS 10 1HZ LYS 10 -6.769 -11.742 -7.775 112 HZ3 LYS 10 2HZ LYS 10 -7.103 -10.087 -7.874 113 H VAL 11 H VAL 11 -9.627 -6.633 -1.485 114 HA VAL 11 HA VAL 11 -12.047 -7.768 -0.728 115 HB VAL 11 HB VAL 11 -10.342 -6.840 0.837 116 HG11 VAL 11 1HG1 VAL 11 -11.604 -4.153 0.493 117 HG12 VAL 11 2HG1 VAL 11 -10.047 -4.578 1.207 118 HG13 VAL 11 3HG1 VAL 11 -10.262 -4.636 -0.543 119 HG21 VAL 11 3HG2 VAL 11 -12.635 -5.429 1.856 120 HG22 VAL 11 1HG2 VAL 11 -13.123 -6.945 1.097 121 HG23 VAL 11 2HG2 VAL 11 -11.928 -6.952 2.393 122 H GLY 12 H GLY 12 -11.391 -4.770 -2.393 123 HA2 GLY 12 2HA GLY 12 -13.981 -3.622 -1.983 124 HA3 GLY 12 3HA GLY 12 -12.778 -3.088 -3.148 125 H ARG 13 H ARG 13 -12.503 -5.540 -4.557 126 HA ARG 13 HA ARG 13 -14.817 -5.330 -6.259 127 HB2 ARG 13 2HB ARG 13 -12.432 -5.614 -7.063 128 HB3 ARG 13 3HB ARG 13 -12.530 -7.282 -6.515 129 HG2 ARG 13 2HG ARG 13 -14.015 -7.882 -8.166 130 HG3 ARG 13 3HG ARG 13 -14.597 -6.230 -8.388 131 HD2 ARG 13 2HD ARG 13 -11.752 -6.560 -8.964 132 HD3 ARG 13 3HD ARG 13 -12.798 -7.526 -10.004 133 HE ARG 13 HE ARG 13 -13.844 -4.944 -9.900 134 HH11 ARG 13 1HH1 ARG 13 -11.005 -6.586 -11.067 135 HH12 ARG 13 2HH1 ARG 13 -10.725 -5.461 -12.355 136 HH21 ARG 13 1HH2 ARG 13 -13.486 -3.456 -11.592 137 HH22 ARG 13 2HH2 ARG 13 -12.136 -3.681 -12.652 138 H ASN 14 H ASN 14 -13.563 -7.587 -3.902 139 HA ASN 14 HA ASN 14 -15.015 -9.869 -4.523 140 HB2 ASN 14 2HB ASN 14 -13.256 -9.248 -2.582 141 HB3 ASN 14 3HB ASN 14 -14.746 -9.202 -1.644 142 HD21 ASN 14 1HD2 ASN 14 -15.217 -11.032 -0.693 143 HD22 ASN 14 2HD2 ASN 14 -14.829 -12.615 -1.267 144 H VAL 15 H VAL 15 -15.908 -7.466 -2.038 145 HA VAL 15 HA VAL 15 -18.453 -8.381 -1.498 146 HB VAL 15 HB VAL 15 -17.644 -5.472 -1.560 147 HG11 VAL 15 1HG1 VAL 15 -19.827 -5.262 -1.049 148 HG12 VAL 15 2HG1 VAL 15 -19.982 -6.949 -0.555 149 HG13 VAL 15 3HG1 VAL 15 -19.299 -5.762 0.557 150 HG21 VAL 15 3HG2 VAL 15 -17.309 -6.083 0.988 151 HG22 VAL 15 1HG2 VAL 15 -16.994 -7.684 0.318 152 HG23 VAL 15 2HG2 VAL 15 -16.014 -6.308 -0.189 153 H ARG 16 H ARG 16 -17.598 -5.778 -3.786 154 HA ARG 16 HA ARG 16 -20.111 -5.273 -4.804 155 HB2 ARG 16 2HB ARG 16 -17.653 -4.301 -5.319 156 HB3 ARG 16 3HB ARG 16 -17.885 -5.280 -6.762 157 HG2 ARG 16 2HG ARG 16 -19.127 -3.688 -7.659 158 HG3 ARG 16 3HG ARG 16 -20.258 -3.785 -6.308 159 HD2 ARG 16 2HD ARG 16 -17.715 -2.164 -6.320 160 HD3 ARG 16 3HD ARG 16 -19.323 -1.517 -6.645 161 HE ARG 16 HE ARG 16 -18.202 -2.137 -4.089 162 HH11 ARG 16 1HH1 ARG 16 -21.172 -1.921 -5.892 163 HH12 ARG 16 2HH1 ARG 16 -22.153 -1.639 -4.493 164 HH21 ARG 16 1HH2 ARG 16 -19.483 -1.766 -2.239 165 HH22 ARG 16 2HH2 ARG 16 -21.192 -1.550 -2.415 166 H ASP 17 H ASP 17 -17.676 -7.397 -6.322 167 HA ASP 17 HA ASP 17 -19.269 -8.459 -8.313 168 HB2 ASP 17 2HB ASP 17 -16.738 -8.782 -7.831 169 HB3 ASP 17 3HB ASP 17 -17.258 -10.166 -6.873 170 H GLY 18 H GLY 18 -18.920 -9.520 -4.955 171 HA2 GLY 18 2HA GLY 18 -20.483 -11.864 -5.181 172 HA3 GLY 18 3HA GLY 18 -20.140 -10.998 -3.690 173 H ILE 19 H ILE 19 -21.336 -8.549 -4.248 174 HA ILE 19 HA ILE 19 -24.056 -9.157 -3.677 175 HB ILE 19 HB ILE 19 -22.787 -6.497 -4.339 176 HG12 ILE 19 2HG1 ILE 19 -23.568 -7.468 -1.603 177 HG13 ILE 19 3HG1 ILE 19 -21.998 -7.875 -2.287 178 HG21 ILE 19 1HG2 ILE 19 -25.537 -7.290 -3.821 179 HG22 ILE 19 2HG2 ILE 19 -24.967 -6.035 -2.722 180 HG23 ILE 19 3HG2 ILE 19 -24.897 -5.779 -4.466 181 HD11 ILE 19 3HD1 ILE 19 -21.974 -5.900 -0.798 182 HD12 ILE 19 1HD1 ILE 19 -21.398 -5.566 -2.431 183 HD13 ILE 19 2HD1 ILE 19 -23.020 -5.068 -1.949 184 H ILE 20 H ILE 20 -22.329 -8.076 -6.541 185 HA ILE 20 HA ILE 20 -24.678 -7.516 -8.073 186 HB ILE 20 HB ILE 20 -21.849 -8.026 -9.002 187 HG12 ILE 20 2HG1 ILE 20 -23.212 -5.352 -8.818 188 HG13 ILE 20 3HG1 ILE 20 -22.389 -6.042 -7.423 189 HG21 ILE 20 1HG2 ILE 20 -24.357 -7.379 -10.421 190 HG22 ILE 20 2HG2 ILE 20 -22.919 -6.490 -10.918 191 HG23 ILE 20 3HG2 ILE 20 -22.930 -8.252 -10.977 192 HD11 ILE 20 3HD1 ILE 20 -20.301 -5.975 -8.498 193 HD12 ILE 20 1HD1 ILE 20 -21.034 -5.679 -10.074 194 HD13 ILE 20 2HD1 ILE 20 -21.068 -4.423 -8.835 195 H LYS 21 H LYS 21 -22.260 -10.135 -8.239 196 HA LYS 21 HA LYS 21 -23.523 -11.690 -10.163 197 HB2 LYS 21 2HB LYS 21 -21.733 -12.462 -7.861 198 HB3 LYS 21 3HB LYS 21 -22.275 -13.616 -9.072 199 HG2 LYS 21 2HG LYS 21 -21.075 -11.169 -10.157 200 HG3 LYS 21 3HG LYS 21 -19.981 -12.188 -9.219 201 HD2 LYS 21 2HD LYS 21 -21.645 -13.726 -11.040 202 HD3 LYS 21 3HD LYS 21 -20.661 -12.524 -11.879 203 HE2 LYS 21 2HE LYS 21 -19.184 -14.266 -11.819 204 HE3 LYS 21 3HE LYS 21 -18.775 -13.474 -10.298 205 HZ1 LYS 21 3HZ LYS 21 -19.372 -15.275 -9.179 206 HZ2 LYS 21 1HZ LYS 21 -19.562 -16.092 -10.649 207 HZ3 LYS 21 2HZ LYS 21 -20.888 -15.328 -9.929 208 H ALA 22 H ALA 22 -23.479 -12.530 -6.700 209 HA ALA 22 HA ALA 22 -25.983 -13.975 -7.038 210 HB1 ALA 22 1HB ALA 22 -25.575 -14.774 -4.748 211 HB2 ALA 22 2HB ALA 22 -24.206 -15.081 -5.817 212 HB3 ALA 22 3HB ALA 22 -24.141 -13.751 -4.661 213 H GLY 23 H GLY 23 -24.867 -11.951 -4.330 214 HA2 GLY 23 2HA GLY 23 -25.862 -10.025 -3.454 215 HA3 GLY 23 3HA GLY 23 -27.166 -10.196 -4.619 216 HA PRO 24 HA PRO 24 -28.166 -13.219 -0.966 217 HB2 PRO 24 2HB PRO 24 -26.663 -12.922 1.276 218 HB3 PRO 24 3HB PRO 24 -26.235 -14.038 -0.027 219 HG2 PRO 24 2HG PRO 24 -25.187 -11.291 0.534 220 HG3 PRO 24 3HG PRO 24 -24.301 -12.750 0.055 221 HD2 PRO 24 2HD PRO 24 -24.945 -10.794 -1.703 222 HD3 PRO 24 3HD PRO 24 -24.848 -12.504 -2.170 223 H ALA 25 H ALA 25 -28.816 -12.801 1.508 224 HA ALA 25 HA ALA 25 -30.018 -10.128 1.525 225 HB1 ALA 25 1HB ALA 25 -31.680 -11.770 1.725 226 HB2 ALA 25 2HB ALA 25 -30.741 -12.702 2.892 227 HB3 ALA 25 3HB ALA 25 -31.452 -11.158 3.363 228 H VAL 26 H VAL 26 -28.306 -12.381 3.678 229 HA VAL 26 HA VAL 26 -28.135 -10.837 5.954 230 HB VAL 26 HB VAL 26 -25.936 -12.605 4.875 231 HG11 VAL 26 1HG1 VAL 26 -26.085 -12.775 7.660 232 HG12 VAL 26 2HG1 VAL 26 -24.831 -11.985 6.703 233 HG13 VAL 26 3HG1 VAL 26 -26.213 -11.057 7.288 234 HG21 VAL 26 3HG2 VAL 26 -28.385 -13.262 6.504 235 HG22 VAL 26 1HG2 VAL 26 -27.961 -13.872 4.905 236 HG23 VAL 26 2HG2 VAL 26 -27.011 -14.350 6.312 237 H ALA 27 H ALA 27 -26.268 -10.603 2.992 238 HA ALA 27 HA ALA 27 -24.296 -8.814 3.985 239 HB1 ALA 27 1HB ALA 27 -23.833 -10.097 2.013 240 HB2 ALA 27 2HB ALA 27 -25.216 -9.393 1.174 241 HB3 ALA 27 3HB ALA 27 -23.826 -8.387 1.580 242 H VAL 28 H VAL 28 -27.011 -8.204 1.745 243 HA VAL 28 HA VAL 28 -26.852 -5.429 1.762 244 HB VAL 28 HB VAL 28 -28.210 -6.576 0.126 245 HG11 VAL 28 1HG1 VAL 28 -28.979 -8.421 1.536 246 HG12 VAL 28 2HG1 VAL 28 -30.035 -7.312 2.413 247 HG13 VAL 28 3HG1 VAL 28 -30.325 -7.643 0.705 248 HG21 VAL 28 3HG2 VAL 28 -30.317 -5.107 1.604 249 HG22 VAL 28 1HG2 VAL 28 -28.834 -4.229 1.227 250 HG23 VAL 28 2HG2 VAL 28 -29.786 -4.950 -0.071 251 H VAL 29 H VAL 29 -28.462 -7.623 3.988 252 HA VAL 29 HA VAL 29 -29.860 -5.575 5.416 253 HB VAL 29 HB VAL 29 -29.209 -8.410 6.233 254 HG11 VAL 29 1HG1 VAL 29 -31.230 -7.998 7.759 255 HG12 VAL 29 2HG1 VAL 29 -29.680 -7.301 8.235 256 HG13 VAL 29 3HG1 VAL 29 -30.913 -6.285 7.488 257 HG21 VAL 29 3HG2 VAL 29 -31.969 -7.934 5.667 258 HG22 VAL 29 1HG2 VAL 29 -30.994 -7.406 4.296 259 HG23 VAL 29 2HG2 VAL 29 -30.856 -9.060 4.891 260 H GLY 30 H GLY 30 -27.078 -7.642 6.288 261 HA2 GLY 30 2HA GLY 30 -26.450 -6.373 8.693 262 HA3 GLY 30 3HA GLY 30 -25.311 -7.273 7.704 263 H GLN 31 H GLN 31 -25.056 -5.796 5.465 264 HA GLN 31 HA GLN 31 -23.279 -3.782 6.199 265 HB2 GLN 31 2HB GLN 31 -23.637 -5.042 3.929 266 HB3 GLN 31 3HB GLN 31 -24.689 -3.682 3.559 267 HG2 GLN 31 2HG GLN 31 -22.894 -2.597 2.861 268 HG3 GLN 31 3HG GLN 31 -22.368 -2.520 4.542 269 HE21 GLN 31 1HE2 GLN 31 -20.793 -2.681 2.091 270 HE22 GLN 31 2HE2 GLN 31 -19.806 -4.090 2.248 271 H ALA 32 H ALA 32 -26.481 -3.347 4.681 272 HA ALA 32 HA ALA 32 -26.633 -0.590 4.930 273 HB1 ALA 32 1HB ALA 32 -28.928 -2.542 5.073 274 HB2 ALA 32 2HB ALA 32 -29.032 -0.830 4.660 275 HB3 ALA 32 3HB ALA 32 -28.184 -1.946 3.589 276 H ALA 33 H ALA 33 -27.799 -3.080 7.187 277 HA ALA 33 HA ALA 33 -28.898 -1.374 9.103 278 HB1 ALA 33 1HB ALA 33 -28.506 -3.285 10.689 279 HB2 ALA 33 2HB ALA 33 -29.393 -3.692 9.219 280 HB3 ALA 33 3HB ALA 33 -27.688 -4.117 9.366 281 H THR 34 H THR 34 -25.606 -2.667 8.820 282 HA THR 34 HA THR 34 -24.624 -1.495 11.201 283 HB THR 34 HB THR 34 -23.104 -2.350 8.730 284 HG1 THR 34 HG1 THR 34 -23.534 -4.278 9.469 285 HG21 THR 34 3HG2 THR 34 -21.239 -2.599 10.482 286 HG22 THR 34 1HG2 THR 34 -22.218 -1.523 11.479 287 HG23 THR 34 2HG2 THR 34 -21.621 -0.974 9.913 288 H VAL 35 H VAL 35 -24.678 -0.425 7.833 289 HA VAL 35 HA VAL 35 -23.098 1.898 8.222 290 HB VAL 35 HB VAL 35 -25.149 1.320 6.079 291 HG11 VAL 35 1HG1 VAL 35 -23.947 3.034 4.780 292 HG12 VAL 35 2HG1 VAL 35 -24.701 3.697 6.232 293 HG13 VAL 35 3HG1 VAL 35 -22.963 3.395 6.198 294 HG21 VAL 35 3HG2 VAL 35 -23.668 -0.084 5.204 295 HG22 VAL 35 1HG2 VAL 35 -22.461 1.201 5.158 296 HG23 VAL 35 2HG2 VAL 35 -22.605 0.178 6.587 297 H VAL 36 H VAL 36 -26.581 1.294 8.281 298 HA VAL 36 HA VAL 36 -27.295 4.040 8.626 299 HB VAL 36 HB VAL 36 -28.907 1.545 9.181 300 HG11 VAL 36 1HG1 VAL 36 -30.755 3.398 8.672 301 HG12 VAL 36 2HG1 VAL 36 -30.156 3.077 10.300 302 HG13 VAL 36 3HG1 VAL 36 -29.517 4.437 9.376 303 HG21 VAL 36 3HG2 VAL 36 -28.027 2.636 6.747 304 HG22 VAL 36 1HG2 VAL 36 -29.229 1.369 6.990 305 HG23 VAL 36 2HG2 VAL 36 -29.735 3.055 6.886 306 H LYS 37 H LYS 37 -27.048 1.251 10.811 307 HA LYS 37 HA LYS 37 -27.916 2.467 13.154 308 HB2 LYS 37 2HB LYS 37 -26.025 0.208 12.591 309 HB3 LYS 37 3HB LYS 37 -26.262 0.767 14.241 310 HG2 LYS 37 2HG LYS 37 -28.740 0.275 12.757 311 HG3 LYS 37 3HG LYS 37 -27.739 -1.154 13.022 312 HD2 LYS 37 2HD LYS 37 -28.276 -1.229 15.187 313 HD3 LYS 37 3HD LYS 37 -27.924 0.487 15.404 314 HE2 LYS 37 2HE LYS 37 -30.463 -0.516 14.138 315 HE3 LYS 37 3HE LYS 37 -30.304 -0.243 15.872 316 HZ1 LYS 37 3HZ LYS 37 -29.464 2.081 15.062 317 HZ2 LYS 37 1HZ LYS 37 -31.120 1.761 15.197 318 HZ3 LYS 37 2HZ LYS 37 -30.368 1.704 13.683 319 HN1 NH2 38 HN1 NH2 38 -24.178 1.812 13.139 Start of MODEL 14 1 H1 ARG 1 H ARG 1 5.217 -4.995 1.206 2 HA ARG 1 HA ARG 1 4.638 -3.139 -0.415 3 HB2 ARG 1 2HB ARG 1 6.222 -5.287 -0.817 4 HB3 ARG 1 3HB ARG 1 5.040 -5.544 -2.094 5 HG2 ARG 1 2HG ARG 1 6.546 -4.287 -3.232 6 HG3 ARG 1 3HG ARG 1 5.544 -2.993 -2.574 7 HD2 ARG 1 2HD ARG 1 7.233 -3.176 -0.559 8 HD3 ARG 1 3HD ARG 1 8.282 -3.866 -1.797 9 HE ARG 1 HE ARG 1 7.355 -1.582 -2.935 10 HH11 ARG 1 1HH1 ARG 1 8.944 -2.319 0.074 11 HH12 ARG 1 2HH1 ARG 1 9.733 -0.780 0.184 12 HH21 ARG 1 1HH2 ARG 1 8.388 0.447 -2.801 13 HH22 ARG 1 2HH2 ARG 1 9.416 0.793 -1.451 14 H TRP 2 H TRP 2 3.525 -2.770 -2.482 15 HA TRP 2 HA TRP 2 1.577 -2.552 -3.640 16 HB2 TRP 2 2HB TRP 2 1.590 -5.547 -3.224 17 HB3 TRP 2 3HB TRP 2 0.484 -4.708 -4.309 18 HD1 TRP 2 HD1 TRP 2 2.534 -2.705 -5.672 19 HE1 TRP 2 HE1 TRP 2 4.305 -3.615 -7.304 20 HE3 TRP 2 HE3 TRP 2 2.612 -7.584 -4.147 21 HZ2 TRP 2 HZ2 TRP 2 5.567 -6.075 -7.870 22 HZ3 TRP 2 HZ3 TRP 2 4.129 -9.152 -5.286 23 HH2 TRP 2 HH2 TRP 2 5.574 -8.411 -7.109 24 H LYS 3 H LYS 3 1.457 -2.245 -0.752 25 HA LYS 3 HA LYS 3 -0.693 -3.449 0.490 26 HB2 LYS 3 2HB LYS 3 0.831 -1.968 1.674 27 HB3 LYS 3 3HB LYS 3 0.261 -0.591 0.739 28 HG2 LYS 3 2HG LYS 3 -1.391 -0.231 2.167 29 HG3 LYS 3 3HG LYS 3 -1.949 -1.899 2.023 30 HD2 LYS 3 2HD LYS 3 -0.163 -2.548 3.651 31 HD3 LYS 3 3HD LYS 3 0.172 -0.831 3.882 32 HE2 LYS 3 2HE LYS 3 -1.275 -1.447 5.640 33 HE3 LYS 3 3HE LYS 3 -2.274 -0.574 4.480 34 HZ1 LYS 3 3HZ LYS 3 -2.567 -3.216 5.431 35 HZ2 LYS 3 1HZ LYS 3 -2.364 -3.245 3.752 36 HZ3 LYS 3 2HZ LYS 3 -3.606 -2.325 4.437 37 H ILE 4 H ILE 4 -0.941 -0.121 -0.735 38 HA ILE 4 HA ILE 4 -3.696 0.005 -0.826 39 HB ILE 4 HB ILE 4 -2.340 1.995 -1.082 40 HG12 ILE 4 2HG1 ILE 4 -3.785 1.776 -3.702 41 HG13 ILE 4 3HG1 ILE 4 -4.688 1.690 -2.194 42 HG21 ILE 4 1HG2 ILE 4 -1.625 1.047 -3.849 43 HG22 ILE 4 2HG2 ILE 4 -1.029 2.478 -3.010 44 HG23 ILE 4 3HG2 ILE 4 -0.566 0.871 -2.450 45 HD11 ILE 4 3HD1 ILE 4 -3.058 3.970 -3.259 46 HD12 ILE 4 1HD1 ILE 4 -4.780 3.931 -2.879 47 HD13 ILE 4 2HD1 ILE 4 -3.588 3.884 -1.580 48 H PHE 5 H PHE 5 -1.456 -1.207 -3.262 49 HA PHE 5 HA PHE 5 -3.219 -1.467 -5.406 50 HB2 PHE 5 2HB PHE 5 -0.596 -2.521 -4.668 51 HB3 PHE 5 3HB PHE 5 -1.528 -3.642 -5.655 52 HD1 PHE 5 HD2 PHE 5 -2.765 -2.416 -7.706 53 HD2 PHE 5 HD1 PHE 5 0.788 -1.081 -5.778 54 HE1 PHE 5 HE2 PHE 5 -2.148 -1.152 -9.725 55 HE2 PHE 5 HE1 PHE 5 1.409 0.185 -7.794 56 HZ PHE 5 HZ PHE 5 -0.059 0.150 -9.771 57 H LYS 6 H LYS 6 -2.099 -4.192 -3.402 58 HA LYS 6 HA LYS 6 -4.090 -5.975 -4.185 59 HB2 LYS 6 2HB LYS 6 -1.881 -6.055 -2.511 60 HB3 LYS 6 3HB LYS 6 -3.229 -6.366 -1.425 61 HG2 LYS 6 2HG LYS 6 -3.334 -8.460 -2.122 62 HG3 LYS 6 3HG LYS 6 -3.592 -7.919 -3.782 63 HD2 LYS 6 2HD LYS 6 -1.654 -9.055 -4.110 64 HD3 LYS 6 3HD LYS 6 -0.956 -7.512 -3.612 65 HE2 LYS 6 2HE LYS 6 -1.482 -8.896 -1.240 66 HE3 LYS 6 3HE LYS 6 -0.804 -10.095 -2.340 67 HZ1 LYS 6 3HZ LYS 6 1.054 -9.187 -1.350 68 HZ2 LYS 6 1HZ LYS 6 0.423 -7.618 -1.323 69 HZ3 LYS 6 2HZ LYS 6 0.955 -8.290 -2.781 70 H LYS 7 H LYS 7 -4.045 -3.600 -1.588 71 HA LYS 7 HA LYS 7 -6.354 -4.424 -0.228 72 HB2 LYS 7 2HB LYS 7 -4.873 -2.837 0.795 73 HB3 LYS 7 3HB LYS 7 -5.087 -1.700 -0.530 74 HG2 LYS 7 2HG LYS 7 -7.393 -1.338 0.112 75 HG3 LYS 7 3HG LYS 7 -7.246 -2.543 1.394 76 HD2 LYS 7 2HD LYS 7 -5.949 -1.175 2.714 77 HD3 LYS 7 3HD LYS 7 -5.341 -0.248 1.341 78 HE2 LYS 7 2HE LYS 7 -6.794 1.314 2.044 79 HE3 LYS 7 3HE LYS 7 -7.992 0.316 1.221 80 HZ1 LYS 7 3HZ LYS 7 -7.457 0.589 4.092 81 HZ2 LYS 7 1HZ LYS 7 -8.051 -0.888 3.519 82 HZ3 LYS 7 2HZ LYS 7 -8.936 0.531 3.273 83 H ILE 8 H ILE 8 -6.097 -1.618 -2.418 84 HA ILE 8 HA ILE 8 -8.843 -1.239 -2.734 85 HB ILE 8 HB ILE 8 -6.646 -0.563 -4.694 86 HG12 ILE 8 2HG1 ILE 8 -6.327 0.406 -2.439 87 HG13 ILE 8 3HG1 ILE 8 -6.653 1.639 -3.652 88 HG21 ILE 8 1HG2 ILE 8 -8.703 1.307 -4.881 89 HG22 ILE 8 2HG2 ILE 8 -8.290 0.058 -6.055 90 HG23 ILE 8 3HG2 ILE 8 -9.511 -0.259 -4.822 91 HD11 ILE 8 3HD1 ILE 8 -8.349 2.389 -2.458 92 HD12 ILE 8 1HD1 ILE 8 -9.121 0.805 -2.510 93 HD13 ILE 8 2HD1 ILE 8 -7.986 1.190 -1.217 94 H GLU 9 H GLU 9 -6.565 -3.174 -4.626 95 HA GLU 9 HA GLU 9 -8.293 -3.884 -6.713 96 HB2 GLU 9 2HB GLU 9 -5.876 -4.259 -6.806 97 HB3 GLU 9 3HB GLU 9 -6.000 -5.455 -5.523 98 HG2 GLU 9 2HG GLU 9 -7.781 -6.096 -7.691 99 HG3 GLU 9 3HG GLU 9 -6.127 -5.896 -8.268 100 H LYS 10 H LYS 10 -7.524 -5.630 -3.707 101 HA LYS 10 HA LYS 10 -9.342 -7.748 -4.155 102 HB2 LYS 10 2HB LYS 10 -7.493 -7.986 -2.598 103 HB3 LYS 10 3HB LYS 10 -8.138 -6.699 -1.588 104 HG2 LYS 10 2HG LYS 10 -9.296 -8.185 -0.435 105 HG3 LYS 10 3HG LYS 10 -10.170 -8.646 -1.897 106 HD2 LYS 10 2HD LYS 10 -9.251 -10.666 -1.402 107 HD3 LYS 10 3HD LYS 10 -7.912 -9.993 -2.335 108 HE2 LYS 10 2HE LYS 10 -8.153 -9.804 0.664 109 HE3 LYS 10 3HE LYS 10 -7.240 -11.056 -0.178 110 HZ1 LYS 10 3HZ LYS 10 -6.256 -8.828 -1.291 111 HZ2 LYS 10 1HZ LYS 10 -5.561 -9.610 0.039 112 HZ3 LYS 10 2HZ LYS 10 -6.576 -8.279 0.277 113 H VAL 11 H VAL 11 -9.566 -4.967 -1.928 114 HA VAL 11 HA VAL 11 -12.137 -5.366 -1.013 115 HB VAL 11 HB VAL 11 -10.812 -2.710 -1.582 116 HG11 VAL 11 1HG1 VAL 11 -13.336 -3.471 -0.210 117 HG12 VAL 11 2HG1 VAL 11 -12.380 -2.154 0.473 118 HG13 VAL 11 3HG1 VAL 11 -12.963 -2.052 -1.189 119 HG21 VAL 11 3HG2 VAL 11 -10.898 -3.505 1.183 120 HG22 VAL 11 1HG2 VAL 11 -10.086 -4.732 0.210 121 HG23 VAL 11 2HG2 VAL 11 -9.511 -3.065 0.188 122 H GLY 12 H GLY 12 -11.107 -3.549 -3.894 123 HA2 GLY 12 2HA GLY 12 -13.618 -2.647 -4.712 124 HA3 GLY 12 3HA GLY 12 -12.255 -2.936 -5.783 125 H ARG 13 H ARG 13 -12.023 -5.740 -5.305 126 HA ARG 13 HA ARG 13 -14.057 -6.657 -7.112 127 HB2 ARG 13 2HB ARG 13 -11.506 -7.635 -6.081 128 HB3 ARG 13 3HB ARG 13 -12.713 -8.906 -6.226 129 HG2 ARG 13 2HG ARG 13 -12.325 -7.053 -8.518 130 HG3 ARG 13 3HG ARG 13 -11.113 -8.300 -8.218 131 HD2 ARG 13 2HD ARG 13 -12.879 -10.006 -8.271 132 HD3 ARG 13 3HD ARG 13 -14.071 -8.750 -8.604 133 HE ARG 13 HE ARG 13 -12.261 -8.441 -10.595 134 HH11 ARG 13 1HH1 ARG 13 -14.061 -11.165 -9.386 135 HH12 ARG 13 2HH1 ARG 13 -14.136 -11.963 -10.922 136 HH21 ARG 13 1HH2 ARG 13 -12.353 -9.481 -12.622 137 HH22 ARG 13 2HH2 ARG 13 -13.163 -11.005 -12.762 138 H ASN 14 H ASN 14 -13.319 -7.055 -3.693 139 HA ASN 14 HA ASN 14 -15.045 -9.131 -3.054 140 HB2 ASN 14 2HB ASN 14 -13.407 -8.189 -1.478 141 HB3 ASN 14 3HB ASN 14 -14.362 -6.714 -1.366 142 HD21 ASN 14 1HD2 ASN 14 -14.397 -7.156 0.915 143 HD22 ASN 14 2HD2 ASN 14 -15.554 -8.268 1.554 144 H VAL 15 H VAL 15 -15.719 -5.637 -2.778 145 HA VAL 15 HA VAL 15 -18.380 -5.777 -2.064 146 HB VAL 15 HB VAL 15 -17.200 -3.707 -3.921 147 HG11 VAL 15 1HG1 VAL 15 -19.340 -3.025 -3.916 148 HG12 VAL 15 2HG1 VAL 15 -19.749 -3.983 -2.492 149 HG13 VAL 15 3HG1 VAL 15 -18.959 -2.417 -2.306 150 HG21 VAL 15 3HG2 VAL 15 -17.100 -2.540 -1.511 151 HG22 VAL 15 1HG2 VAL 15 -16.831 -4.216 -1.033 152 HG23 VAL 15 2HG2 VAL 15 -15.752 -3.446 -2.197 153 H ARG 16 H ARG 16 -17.184 -5.256 -5.389 154 HA ARG 16 HA ARG 16 -19.592 -5.475 -6.716 155 HB2 ARG 16 2HB ARG 16 -16.753 -5.810 -7.439 156 HB3 ARG 16 3HB ARG 16 -17.892 -6.612 -8.513 157 HG2 ARG 16 2HG ARG 16 -17.790 -4.595 -9.539 158 HG3 ARG 16 3HG ARG 16 -19.090 -4.252 -8.396 159 HD2 ARG 16 2HD ARG 16 -17.744 -2.437 -8.035 160 HD3 ARG 16 3HD ARG 16 -17.089 -3.554 -6.839 161 HE ARG 16 HE ARG 16 -15.572 -4.039 -9.021 162 HH11 ARG 16 1HH1 ARG 16 -16.441 -1.129 -7.319 163 HH12 ARG 16 2HH1 ARG 16 -14.969 -0.305 -7.711 164 HH21 ARG 16 1HH2 ARG 16 -13.629 -2.964 -9.543 165 HH22 ARG 16 2HH2 ARG 16 -13.370 -1.349 -8.977 166 H ASP 17 H ASP 17 -17.226 -8.102 -6.228 167 HA ASP 17 HA ASP 17 -18.680 -10.180 -7.314 168 HB2 ASP 17 2HB ASP 17 -16.319 -10.327 -6.542 169 HB3 ASP 17 3HB ASP 17 -16.895 -10.356 -4.878 170 H GLY 18 H GLY 18 -18.835 -8.860 -4.032 171 HA2 GLY 18 2HA GLY 18 -20.656 -10.796 -3.028 172 HA3 GLY 18 3HA GLY 18 -20.317 -9.227 -2.313 173 H ILE 19 H ILE 19 -21.107 -7.582 -4.447 174 HA ILE 19 HA ILE 19 -23.904 -7.473 -3.992 175 HB ILE 19 HB ILE 19 -22.243 -6.008 -6.045 176 HG12 ILE 19 2HG1 ILE 19 -23.301 -4.852 -3.484 177 HG13 ILE 19 3HG1 ILE 19 -21.793 -5.759 -3.489 178 HG21 ILE 19 1HG2 ILE 19 -24.319 -5.611 -6.873 179 HG22 ILE 19 2HG2 ILE 19 -25.113 -5.915 -5.329 180 HG23 ILE 19 3HG2 ILE 19 -24.305 -4.374 -5.616 181 HD11 ILE 19 3HD1 ILE 19 -22.309 -3.392 -5.265 182 HD12 ILE 19 1HD1 ILE 19 -21.554 -3.281 -3.676 183 HD13 ILE 19 2HD1 ILE 19 -20.773 -4.203 -4.961 184 H ILE 20 H ILE 20 -21.920 -8.615 -6.670 185 HA ILE 20 HA ILE 20 -24.151 -9.086 -8.413 186 HB ILE 20 HB ILE 20 -21.308 -10.092 -8.583 187 HG12 ILE 20 2HG1 ILE 20 -21.539 -7.628 -8.676 188 HG13 ILE 20 3HG1 ILE 20 -20.978 -8.304 -10.201 189 HG21 ILE 20 1HG2 ILE 20 -22.113 -10.193 -11.100 190 HG22 ILE 20 2HG2 ILE 20 -22.357 -11.544 -9.993 191 HG23 ILE 20 3HG2 ILE 20 -23.683 -10.432 -10.332 192 HD11 ILE 20 3HD1 ILE 20 -23.783 -7.415 -9.573 193 HD12 ILE 20 1HD1 ILE 20 -22.613 -6.568 -10.585 194 HD13 ILE 20 2HD1 ILE 20 -23.252 -8.131 -11.094 195 H LYS 21 H LYS 21 -22.028 -11.134 -6.434 196 HA LYS 21 HA LYS 21 -23.011 -13.624 -7.102 197 HB2 LYS 21 2HB LYS 21 -21.812 -12.490 -4.606 198 HB3 LYS 21 3HB LYS 21 -22.467 -14.123 -4.576 199 HG2 LYS 21 2HG LYS 21 -20.747 -13.676 -6.868 200 HG3 LYS 21 3HG LYS 21 -19.920 -13.387 -5.335 201 HD2 LYS 21 2HD LYS 21 -21.541 -15.864 -5.889 202 HD3 LYS 21 3HD LYS 21 -19.811 -15.751 -6.219 203 HE2 LYS 21 2HE LYS 21 -19.852 -14.867 -3.683 204 HE3 LYS 21 3HE LYS 21 -21.252 -15.938 -3.646 205 HZ1 LYS 21 3HZ LYS 21 -19.097 -17.001 -3.042 206 HZ2 LYS 21 1HZ LYS 21 -18.587 -16.775 -4.639 207 HZ3 LYS 21 2HZ LYS 21 -19.919 -17.764 -4.308 208 H ALA 22 H ALA 22 -24.254 -11.347 -4.686 209 HA ALA 22 HA ALA 22 -26.525 -13.102 -4.151 210 HB1 ALA 22 1HB ALA 22 -25.260 -10.818 -2.777 211 HB2 ALA 22 2HB ALA 22 -27.011 -10.956 -2.610 212 HB3 ALA 22 3HB ALA 22 -25.971 -12.292 -2.118 213 H GLY 23 H GLY 23 -26.328 -9.565 -4.555 214 HA2 GLY 23 2HA GLY 23 -27.411 -8.712 -6.679 215 HA3 GLY 23 3HA GLY 23 -28.760 -9.741 -6.220 216 HA PRO 24 HA PRO 24 -30.552 -6.540 -3.830 217 HB2 PRO 24 2HB PRO 24 -31.419 -7.820 -1.598 218 HB3 PRO 24 3HB PRO 24 -32.178 -8.028 -3.181 219 HG2 PRO 24 2HG PRO 24 -30.197 -9.785 -1.785 220 HG3 PRO 24 3HG PRO 24 -31.653 -10.239 -2.689 221 HD2 PRO 24 2HD PRO 24 -29.168 -10.397 -3.754 222 HD3 PRO 24 3HD PRO 24 -30.604 -10.027 -4.730 223 H ALA 25 H ALA 25 -28.370 -5.562 -3.522 224 HA ALA 25 HA ALA 25 -26.747 -6.024 -1.301 225 HB1 ALA 25 1HB ALA 25 -25.942 -4.703 -3.128 226 HB2 ALA 25 2HB ALA 25 -27.203 -3.495 -2.875 227 HB3 ALA 25 3HB ALA 25 -25.926 -3.703 -1.675 228 H VAL 26 H VAL 26 -29.653 -4.082 -1.653 229 HA VAL 26 HA VAL 26 -29.555 -2.545 0.645 230 HB VAL 26 HB VAL 26 -32.020 -3.846 -0.521 231 HG11 VAL 26 1HG1 VAL 26 -31.569 -1.785 1.558 232 HG12 VAL 26 2HG1 VAL 26 -32.898 -1.517 0.428 233 HG13 VAL 26 3HG1 VAL 26 -32.854 -2.983 1.408 234 HG21 VAL 26 3HG2 VAL 26 -30.398 -1.485 -1.331 235 HG22 VAL 26 1HG2 VAL 26 -31.235 -2.677 -2.326 236 HG23 VAL 26 2HG2 VAL 26 -32.150 -1.407 -1.513 237 H ALA 27 H ALA 27 -31.379 -5.600 0.358 238 HA ALA 27 HA ALA 27 -31.902 -5.953 3.055 239 HB1 ALA 27 1HB ALA 27 -32.443 -8.213 2.547 240 HB2 ALA 27 2HB ALA 27 -32.892 -7.242 1.144 241 HB3 ALA 27 3HB ALA 27 -31.413 -8.203 1.115 242 H VAL 28 H VAL 28 -29.131 -7.100 1.158 243 HA VAL 28 HA VAL 28 -27.867 -8.607 3.131 244 HB VAL 28 HB VAL 28 -26.561 -6.979 0.946 245 HG11 VAL 28 1HG1 VAL 28 -24.786 -8.785 1.182 246 HG12 VAL 28 2HG1 VAL 28 -24.860 -7.573 2.462 247 HG13 VAL 28 3HG1 VAL 28 -25.544 -9.178 2.725 248 HG21 VAL 28 3HG2 VAL 28 -26.724 -9.828 0.503 249 HG22 VAL 28 1HG2 VAL 28 -28.325 -9.123 0.728 250 HG23 VAL 28 2HG2 VAL 28 -27.255 -8.498 -0.527 251 H VAL 29 H VAL 29 -26.876 -5.330 2.123 252 HA VAL 29 HA VAL 29 -25.179 -4.807 4.248 253 HB VAL 29 HB VAL 29 -26.877 -2.811 2.743 254 HG11 VAL 29 1HG1 VAL 29 -26.055 -1.314 4.170 255 HG12 VAL 29 2HG1 VAL 29 -24.994 -2.512 4.914 256 HG13 VAL 29 3HG1 VAL 29 -24.466 -1.636 3.477 257 HG21 VAL 29 3HG2 VAL 29 -24.009 -3.544 2.212 258 HG22 VAL 29 1HG2 VAL 29 -25.360 -4.335 1.400 259 HG23 VAL 29 2HG2 VAL 29 -25.103 -2.602 1.199 260 H GLY 30 H GLY 30 -28.628 -3.961 3.940 261 HA2 GLY 30 2HA GLY 30 -28.949 -2.664 6.377 262 HA3 GLY 30 3HA GLY 30 -30.222 -3.536 5.535 263 H GLN 31 H GLN 31 -29.740 -6.079 5.707 264 HA GLN 31 HA GLN 31 -30.364 -6.828 8.293 265 HB2 GLN 31 2HB GLN 31 -30.657 -8.197 6.197 266 HB3 GLN 31 3HB GLN 31 -28.947 -8.594 6.297 267 HG2 GLN 31 2HG GLN 31 -29.833 -9.224 8.803 268 HG3 GLN 31 3HG GLN 31 -31.212 -9.654 7.793 269 HE21 GLN 31 1HE2 GLN 31 -27.694 -10.027 7.967 270 HE22 GLN 31 2HE2 GLN 31 -27.659 -11.635 7.337 271 H ALA 32 H ALA 32 -27.220 -7.313 6.674 272 HA ALA 32 HA ALA 32 -25.795 -8.278 8.833 273 HB1 ALA 32 1HB ALA 32 -24.887 -6.592 6.511 274 HB2 ALA 32 2HB ALA 32 -23.778 -7.321 7.673 275 HB3 ALA 32 3HB ALA 32 -24.809 -8.347 6.675 276 H ALA 33 H ALA 33 -25.914 -4.879 7.746 277 HA ALA 33 HA ALA 33 -24.444 -3.749 9.798 278 HB1 ALA 33 1HB ALA 33 -25.002 -2.426 7.906 279 HB2 ALA 33 2HB ALA 33 -26.731 -2.617 8.201 280 HB3 ALA 33 3HB ALA 33 -25.748 -1.659 9.309 281 H THR 34 H THR 34 -27.925 -4.412 9.675 282 HA THR 34 HA THR 34 -28.570 -3.251 12.162 283 HB THR 34 HB THR 34 -29.979 -5.492 10.699 284 HG1 THR 34 HG1 THR 34 -29.750 -3.402 9.600 285 HG21 THR 34 3HG2 THR 34 -31.914 -4.211 12.068 286 HG22 THR 34 1HG2 THR 34 -30.569 -4.020 13.192 287 HG23 THR 34 2HG2 THR 34 -31.070 -5.632 12.681 288 H VAL 35 H VAL 35 -27.672 -6.551 11.245 289 HA VAL 35 HA VAL 35 -28.054 -7.689 13.814 290 HB VAL 35 HB VAL 35 -26.277 -8.634 11.559 291 HG11 VAL 35 1HG1 VAL 35 -26.951 -9.750 14.214 292 HG12 VAL 35 2HG1 VAL 35 -26.945 -10.875 12.855 293 HG13 VAL 35 3HG1 VAL 35 -25.496 -9.944 13.237 294 HG21 VAL 35 3HG2 VAL 35 -28.612 -10.211 11.872 295 HG22 VAL 35 1HG2 VAL 35 -29.108 -8.519 11.800 296 HG23 VAL 35 2HG2 VAL 35 -28.141 -9.211 10.498 297 H VAL 36 H VAL 36 -25.285 -6.224 12.196 298 HA VAL 36 HA VAL 36 -23.405 -6.899 14.240 299 HB VAL 36 HB VAL 36 -23.213 -4.750 12.124 300 HG11 VAL 36 1HG1 VAL 36 -21.516 -4.195 13.560 301 HG12 VAL 36 2HG1 VAL 36 -21.299 -5.854 14.121 302 HG13 VAL 36 3HG1 VAL 36 -20.692 -5.371 12.537 303 HG21 VAL 36 3HG2 VAL 36 -22.849 -6.343 10.617 304 HG22 VAL 36 1HG2 VAL 36 -21.606 -7.073 11.633 305 HG23 VAL 36 2HG2 VAL 36 -23.294 -7.543 11.830 306 H LYS 37 H LYS 37 -24.854 -3.784 13.271 307 HA LYS 37 HA LYS 37 -23.878 -2.256 15.377 308 HB2 LYS 37 2HB LYS 37 -24.965 -1.308 13.384 309 HB3 LYS 37 3HB LYS 37 -26.513 -1.944 13.924 310 HG2 LYS 37 2HG LYS 37 -26.860 -0.215 15.276 311 HG3 LYS 37 3HG LYS 37 -25.234 -0.316 15.953 312 HD2 LYS 37 2HD LYS 37 -24.441 0.776 13.792 313 HD3 LYS 37 3HD LYS 37 -26.141 1.132 13.478 314 HE2 LYS 37 2HE LYS 37 -26.060 2.891 14.832 315 HE3 LYS 37 3HE LYS 37 -25.494 1.881 16.162 316 HZ1 LYS 37 3HZ LYS 37 -23.999 3.769 15.488 317 HZ2 LYS 37 1HZ LYS 37 -23.679 2.916 14.063 318 HZ3 LYS 37 2HZ LYS 37 -23.264 2.247 15.560 319 HN1 NH2 38 HN1 NH2 38 -27.579 -3.260 15.492 Start of MODEL 15 1 H1 ARG 1 H ARG 1 4.186 -2.284 -0.785 2 HA ARG 1 HA ARG 1 2.650 -0.350 -1.341 3 HB2 ARG 1 2HB ARG 1 4.856 0.008 -3.373 4 HB3 ARG 1 3HB ARG 1 3.284 0.787 -3.491 5 HG2 ARG 1 2HG ARG 1 3.848 1.658 -1.100 6 HG3 ARG 1 3HG ARG 1 5.508 1.292 -1.574 7 HD2 ARG 1 2HD ARG 1 3.940 2.762 -3.576 8 HD3 ARG 1 3HD ARG 1 4.236 3.639 -2.076 9 HE ARG 1 HE ARG 1 6.158 2.976 -4.099 10 HH11 ARG 1 1HH1 ARG 1 5.706 3.689 -0.722 11 HH12 ARG 1 2HH1 ARG 1 7.329 4.248 -0.489 12 HH21 ARG 1 1HH2 ARG 1 8.297 3.710 -3.806 13 HH22 ARG 1 2HH2 ARG 1 8.802 4.261 -2.244 14 H TRP 2 H TRP 2 1.932 -2.737 -1.423 15 HA TRP 2 HA TRP 2 0.747 -3.179 -3.972 16 HB2 TRP 2 2HB TRP 2 3.235 -4.131 -3.999 17 HB3 TRP 2 3HB TRP 2 2.457 -5.496 -3.204 18 HD1 TRP 2 HD1 TRP 2 0.294 -6.575 -4.642 19 HE1 TRP 2 HE1 TRP 2 0.103 -6.931 -7.184 20 HE3 TRP 2 HE3 TRP 2 3.910 -3.310 -6.193 21 HZ2 TRP 2 HZ2 TRP 2 1.324 -5.958 -9.535 22 HZ3 TRP 2 HZ3 TRP 2 4.337 -3.083 -8.605 23 HH2 TRP 2 HH2 TRP 2 3.070 -4.380 -10.240 24 H LYS 3 H LYS 3 1.682 -4.690 -0.902 25 HA LYS 3 HA LYS 3 -0.274 -6.628 -0.702 26 HB2 LYS 3 2HB LYS 3 1.536 -5.273 1.095 27 HB3 LYS 3 3HB LYS 3 -0.009 -5.562 1.885 28 HG2 LYS 3 2HG LYS 3 0.168 -7.951 1.233 29 HG3 LYS 3 3HG LYS 3 1.783 -7.615 0.607 30 HD2 LYS 3 2HD LYS 3 2.679 -7.688 2.649 31 HD3 LYS 3 3HD LYS 3 1.447 -6.606 3.301 32 HE2 LYS 3 2HE LYS 3 1.025 -9.550 2.814 33 HE3 LYS 3 3HE LYS 3 1.515 -8.868 4.363 34 HZ1 LYS 3 3HZ LYS 3 -0.518 -7.689 4.529 35 HZ2 LYS 3 1HZ LYS 3 -0.916 -9.281 4.115 36 HZ3 LYS 3 2HZ LYS 3 -0.959 -8.065 2.939 37 H ILE 4 H ILE 4 -0.468 -3.405 0.823 38 HA ILE 4 HA ILE 4 -3.135 -3.533 1.572 39 HB ILE 4 HB ILE 4 -1.608 -1.066 0.734 40 HG12 ILE 4 2HG1 ILE 4 -1.921 -1.389 3.569 41 HG13 ILE 4 3HG1 ILE 4 -1.192 -2.843 2.898 42 HG21 ILE 4 1HG2 ILE 4 -3.303 -0.191 2.604 43 HG22 ILE 4 2HG2 ILE 4 -3.699 -0.208 0.886 44 HG23 ILE 4 3HG2 ILE 4 -4.274 -1.502 1.936 45 HD11 ILE 4 3HD1 ILE 4 0.749 -1.820 2.494 46 HD12 ILE 4 1HD1 ILE 4 -0.031 -0.353 1.903 47 HD13 ILE 4 2HD1 ILE 4 0.163 -0.613 3.637 48 H PHE 5 H PHE 5 -1.753 -2.134 -1.397 49 HA PHE 5 HA PHE 5 -4.080 -1.258 -2.598 50 HB2 PHE 5 2HB PHE 5 -1.566 -2.400 -3.819 51 HB3 PHE 5 3HB PHE 5 -2.857 -1.686 -4.779 52 HD1 PHE 5 HD1 PHE 5 -3.650 0.635 -3.260 53 HD2 PHE 5 HD2 PHE 5 0.237 -0.973 -3.906 54 HE1 PHE 5 HE1 PHE 5 -2.674 2.867 -2.916 55 HE2 PHE 5 HE2 PHE 5 1.220 1.256 -3.562 56 HZ PHE 5 HZ PHE 5 -0.235 3.180 -3.066 57 H LYS 6 H LYS 6 -2.466 -4.339 -3.392 58 HA LYS 6 HA LYS 6 -4.520 -5.450 -4.877 59 HB2 LYS 6 2HB LYS 6 -2.068 -6.269 -4.345 60 HB3 LYS 6 3HB LYS 6 -2.882 -7.218 -3.108 61 HG2 LYS 6 2HG LYS 6 -4.429 -7.778 -5.246 62 HG3 LYS 6 3HG LYS 6 -2.867 -7.529 -6.030 63 HD2 LYS 6 2HD LYS 6 -2.244 -9.567 -5.400 64 HD3 LYS 6 3HD LYS 6 -2.412 -9.086 -3.710 65 HE2 LYS 6 2HE LYS 6 -4.597 -9.897 -3.575 66 HE3 LYS 6 3HE LYS 6 -4.794 -9.922 -5.326 67 HZ1 LYS 6 3HZ LYS 6 -2.993 -11.715 -3.790 68 HZ2 LYS 6 1HZ LYS 6 -3.259 -11.761 -5.460 69 HZ3 LYS 6 2HZ LYS 6 -4.513 -12.148 -4.393 70 H LYS 7 H LYS 7 -3.931 -5.695 -1.387 71 HA LYS 7 HA LYS 7 -5.981 -7.458 -0.733 72 HB2 LYS 7 2HB LYS 7 -4.272 -6.826 0.872 73 HB3 LYS 7 3HB LYS 7 -4.842 -5.162 0.871 74 HG2 LYS 7 2HG LYS 7 -6.299 -5.612 2.473 75 HG3 LYS 7 3HG LYS 7 -7.008 -6.917 1.520 76 HD2 LYS 7 2HD LYS 7 -4.793 -8.162 2.329 77 HD3 LYS 7 3HD LYS 7 -4.959 -7.017 3.663 78 HE2 LYS 7 2HE LYS 7 -6.355 -8.520 4.553 79 HE3 LYS 7 3HE LYS 7 -7.518 -7.954 3.355 80 HZ1 LYS 7 3HZ LYS 7 -7.434 -10.292 3.182 81 HZ2 LYS 7 1HZ LYS 7 -5.743 -10.320 3.175 82 HZ3 LYS 7 2HZ LYS 7 -6.583 -9.701 1.845 83 H ILE 8 H ILE 8 -6.118 -3.931 -0.216 84 HA ILE 8 HA ILE 8 -8.834 -3.740 0.251 85 HB ILE 8 HB ILE 8 -7.091 -1.690 -1.121 86 HG12 ILE 8 2HG1 ILE 8 -6.213 -2.407 1.063 87 HG13 ILE 8 3HG1 ILE 8 -6.795 -0.747 1.120 88 HG21 ILE 8 1HG2 ILE 8 -8.800 -0.126 -0.004 89 HG22 ILE 8 2HG2 ILE 8 -9.273 -0.964 -1.481 90 HG23 ILE 8 3HG2 ILE 8 -9.830 -1.554 0.085 91 HD11 ILE 8 3HD1 ILE 8 -8.185 -3.191 2.183 92 HD12 ILE 8 1HD1 ILE 8 -7.462 -1.880 3.115 93 HD13 ILE 8 2HD1 ILE 8 -8.896 -1.578 2.133 94 H GLU 9 H GLU 9 -7.109 -3.624 -2.839 95 HA GLU 9 HA GLU 9 -9.280 -2.976 -4.480 96 HB2 GLU 9 2HB GLU 9 -6.688 -4.412 -4.951 97 HB3 GLU 9 3HB GLU 9 -7.881 -4.296 -6.237 98 HG2 GLU 9 2HG GLU 9 -7.791 -1.894 -6.174 99 HG3 GLU 9 3HG GLU 9 -6.716 -1.937 -4.778 100 H LYS 10 H LYS 10 -8.000 -6.148 -3.523 101 HA LYS 10 HA LYS 10 -9.923 -7.650 -4.973 102 HB2 LYS 10 2HB LYS 10 -7.643 -8.409 -4.036 103 HB3 LYS 10 3HB LYS 10 -8.496 -8.638 -2.515 104 HG2 LYS 10 2HG LYS 10 -10.138 -10.012 -4.079 105 HG3 LYS 10 3HG LYS 10 -8.667 -10.174 -5.042 106 HD2 LYS 10 2HD LYS 10 -8.276 -10.636 -2.177 107 HD3 LYS 10 3HD LYS 10 -9.372 -11.786 -2.947 108 HE2 LYS 10 2HE LYS 10 -7.651 -12.216 -4.667 109 HE3 LYS 10 3HE LYS 10 -6.557 -11.129 -3.813 110 HZ1 LYS 10 3HZ LYS 10 -7.582 -13.759 -2.941 111 HZ2 LYS 10 1HZ LYS 10 -6.948 -12.651 -1.831 112 HZ3 LYS 10 2HZ LYS 10 -5.976 -13.245 -3.081 113 H VAL 11 H VAL 11 -9.589 -7.118 -1.458 114 HA VAL 11 HA VAL 11 -11.959 -8.270 -0.641 115 HB VAL 11 HB VAL 11 -10.637 -5.824 0.544 116 HG11 VAL 11 1HG1 VAL 11 -12.689 -7.730 1.653 117 HG12 VAL 11 2HG1 VAL 11 -11.748 -6.617 2.648 118 HG13 VAL 11 3HG1 VAL 11 -12.847 -5.989 1.419 119 HG21 VAL 11 3HG2 VAL 11 -9.104 -7.702 0.389 120 HG22 VAL 11 1HG2 VAL 11 -9.567 -7.430 2.069 121 HG23 VAL 11 2HG2 VAL 11 -10.288 -8.758 1.159 122 H GLY 12 H GLY 12 -11.413 -5.096 -2.039 123 HA2 GLY 12 2HA GLY 12 -14.023 -4.080 -1.454 124 HA3 GLY 12 3HA GLY 12 -12.865 -3.388 -2.581 125 H ARG 13 H ARG 13 -12.587 -5.778 -4.181 126 HA ARG 13 HA ARG 13 -14.888 -5.394 -5.868 127 HB2 ARG 13 2HB ARG 13 -12.357 -7.002 -6.106 128 HB3 ARG 13 3HB ARG 13 -13.662 -7.176 -7.272 129 HG2 ARG 13 2HG ARG 13 -12.947 -4.400 -6.803 130 HG3 ARG 13 3HG ARG 13 -11.597 -5.368 -7.399 131 HD2 ARG 13 2HD ARG 13 -12.653 -5.858 -9.387 132 HD3 ARG 13 3HD ARG 13 -14.263 -5.614 -8.713 133 HE ARG 13 HE ARG 13 -14.112 -3.384 -9.230 134 HH11 ARG 13 1HH1 ARG 13 -10.967 -4.854 -9.499 135 HH12 ARG 13 2HH1 ARG 13 -10.237 -3.465 -10.234 136 HH21 ARG 13 1HH2 ARG 13 -13.162 -1.550 -10.198 137 HH22 ARG 13 2HH2 ARG 13 -11.486 -1.586 -10.630 138 H ASN 14 H ASN 14 -13.688 -7.854 -3.688 139 HA ASN 14 HA ASN 14 -15.207 -10.040 -4.470 140 HB2 ASN 14 2HB ASN 14 -13.391 -9.897 -2.663 141 HB3 ASN 14 3HB ASN 14 -14.675 -9.372 -1.579 142 HD21 ASN 14 1HD2 ASN 14 -13.453 -11.998 -3.517 143 HD22 ASN 14 2HD2 ASN 14 -14.382 -13.246 -2.765 144 H VAL 15 H VAL 15 -16.026 -7.674 -1.925 145 HA VAL 15 HA VAL 15 -18.563 -8.569 -1.318 146 HB VAL 15 HB VAL 15 -17.741 -5.665 -1.427 147 HG11 VAL 15 1HG1 VAL 15 -19.845 -5.344 -0.761 148 HG12 VAL 15 2HG1 VAL 15 -20.106 -7.068 -0.488 149 HG13 VAL 15 3HG1 VAL 15 -19.362 -6.077 0.768 150 HG21 VAL 15 3HG2 VAL 15 -17.239 -7.788 0.644 151 HG22 VAL 15 1HG2 VAL 15 -16.065 -6.755 -0.170 152 HG23 VAL 15 2HG2 VAL 15 -17.177 -6.064 1.011 153 H ARG 16 H ARG 16 -17.830 -5.878 -3.548 154 HA ARG 16 HA ARG 16 -20.372 -5.483 -4.542 155 HB2 ARG 16 2HB ARG 16 -17.810 -4.540 -5.126 156 HB3 ARG 16 3HB ARG 16 -18.387 -5.220 -6.641 157 HG2 ARG 16 2HG ARG 16 -20.370 -3.819 -6.538 158 HG3 ARG 16 3HG ARG 16 -19.837 -3.161 -4.990 159 HD2 ARG 16 2HD ARG 16 -18.214 -1.873 -5.939 160 HD3 ARG 16 3HD ARG 16 -17.950 -2.997 -7.272 161 HE ARG 16 HE ARG 16 -19.439 -1.789 -8.501 162 HH11 ARG 16 1HH1 ARG 16 -20.009 -1.144 -5.128 163 HH12 ARG 16 2HH1 ARG 16 -21.210 0.068 -5.429 164 HH21 ARG 16 1HH2 ARG 16 -21.019 -0.195 -8.910 165 HH22 ARG 16 2HH2 ARG 16 -21.784 0.607 -7.581 166 H ASP 17 H ASP 17 -17.825 -7.481 -6.045 167 HA ASP 17 HA ASP 17 -19.291 -8.522 -8.137 168 HB2 ASP 17 2HB ASP 17 -16.816 -8.823 -7.678 169 HB3 ASP 17 3HB ASP 17 -17.264 -10.113 -6.565 170 H GLY 18 H GLY 18 -19.099 -9.672 -4.794 171 HA2 GLY 18 2HA GLY 18 -20.671 -12.003 -5.201 172 HA3 GLY 18 3HA GLY 18 -20.328 -11.244 -3.653 173 H ILE 19 H ILE 19 -21.470 -8.723 -4.130 174 HA ILE 19 HA ILE 19 -24.189 -9.283 -3.545 175 HB ILE 19 HB ILE 19 -22.883 -6.646 -4.227 176 HG12 ILE 19 2HG1 ILE 19 -23.667 -7.564 -1.478 177 HG13 ILE 19 3HG1 ILE 19 -22.126 -8.057 -2.169 178 HG21 ILE 19 1HG2 ILE 19 -25.643 -7.397 -3.528 179 HG22 ILE 19 2HG2 ILE 19 -24.983 -6.010 -2.663 180 HG23 ILE 19 3HG2 ILE 19 -25.036 -6.006 -4.426 181 HD11 ILE 19 3HD1 ILE 19 -22.192 -5.983 -0.672 182 HD12 ILE 19 1HD1 ILE 19 -21.307 -5.887 -2.194 183 HD13 ILE 19 2HD1 ILE 19 -22.916 -5.176 -2.063 184 H ILE 20 H ILE 20 -22.503 -8.165 -6.429 185 HA ILE 20 HA ILE 20 -24.909 -7.667 -7.912 186 HB ILE 20 HB ILE 20 -22.060 -7.961 -8.874 187 HG12 ILE 20 2HG1 ILE 20 -22.433 -6.075 -7.312 188 HG13 ILE 20 3HG1 ILE 20 -22.036 -5.527 -8.937 189 HG21 ILE 20 1HG2 ILE 20 -24.610 -7.271 -10.266 190 HG22 ILE 20 2HG2 ILE 20 -23.091 -6.566 -10.815 191 HG23 ILE 20 3HG2 ILE 20 -23.292 -8.318 -10.792 192 HD11 ILE 20 3HD1 ILE 20 -24.265 -4.851 -7.340 193 HD12 ILE 20 1HD1 ILE 20 -23.866 -4.297 -8.965 194 HD13 ILE 20 2HD1 ILE 20 -24.856 -5.740 -8.744 195 H LYS 21 H LYS 21 -22.443 -10.223 -7.903 196 HA LYS 21 HA LYS 21 -23.371 -11.786 -9.979 197 HB2 LYS 21 2HB LYS 21 -21.923 -12.401 -7.433 198 HB3 LYS 21 3HB LYS 21 -22.478 -13.728 -8.445 199 HG2 LYS 21 2HG LYS 21 -21.082 -11.673 -9.954 200 HG3 LYS 21 3HG LYS 21 -20.089 -12.394 -8.685 201 HD2 LYS 21 2HD LYS 21 -20.335 -14.558 -9.578 202 HD3 LYS 21 3HD LYS 21 -21.681 -14.067 -10.610 203 HE2 LYS 21 2HE LYS 21 -19.888 -14.220 -12.087 204 HE3 LYS 21 3HE LYS 21 -19.976 -12.497 -11.724 205 HZ1 LYS 21 3HZ LYS 21 -17.797 -14.188 -11.405 206 HZ2 LYS 21 1HZ LYS 21 -18.305 -13.768 -9.847 207 HZ3 LYS 21 2HZ LYS 21 -17.914 -12.560 -10.963 208 H ALA 22 H ALA 22 -23.989 -12.636 -6.576 209 HA ALA 22 HA ALA 22 -26.512 -13.869 -7.412 210 HB1 ALA 22 1HB ALA 22 -25.787 -14.255 -4.629 211 HB2 ALA 22 2HB ALA 22 -26.119 -15.446 -5.888 212 HB3 ALA 22 3HB ALA 22 -24.504 -14.754 -5.731 213 H GLY 23 H GLY 23 -25.375 -12.065 -4.542 214 HA2 GLY 23 2HA GLY 23 -26.343 -10.057 -3.738 215 HA3 GLY 23 3HA GLY 23 -27.766 -10.380 -4.717 216 HA PRO 24 HA PRO 24 -28.095 -13.226 -0.808 217 HB2 PRO 24 2HB PRO 24 -26.351 -12.698 1.204 218 HB3 PRO 24 3HB PRO 24 -26.012 -13.865 -0.080 219 HG2 PRO 24 2HG PRO 24 -25.093 -11.029 0.194 220 HG3 PRO 24 3HG PRO 24 -24.175 -12.458 -0.315 221 HD2 PRO 24 2HD PRO 24 -25.164 -10.658 -2.079 222 HD3 PRO 24 3HD PRO 24 -25.009 -12.384 -2.462 223 H ALA 25 H ALA 25 -28.725 -12.777 1.557 224 HA ALA 25 HA ALA 25 -29.949 -10.126 1.640 225 HB1 ALA 25 1HB ALA 25 -31.626 -11.601 2.091 226 HB2 ALA 25 2HB ALA 25 -30.550 -12.756 2.880 227 HB3 ALA 25 3HB ALA 25 -31.061 -11.301 3.735 228 H VAL 26 H VAL 26 -27.895 -12.240 3.605 229 HA VAL 26 HA VAL 26 -27.643 -10.719 5.892 230 HB VAL 26 HB VAL 26 -25.341 -11.710 6.105 231 HG11 VAL 26 1HG1 VAL 26 -26.164 -14.053 6.245 232 HG12 VAL 26 2HG1 VAL 26 -27.230 -12.879 7.019 233 HG13 VAL 26 3HG1 VAL 26 -27.643 -13.538 5.435 234 HG21 VAL 26 3HG2 VAL 26 -26.045 -12.816 3.392 235 HG22 VAL 26 1HG2 VAL 26 -24.653 -11.823 3.825 236 HG23 VAL 26 2HG2 VAL 26 -24.775 -13.479 4.421 237 H ALA 27 H ALA 27 -25.908 -10.391 2.828 238 HA ALA 27 HA ALA 27 -24.128 -8.364 3.695 239 HB1 ALA 27 1HB ALA 27 -23.665 -9.711 1.726 240 HB2 ALA 27 2HB ALA 27 -25.074 -9.032 0.910 241 HB3 ALA 27 3HB ALA 27 -23.702 -7.998 1.308 242 H VAL 28 H VAL 28 -27.068 -8.169 1.679 243 HA VAL 28 HA VAL 28 -27.194 -5.401 1.471 244 HB VAL 28 HB VAL 28 -29.509 -7.340 1.577 245 HG11 VAL 28 1HG1 VAL 28 -29.319 -4.438 1.042 246 HG12 VAL 28 2HG1 VAL 28 -30.367 -5.377 -0.023 247 HG13 VAL 28 3HG1 VAL 28 -30.644 -5.384 1.719 248 HG21 VAL 28 3HG2 VAL 28 -27.693 -7.742 -0.148 249 HG22 VAL 28 1HG2 VAL 28 -29.331 -7.537 -0.768 250 HG23 VAL 28 2HG2 VAL 28 -28.176 -6.208 -0.871 251 H VAL 29 H VAL 29 -28.368 -7.537 4.015 252 HA VAL 29 HA VAL 29 -29.749 -5.483 5.451 253 HB VAL 29 HB VAL 29 -28.814 -8.199 6.389 254 HG11 VAL 29 1HG1 VAL 29 -30.684 -7.827 8.085 255 HG12 VAL 29 2HG1 VAL 29 -29.181 -6.936 8.333 256 HG13 VAL 29 3HG1 VAL 29 -30.586 -6.123 7.642 257 HG21 VAL 29 3HG2 VAL 29 -30.545 -9.078 5.305 258 HG22 VAL 29 1HG2 VAL 29 -31.651 -7.919 6.043 259 HG23 VAL 29 2HG2 VAL 29 -30.814 -7.509 4.546 260 H GLY 30 H GLY 30 -26.784 -7.332 6.204 261 HA2 GLY 30 2HA GLY 30 -25.983 -5.869 8.421 262 HA3 GLY 30 3HA GLY 30 -24.889 -6.734 7.352 263 H GLN 31 H GLN 31 -25.120 -5.324 5.014 264 HA GLN 31 HA GLN 31 -23.373 -3.193 5.399 265 HB2 GLN 31 2HB GLN 31 -23.805 -4.451 3.252 266 HB3 GLN 31 3HB GLN 31 -25.259 -3.481 3.060 267 HG2 GLN 31 2HG GLN 31 -23.212 -1.650 3.543 268 HG3 GLN 31 3HG GLN 31 -22.530 -2.838 2.434 269 HE21 GLN 31 1HE2 GLN 31 -22.469 -1.498 0.677 270 HE22 GLN 31 2HE2 GLN 31 -23.886 -0.923 -0.127 271 H ALA 32 H ALA 32 -26.754 -2.897 4.295 272 HA ALA 32 HA ALA 32 -27.003 -0.162 4.623 273 HB1 ALA 32 1HB ALA 32 -28.970 -2.409 4.634 274 HB2 ALA 32 2HB ALA 32 -29.507 -0.770 5.002 275 HB3 ALA 32 3HB ALA 32 -28.743 -1.119 3.452 276 H ALA 33 H ALA 33 -27.618 -2.740 6.977 277 HA ALA 33 HA ALA 33 -28.646 -1.156 9.040 278 HB1 ALA 33 1HB ALA 33 -27.000 -3.666 9.332 279 HB2 ALA 33 2HB ALA 33 -28.121 -2.992 10.516 280 HB3 ALA 33 3HB ALA 33 -28.729 -3.625 8.987 281 H THR 34 H THR 34 -25.298 -2.158 8.383 282 HA THR 34 HA THR 34 -24.175 -0.805 10.606 283 HB THR 34 HB THR 34 -22.004 -1.116 9.456 284 HG1 THR 34 HG1 THR 34 -22.028 -2.194 7.423 285 HG21 THR 34 3HG2 THR 34 -22.093 -3.127 10.410 286 HG22 THR 34 1HG2 THR 34 -22.835 -3.762 8.942 287 HG23 THR 34 2HG2 THR 34 -23.849 -3.158 10.253 288 H VAL 35 H VAL 35 -24.750 0.104 7.251 289 HA VAL 35 HA VAL 35 -23.287 2.534 7.319 290 HB VAL 35 HB VAL 35 -25.583 1.736 5.523 291 HG11 VAL 35 1HG1 VAL 35 -24.429 3.444 3.992 292 HG12 VAL 35 2HG1 VAL 35 -25.425 4.057 5.313 293 HG13 VAL 35 3HG1 VAL 35 -23.667 4.044 5.464 294 HG21 VAL 35 3HG2 VAL 35 -23.067 0.614 5.703 295 HG22 VAL 35 1HG2 VAL 35 -24.153 0.519 4.317 296 HG23 VAL 35 2HG2 VAL 35 -22.910 1.769 4.380 297 H VAL 36 H VAL 36 -26.689 1.732 7.875 298 HA VAL 36 HA VAL 36 -27.491 4.454 8.267 299 HB VAL 36 HB VAL 36 -28.910 1.894 9.018 300 HG11 VAL 36 1HG1 VAL 36 -30.014 3.447 10.298 301 HG12 VAL 36 2HG1 VAL 36 -29.678 4.770 9.179 302 HG13 VAL 36 3HG1 VAL 36 -30.913 3.573 8.786 303 HG21 VAL 36 3HG2 VAL 36 -29.579 1.708 6.898 304 HG22 VAL 36 1HG2 VAL 36 -29.998 3.419 6.806 305 HG23 VAL 36 2HG2 VAL 36 -28.341 2.899 6.497 306 H LYS 37 H LYS 37 -26.917 1.693 10.432 307 HA LYS 37 HA LYS 37 -27.313 3.296 12.794 308 HB2 LYS 37 2HB LYS 37 -27.854 0.837 12.617 309 HB3 LYS 37 3HB LYS 37 -26.123 0.526 12.618 310 HG2 LYS 37 2HG LYS 37 -25.937 0.860 14.826 311 HG3 LYS 37 3HG LYS 37 -27.063 2.220 14.819 312 HD2 LYS 37 2HD LYS 37 -28.867 0.900 15.222 313 HD3 LYS 37 3HD LYS 37 -28.210 -0.462 14.312 314 HE2 LYS 37 2HE LYS 37 -26.492 -0.566 16.278 315 HE3 LYS 37 3HE LYS 37 -27.727 0.341 17.149 316 HZ1 LYS 37 3HZ LYS 37 -28.987 -1.777 15.843 317 HZ2 LYS 37 1HZ LYS 37 -28.789 -1.550 17.508 318 HZ3 LYS 37 2HZ LYS 37 -27.631 -2.413 16.629 319 HN1 NH2 38 HN1 NH2 38 -24.181 1.189 12.640 Start of MODEL 16 1 H1 ARG 1 H ARG 1 2.596 -5.236 -1.363 2 HA ARG 1 HA ARG 1 -0.263 -5.894 -1.598 3 HB2 ARG 1 2HB ARG 1 1.384 -6.413 0.877 4 HB3 ARG 1 3HB ARG 1 -0.270 -6.917 0.562 5 HG2 ARG 1 2HG ARG 1 1.022 -8.100 -1.501 6 HG3 ARG 1 3HG ARG 1 2.266 -8.143 -0.249 7 HD2 ARG 1 2HD ARG 1 -0.533 -9.248 -0.084 8 HD3 ARG 1 3HD ARG 1 0.974 -10.163 -0.123 9 HE ARG 1 HE ARG 1 1.182 -8.535 2.072 10 HH11 ARG 1 1HH1 ARG 1 -1.051 -10.969 0.974 11 HH12 ARG 1 2HH1 ARG 1 -1.490 -11.474 2.572 12 HH21 ARG 1 1HH2 ARG 1 0.613 -9.191 4.182 13 HH22 ARG 1 2HH2 ARG 1 -0.543 -10.461 4.396 14 H TRP 2 H TRP 2 -0.747 -3.693 -1.871 15 HA TRP 2 HA TRP 2 -0.022 -1.865 0.290 16 HB2 TRP 2 2HB TRP 2 -0.887 -1.578 -2.516 17 HB3 TRP 2 3HB TRP 2 -1.544 -0.375 -1.409 18 HD1 TRP 2 HD1 TRP 2 2.030 -1.892 -1.657 19 HE1 TRP 2 HE1 TRP 2 3.704 0.060 -1.770 20 HE3 TRP 2 HE3 TRP 2 -1.271 2.011 -1.621 21 HZ2 TRP 2 HZ2 TRP 2 3.634 2.881 -1.835 22 HZ3 TRP 2 HZ3 TRP 2 -0.386 4.305 -1.710 23 HH2 TRP 2 HH2 TRP 2 2.016 4.729 -1.814 24 H LYS 3 H LYS 3 -1.433 -1.067 1.754 25 HA LYS 3 HA LYS 3 -3.736 -2.443 2.436 26 HB2 LYS 3 2HB LYS 3 -2.350 -0.738 3.797 27 HB3 LYS 3 3HB LYS 3 -3.390 0.477 3.067 28 HG2 LYS 3 2HG LYS 3 -5.353 -0.742 3.988 29 HG3 LYS 3 3HG LYS 3 -4.231 -1.810 4.833 30 HD2 LYS 3 2HD LYS 3 -3.862 1.113 5.184 31 HD3 LYS 3 3HD LYS 3 -5.260 0.371 5.967 32 HE2 LYS 3 2HE LYS 3 -2.841 -1.188 6.334 33 HE3 LYS 3 3HE LYS 3 -2.665 0.458 6.940 34 HZ1 LYS 3 3HZ LYS 3 -3.675 -1.452 8.412 35 HZ2 LYS 3 1HZ LYS 3 -5.106 -0.997 7.632 36 HZ3 LYS 3 2HZ LYS 3 -4.234 0.140 8.532 37 H ILE 4 H ILE 4 -3.644 0.836 1.026 38 HA ILE 4 HA ILE 4 -6.359 1.076 0.512 39 HB ILE 4 HB ILE 4 -4.097 2.252 -1.108 40 HG12 ILE 4 2HG1 ILE 4 -5.637 3.513 1.165 41 HG13 ILE 4 3HG1 ILE 4 -4.084 2.711 1.379 42 HG21 ILE 4 1HG2 ILE 4 -7.031 2.874 -0.960 43 HG22 ILE 4 2HG2 ILE 4 -5.849 4.051 -1.530 44 HG23 ILE 4 3HG2 ILE 4 -6.051 2.520 -2.383 45 HD11 ILE 4 3HD1 ILE 4 -3.169 4.325 -0.333 46 HD12 ILE 4 1HD1 ILE 4 -4.685 5.210 -0.167 47 HD13 ILE 4 2HD1 ILE 4 -3.623 5.008 1.228 48 H PHE 5 H PHE 5 -3.800 0.011 -1.729 49 HA PHE 5 HA PHE 5 -5.353 -0.502 -3.951 50 HB2 PHE 5 2HB PHE 5 -2.711 -0.901 -3.258 51 HB3 PHE 5 3HB PHE 5 -3.298 -2.540 -3.522 52 HD1 PHE 5 HD2 PHE 5 -4.960 -2.592 -5.715 53 HD2 PHE 5 HD1 PHE 5 -1.663 0.019 -5.064 54 HE1 PHE 5 HE2 PHE 5 -4.729 -2.284 -8.145 55 HE2 PHE 5 HE1 PHE 5 -1.426 0.332 -7.493 56 HZ PHE 5 HZ PHE 5 -2.960 -0.821 -9.037 57 H LYS 6 H LYS 6 -4.291 -2.988 -1.621 58 HA LYS 6 HA LYS 6 -5.889 -5.054 -2.531 59 HB2 LYS 6 2HB LYS 6 -4.858 -4.434 0.235 60 HB3 LYS 6 3HB LYS 6 -5.718 -5.921 -0.143 61 HG2 LYS 6 2HG LYS 6 -3.957 -6.264 -1.962 62 HG3 LYS 6 3HG LYS 6 -3.044 -5.001 -1.134 63 HD2 LYS 6 2HD LYS 6 -2.341 -6.456 0.395 64 HD3 LYS 6 3HD LYS 6 -4.003 -6.910 0.778 65 HE2 LYS 6 2HE LYS 6 -3.771 -8.274 -1.473 66 HE3 LYS 6 3HE LYS 6 -2.056 -8.186 -1.076 67 HZ1 LYS 6 3HZ LYS 6 -2.830 -10.152 -0.101 68 HZ2 LYS 6 1HZ LYS 6 -4.233 -9.422 0.500 69 HZ3 LYS 6 2HZ LYS 6 -2.730 -9.055 1.184 70 H LYS 7 H LYS 7 -6.633 -2.600 -0.079 71 HA LYS 7 HA LYS 7 -9.133 -3.549 0.706 72 HB2 LYS 7 2HB LYS 7 -7.975 -1.775 1.910 73 HB3 LYS 7 3HB LYS 7 -8.143 -0.697 0.530 74 HG2 LYS 7 2HG LYS 7 -10.637 -0.922 0.806 75 HG3 LYS 7 3HG LYS 7 -10.307 -1.734 2.338 76 HD2 LYS 7 2HD LYS 7 -8.763 0.653 2.241 77 HD3 LYS 7 3HD LYS 7 -10.425 1.052 1.798 78 HE2 LYS 7 2HE LYS 7 -10.697 1.183 4.034 79 HE3 LYS 7 3HE LYS 7 -10.875 -0.566 3.901 80 HZ1 LYS 7 3HZ LYS 7 -9.070 0.737 5.462 81 HZ2 LYS 7 1HZ LYS 7 -8.141 0.255 4.133 82 HZ3 LYS 7 2HZ LYS 7 -9.000 -0.896 5.026 83 H ILE 8 H ILE 8 -8.604 -0.786 -1.489 84 HA ILE 8 HA ILE 8 -11.182 -0.574 -2.448 85 HB ILE 8 HB ILE 8 -8.641 -0.043 -3.992 86 HG12 ILE 8 2HG1 ILE 8 -8.745 1.160 -1.847 87 HG13 ILE 8 3HG1 ILE 8 -8.890 2.264 -3.210 88 HG21 ILE 8 1HG2 ILE 8 -11.461 0.268 -4.651 89 HG22 ILE 8 2HG2 ILE 8 -10.538 1.760 -4.828 90 HG23 ILE 8 3HG2 ILE 8 -10.042 0.307 -5.697 91 HD11 ILE 8 3HD1 ILE 8 -10.635 1.918 -1.004 92 HD12 ILE 8 1HD1 ILE 8 -10.753 3.063 -2.340 93 HD13 ILE 8 2HD1 ILE 8 -11.500 1.471 -2.475 94 H GLU 9 H GLU 9 -8.544 -2.602 -3.661 95 HA GLU 9 HA GLU 9 -9.835 -3.578 -5.949 96 HB2 GLU 9 2HB GLU 9 -7.404 -3.829 -5.427 97 HB3 GLU 9 3HB GLU 9 -7.828 -5.051 -4.237 98 HG2 GLU 9 2HG GLU 9 -9.007 -6.226 -6.212 99 HG3 GLU 9 3HG GLU 9 -8.005 -5.178 -7.215 100 H LYS 10 H LYS 10 -9.679 -4.899 -2.655 101 HA LYS 10 HA LYS 10 -11.272 -7.177 -3.198 102 HB2 LYS 10 2HB LYS 10 -10.355 -5.772 -0.722 103 HB3 LYS 10 3HB LYS 10 -11.616 -6.991 -0.591 104 HG2 LYS 10 2HG LYS 10 -8.935 -7.479 -1.868 105 HG3 LYS 10 3HG LYS 10 -9.310 -7.832 -0.180 106 HD2 LYS 10 2HD LYS 10 -11.340 -9.127 -1.288 107 HD3 LYS 10 3HD LYS 10 -10.233 -9.186 -2.662 108 HE2 LYS 10 2HE LYS 10 -9.162 -10.881 -1.710 109 HE3 LYS 10 3HE LYS 10 -8.746 -9.843 -0.348 110 HZ1 LYS 10 3HZ LYS 10 -10.274 -12.061 -0.198 111 HZ2 LYS 10 1HZ LYS 10 -11.444 -10.841 -0.266 112 HZ3 LYS 10 2HZ LYS 10 -10.264 -10.814 0.945 113 H VAL 11 H VAL 11 -12.082 -4.205 -1.392 114 HA VAL 11 HA VAL 11 -14.782 -4.654 -1.052 115 HB VAL 11 HB VAL 11 -13.444 -1.993 -1.560 116 HG11 VAL 11 1HG1 VAL 11 -15.600 -1.678 0.184 117 HG12 VAL 11 2HG1 VAL 11 -15.497 -1.138 -1.493 118 HG13 VAL 11 3HG1 VAL 11 -16.200 -2.711 -1.113 119 HG21 VAL 11 3HG2 VAL 11 -13.416 -1.838 0.915 120 HG22 VAL 11 1HG2 VAL 11 -13.976 -3.508 0.993 121 HG23 VAL 11 2HG2 VAL 11 -12.402 -3.137 0.288 122 H GLY 12 H GLY 12 -13.167 -3.052 -3.787 123 HA2 GLY 12 2HA GLY 12 -15.460 -2.368 -5.235 124 HA3 GLY 12 3HA GLY 12 -13.871 -2.647 -5.932 125 H ARG 13 H ARG 13 -13.679 -5.400 -5.086 126 HA ARG 13 HA ARG 13 -15.152 -6.587 -7.255 127 HB2 ARG 13 2HB ARG 13 -13.005 -7.444 -5.391 128 HB3 ARG 13 3HB ARG 13 -14.016 -8.711 -6.073 129 HG2 ARG 13 2HG ARG 13 -13.479 -7.459 -8.326 130 HG3 ARG 13 3HG ARG 13 -12.079 -6.900 -7.409 131 HD2 ARG 13 2HD ARG 13 -11.192 -8.820 -8.233 132 HD3 ARG 13 3HD ARG 13 -11.958 -9.487 -6.791 133 HE ARG 13 HE ARG 13 -13.760 -9.527 -8.969 134 HH11 ARG 13 1HH1 ARG 13 -10.920 -11.119 -7.738 135 HH12 ARG 13 2HH1 ARG 13 -11.271 -12.629 -8.513 136 HH21 ARG 13 1HH2 ARG 13 -14.233 -11.509 -9.995 137 HH22 ARG 13 2HH2 ARG 13 -13.155 -12.849 -9.797 138 H ASN 14 H ASN 14 -15.266 -6.647 -3.737 139 HA ASN 14 HA ASN 14 -17.015 -8.762 -3.334 140 HB2 ASN 14 2HB ASN 14 -16.130 -6.423 -1.817 141 HB3 ASN 14 3HB ASN 14 -17.768 -6.927 -1.410 142 HD21 ASN 14 1HD2 ASN 14 -17.891 -8.323 0.177 143 HD22 ASN 14 2HD2 ASN 14 -16.689 -9.485 0.614 144 H VAL 15 H VAL 15 -17.873 -5.305 -3.571 145 HA VAL 15 HA VAL 15 -20.620 -5.549 -3.517 146 HB VAL 15 HB VAL 15 -19.098 -3.572 -5.221 147 HG11 VAL 15 1HG1 VAL 15 -21.173 -2.962 -5.792 148 HG12 VAL 15 2HG1 VAL 15 -21.907 -3.913 -4.499 149 HG13 VAL 15 3HG1 VAL 15 -21.281 -2.299 -4.162 150 HG21 VAL 15 3HG2 VAL 15 -19.557 -2.161 -3.043 151 HG22 VAL 15 1HG2 VAL 15 -19.535 -3.752 -2.282 152 HG23 VAL 15 2HG2 VAL 15 -18.128 -3.185 -3.182 153 H ARG 16 H ARG 16 -18.654 -5.240 -6.484 154 HA ARG 16 HA ARG 16 -20.645 -5.714 -8.331 155 HB2 ARG 16 2HB ARG 16 -17.808 -5.560 -8.341 156 HB3 ARG 16 3HB ARG 16 -18.262 -6.998 -9.246 157 HG2 ARG 16 2HG ARG 16 -19.800 -5.585 -10.597 158 HG3 ARG 16 3HG ARG 16 -19.151 -4.171 -9.763 159 HD2 ARG 16 2HD ARG 16 -17.856 -4.226 -11.670 160 HD3 ARG 16 3HD ARG 16 -16.850 -5.117 -10.528 161 HE ARG 16 HE ARG 16 -18.531 -6.903 -11.922 162 HH11 ARG 16 1HH1 ARG 16 -15.726 -4.892 -12.381 163 HH12 ARG 16 2HH1 ARG 16 -15.060 -5.883 -13.636 164 HH21 ARG 16 1HH2 ARG 16 -17.664 -8.215 -13.575 165 HH22 ARG 16 2HH2 ARG 16 -16.164 -7.772 -14.315 166 H ASP 17 H ASP 17 -18.380 -8.146 -7.034 167 HA ASP 17 HA ASP 17 -19.446 -10.390 -8.233 168 HB2 ASP 17 2HB ASP 17 -17.342 -10.304 -6.881 169 HB3 ASP 17 3HB ASP 17 -18.332 -10.283 -5.424 170 H GLY 18 H GLY 18 -20.450 -8.810 -5.227 171 HA2 GLY 18 2HA GLY 18 -22.390 -10.756 -4.509 172 HA3 GLY 18 3HA GLY 18 -22.297 -9.113 -3.892 173 H ILE 19 H ILE 19 -22.597 -7.712 -6.307 174 HA ILE 19 HA ILE 19 -25.424 -7.736 -6.555 175 HB ILE 19 HB ILE 19 -23.365 -6.350 -8.277 176 HG12 ILE 19 2HG1 ILE 19 -25.067 -5.047 -6.176 177 HG13 ILE 19 3HG1 ILE 19 -23.572 -5.858 -5.724 178 HG21 ILE 19 1HG2 ILE 19 -25.466 -4.808 -8.598 179 HG22 ILE 19 2HG2 ILE 19 -25.231 -6.239 -9.601 180 HG23 ILE 19 3HG2 ILE 19 -26.341 -6.295 -8.232 181 HD11 ILE 19 3HD1 ILE 19 -23.705 -3.700 -7.808 182 HD12 ILE 19 1HD1 ILE 19 -23.407 -3.386 -6.098 183 HD13 ILE 19 2HD1 ILE 19 -22.274 -4.371 -7.025 184 H ILE 20 H ILE 20 -22.796 -8.975 -8.549 185 HA ILE 20 HA ILE 20 -24.502 -9.727 -10.728 186 HB ILE 20 HB ILE 20 -21.674 -10.576 -10.094 187 HG12 ILE 20 2HG1 ILE 20 -21.962 -8.147 -10.487 188 HG13 ILE 20 3HG1 ILE 20 -21.013 -8.920 -11.752 189 HG21 ILE 20 1HG2 ILE 20 -23.550 -11.511 -12.063 190 HG22 ILE 20 2HG2 ILE 20 -22.158 -10.759 -12.841 191 HG23 ILE 20 3HG2 ILE 20 -21.922 -12.086 -11.705 192 HD11 ILE 20 3HD1 ILE 20 -22.914 -8.909 -13.233 193 HD12 ILE 20 1HD1 ILE 20 -23.937 -8.246 -11.959 194 HD13 ILE 20 2HD1 ILE 20 -22.618 -7.282 -12.622 195 H LYS 21 H LYS 21 -22.831 -11.495 -8.135 196 HA LYS 21 HA LYS 21 -23.782 -14.051 -8.848 197 HB2 LYS 21 2HB LYS 21 -21.849 -13.613 -7.337 198 HB3 LYS 21 3HB LYS 21 -22.980 -13.078 -6.101 199 HG2 LYS 21 2HG LYS 21 -23.639 -15.180 -5.595 200 HG3 LYS 21 3HG LYS 21 -23.451 -15.758 -7.252 201 HD2 LYS 21 2HD LYS 21 -20.886 -15.035 -6.233 202 HD3 LYS 21 3HD LYS 21 -21.685 -16.091 -5.065 203 HE2 LYS 21 2HE LYS 21 -22.261 -17.443 -7.282 204 HE3 LYS 21 3HE LYS 21 -20.792 -16.646 -7.840 205 HZ1 LYS 21 3HZ LYS 21 -21.019 -18.898 -6.198 206 HZ2 LYS 21 1HZ LYS 21 -20.323 -17.662 -5.276 207 HZ3 LYS 21 2HZ LYS 21 -19.609 -18.133 -6.735 208 H ALA 22 H ALA 22 -24.748 -12.149 -5.989 209 HA ALA 22 HA ALA 22 -27.317 -13.531 -5.976 210 HB1 ALA 22 1HB ALA 22 -26.799 -13.505 -3.798 211 HB2 ALA 22 2HB ALA 22 -25.659 -12.171 -3.986 212 HB3 ALA 22 3HB ALA 22 -27.385 -11.842 -3.835 213 H GLY 23 H GLY 23 -26.535 -10.155 -5.169 214 HA2 GLY 23 2HA GLY 23 -27.560 -8.698 -7.162 215 HA3 GLY 23 3HA GLY 23 -29.025 -9.305 -6.406 216 HA PRO 24 HA PRO 24 -28.963 -6.126 -3.396 217 HB2 PRO 24 2HB PRO 24 -29.570 -7.405 -1.080 218 HB3 PRO 24 3HB PRO 24 -30.749 -7.143 -2.370 219 HG2 PRO 24 2HG PRO 24 -29.154 -9.594 -1.731 220 HG3 PRO 24 3HG PRO 24 -30.865 -9.457 -2.180 221 HD2 PRO 24 2HD PRO 24 -28.948 -10.187 -3.948 222 HD3 PRO 24 3HD PRO 24 -30.390 -9.268 -4.427 223 H ALA 25 H ALA 25 -26.851 -5.397 -3.295 224 HA ALA 25 HA ALA 25 -24.880 -6.804 -1.710 225 HB1 ALA 25 1HB ALA 25 -23.500 -5.780 -3.111 226 HB2 ALA 25 2HB ALA 25 -24.835 -4.840 -3.779 227 HB3 ALA 25 3HB ALA 25 -23.937 -4.233 -2.387 228 H VAL 26 H VAL 26 -26.967 -4.007 -1.413 229 HA VAL 26 HA VAL 26 -25.823 -2.653 0.699 230 HB VAL 26 HB VAL 26 -27.774 -1.778 -0.429 231 HG11 VAL 26 1HG1 VAL 26 -28.892 -3.957 -0.798 232 HG12 VAL 26 2HG1 VAL 26 -29.366 -3.966 0.902 233 HG13 VAL 26 3HG1 VAL 26 -29.979 -2.714 -0.179 234 HG21 VAL 26 3HG2 VAL 26 -27.260 -1.316 2.070 235 HG22 VAL 26 1HG2 VAL 26 -28.800 -0.783 1.396 236 HG23 VAL 26 2HG2 VAL 26 -28.725 -2.251 2.370 237 H ALA 27 H ALA 27 -27.810 -5.566 0.763 238 HA ALA 27 HA ALA 27 -28.091 -5.692 3.584 239 HB1 ALA 27 1HB ALA 27 -28.774 -7.357 1.294 240 HB2 ALA 27 2HB ALA 27 -28.324 -8.290 2.722 241 HB3 ALA 27 3HB ALA 27 -29.633 -7.112 2.815 242 H VAL 28 H VAL 28 -26.041 -7.595 1.365 243 HA VAL 28 HA VAL 28 -24.590 -8.968 3.300 244 HB VAL 28 HB VAL 28 -23.598 -8.064 0.593 245 HG11 VAL 28 1HG1 VAL 28 -22.100 -10.016 0.765 246 HG12 VAL 28 2HG1 VAL 28 -21.777 -8.803 2.005 247 HG13 VAL 28 3HG1 VAL 28 -22.659 -10.274 2.418 248 HG21 VAL 28 3HG2 VAL 28 -25.677 -9.871 1.303 249 HG22 VAL 28 1HG2 VAL 28 -25.048 -9.488 -0.299 250 HG23 VAL 28 2HG2 VAL 28 -24.334 -10.801 0.638 251 H VAL 29 H VAL 29 -24.089 -5.761 1.937 252 HA VAL 29 HA VAL 29 -21.546 -5.349 3.185 253 HB VAL 29 HB VAL 29 -23.475 -3.335 2.021 254 HG11 VAL 29 1HG1 VAL 29 -21.277 -2.004 1.820 255 HG12 VAL 29 2HG1 VAL 29 -22.074 -2.080 3.393 256 HG13 VAL 29 3HG1 VAL 29 -20.674 -3.102 3.061 257 HG21 VAL 29 3HG2 VAL 29 -21.976 -5.306 0.740 258 HG22 VAL 29 1HG2 VAL 29 -22.738 -3.899 -0.002 259 HG23 VAL 29 2HG2 VAL 29 -21.056 -3.817 0.521 260 H GLY 30 H GLY 30 -24.779 -3.945 3.775 261 HA2 GLY 30 2HA GLY 30 -24.137 -2.538 6.093 262 HA3 GLY 30 3HA GLY 30 -25.742 -3.131 5.692 263 H GLN 31 H GLN 31 -25.515 -5.813 5.824 264 HA GLN 31 HA GLN 31 -25.677 -6.358 8.550 265 HB2 GLN 31 2HB GLN 31 -25.200 -8.237 6.232 266 HB3 GLN 31 3HB GLN 31 -25.594 -8.762 7.864 267 HG2 GLN 31 2HG GLN 31 -27.416 -6.802 6.605 268 HG3 GLN 31 3HG GLN 31 -27.426 -8.445 5.965 269 HE21 GLN 31 1HE2 GLN 31 -28.033 -10.155 7.327 270 HE22 GLN 31 2HE2 GLN 31 -28.957 -9.881 8.760 271 H ALA 32 H ALA 32 -23.129 -7.471 6.311 272 HA ALA 32 HA ALA 32 -21.403 -8.524 8.204 273 HB1 ALA 32 1HB ALA 32 -20.840 -7.270 5.527 274 HB2 ALA 32 2HB ALA 32 -19.604 -8.073 6.496 275 HB3 ALA 32 3HB ALA 32 -20.998 -8.983 5.916 276 H ALA 33 H ALA 33 -21.457 -5.225 6.871 277 HA ALA 33 HA ALA 33 -19.268 -4.211 8.273 278 HB1 ALA 33 1HB ALA 33 -20.180 -2.009 7.809 279 HB2 ALA 33 2HB ALA 33 -20.346 -3.054 6.397 280 HB3 ALA 33 3HB ALA 33 -21.746 -2.720 7.417 281 H THR 34 H THR 34 -22.707 -4.268 9.155 282 HA THR 34 HA THR 34 -22.410 -2.886 11.603 283 HB THR 34 HB THR 34 -24.560 -4.841 10.765 284 HG1 THR 34 HG1 THR 34 -25.644 -2.637 10.552 285 HG21 THR 34 3HG2 THR 34 -24.058 -3.586 13.280 286 HG22 THR 34 1HG2 THR 34 -25.400 -4.631 12.817 287 HG23 THR 34 2HG2 THR 34 -25.517 -2.888 12.577 288 H VAL 35 H VAL 35 -22.356 -6.317 10.763 289 HA VAL 35 HA VAL 35 -22.256 -7.286 13.427 290 HB VAL 35 HB VAL 35 -21.305 -8.604 10.881 291 HG11 VAL 35 1HG1 VAL 35 -21.735 -10.705 12.259 292 HG12 VAL 35 2HG1 VAL 35 -20.285 -9.776 12.644 293 HG13 VAL 35 3HG1 VAL 35 -21.715 -9.646 13.668 294 HG21 VAL 35 3HG2 VAL 35 -23.913 -7.972 11.798 295 HG22 VAL 35 1HG2 VAL 35 -23.445 -8.901 10.374 296 HG23 VAL 35 2HG2 VAL 35 -23.707 -9.720 11.914 297 H VAL 36 H VAL 36 -19.775 -6.480 11.041 298 HA VAL 36 HA VAL 36 -17.589 -7.373 12.650 299 HB VAL 36 HB VAL 36 -17.599 -5.485 10.290 300 HG11 VAL 36 1HG1 VAL 36 -15.535 -5.064 11.159 301 HG12 VAL 36 2HG1 VAL 36 -15.432 -6.629 11.968 302 HG13 VAL 36 3HG1 VAL 36 -15.156 -6.513 10.229 303 HG21 VAL 36 3HG2 VAL 36 -17.727 -7.258 8.942 304 HG22 VAL 36 1HG2 VAL 36 -16.511 -8.138 9.868 305 HG23 VAL 36 2HG2 VAL 36 -18.203 -8.190 10.362 306 H LYS 37 H LYS 37 -18.781 -4.130 11.768 307 HA LYS 37 HA LYS 37 -17.101 -2.915 13.801 308 HB2 LYS 37 2HB LYS 37 -17.446 -1.882 11.542 309 HB3 LYS 37 3HB LYS 37 -19.122 -1.592 11.986 310 HG2 LYS 37 2HG LYS 37 -18.608 0.134 13.348 311 HG3 LYS 37 3HG LYS 37 -17.077 -0.582 13.860 312 HD2 LYS 37 2HD LYS 37 -15.919 0.288 12.081 313 HD3 LYS 37 3HD LYS 37 -17.344 0.337 11.039 314 HE2 LYS 37 2HE LYS 37 -17.226 2.096 13.448 315 HE3 LYS 37 3HE LYS 37 -16.317 2.546 12.006 316 HZ1 LYS 37 3HZ LYS 37 -19.174 1.840 11.818 317 HZ2 LYS 37 1HZ LYS 37 -18.239 2.779 10.766 318 HZ3 LYS 37 2HZ LYS 37 -18.703 3.401 12.269 319 HN1 NH2 38 HN1 NH2 38 -20.678 -1.744 13.377 Start of MODEL 17 1 H1 ARG 1 H ARG 1 2.354 -6.979 -5.358 2 HA ARG 1 HA ARG 1 0.421 -6.258 -3.909 3 HB2 ARG 1 2HB ARG 1 2.219 -8.391 -3.525 4 HB3 ARG 1 3HB ARG 1 1.922 -7.716 -1.929 5 HG2 ARG 1 2HG ARG 1 -0.209 -8.430 -1.877 6 HG3 ARG 1 3HG ARG 1 -0.468 -8.118 -3.595 7 HD2 ARG 1 2HD ARG 1 -0.560 -10.526 -2.986 8 HD3 ARG 1 3HD ARG 1 0.664 -10.143 -4.196 9 HE ARG 1 HE ARG 1 1.906 -10.046 -1.715 10 HH11 ARG 1 1HH1 ARG 1 0.314 -12.395 -3.731 11 HH12 ARG 1 2HH1 ARG 1 1.242 -13.730 -3.133 12 HH21 ARG 1 1HH2 ARG 1 3.135 -11.795 -0.920 13 HH22 ARG 1 2HH2 ARG 1 2.846 -13.388 -1.533 14 H TRP 2 H TRP 2 -0.013 -4.436 -2.863 15 HA TRP 2 HA TRP 2 1.696 -3.672 -0.610 16 HB2 TRP 2 2HB TRP 2 0.892 -1.898 -2.909 17 HB3 TRP 2 3HB TRP 2 1.335 -1.237 -1.337 18 HD1 TRP 2 HD1 TRP 2 2.829 -2.173 -4.558 19 HE1 TRP 2 HE1 TRP 2 5.395 -2.270 -4.387 20 HE3 TRP 2 HE3 TRP 2 3.306 -2.096 0.532 21 HZ2 TRP 2 HZ2 TRP 2 7.362 -2.309 -2.362 22 HZ3 TRP 2 HZ3 TRP 2 5.565 -2.167 1.505 23 HH2 TRP 2 HH2 TRP 2 7.549 -2.272 0.087 24 H LYS 3 H LYS 3 0.567 -1.785 0.623 25 HA LYS 3 HA LYS 3 -1.787 -2.716 1.722 26 HB2 LYS 3 2HB LYS 3 -0.266 -0.202 1.811 27 HB3 LYS 3 3HB LYS 3 -1.978 -0.021 2.171 28 HG2 LYS 3 2HG LYS 3 -1.852 -1.292 4.081 29 HG3 LYS 3 3HG LYS 3 -0.421 -2.168 3.531 30 HD2 LYS 3 2HD LYS 3 0.991 -0.313 3.971 31 HD3 LYS 3 3HD LYS 3 -0.386 0.769 4.197 32 HE2 LYS 3 2HE LYS 3 -0.998 -0.913 6.110 33 HE3 LYS 3 3HE LYS 3 0.715 -1.321 6.023 34 HZ1 LYS 3 3HZ LYS 3 -0.196 0.606 7.561 35 HZ2 LYS 3 1HZ LYS 3 0.023 1.511 6.149 36 HZ3 LYS 3 2HZ LYS 3 1.330 0.686 6.834 37 H ILE 4 H ILE 4 -1.721 0.339 -0.098 38 HA ILE 4 HA ILE 4 -4.425 0.484 -0.622 39 HB ILE 4 HB ILE 4 -2.967 2.373 -1.024 40 HG12 ILE 4 2HG1 ILE 4 -4.280 1.460 -3.594 41 HG13 ILE 4 3HG1 ILE 4 -5.103 2.256 -2.257 42 HG21 ILE 4 1HG2 ILE 4 -1.896 0.908 -3.428 43 HG22 ILE 4 2HG2 ILE 4 -1.383 2.476 -2.808 44 HG23 ILE 4 3HG2 ILE 4 -1.055 1.013 -1.881 45 HD11 ILE 4 3HD1 ILE 4 -2.909 3.450 -3.935 46 HD12 ILE 4 1HD1 ILE 4 -4.632 3.805 -4.069 47 HD13 ILE 4 2HD1 ILE 4 -3.751 4.250 -2.607 48 H PHE 5 H PHE 5 -1.909 -1.185 -2.439 49 HA PHE 5 HA PHE 5 -3.354 -1.808 -4.741 50 HB2 PHE 5 2HB PHE 5 -0.907 -2.737 -3.448 51 HB3 PHE 5 3HB PHE 5 -1.732 -4.016 -4.333 52 HD1 PHE 5 HD1 PHE 5 -0.005 -0.804 -4.596 53 HD2 PHE 5 HD2 PHE 5 -1.941 -3.934 -6.733 54 HE1 PHE 5 HE1 PHE 5 0.941 0.052 -6.699 55 HE2 PHE 5 HE2 PHE 5 -0.998 -3.084 -8.840 56 HZ PHE 5 HZ PHE 5 0.446 -1.089 -8.825 57 H LYS 6 H LYS 6 -2.645 -4.136 -2.138 58 HA LYS 6 HA LYS 6 -4.573 -6.005 -2.877 59 HB2 LYS 6 2HB LYS 6 -2.624 -6.228 -1.209 60 HB3 LYS 6 3HB LYS 6 -3.737 -5.565 -0.019 61 HG2 LYS 6 2HG LYS 6 -5.306 -7.481 -0.870 62 HG3 LYS 6 3HG LYS 6 -3.785 -8.200 -1.402 63 HD2 LYS 6 2HD LYS 6 -4.135 -9.057 0.756 64 HD3 LYS 6 3HD LYS 6 -2.947 -7.768 0.970 65 HE2 LYS 6 2HE LYS 6 -4.527 -6.313 1.900 66 HE3 LYS 6 3HE LYS 6 -5.886 -7.255 1.288 67 HZ1 LYS 6 3HZ LYS 6 -5.448 -8.961 2.866 68 HZ2 LYS 6 1HZ LYS 6 -5.474 -7.495 3.710 69 HZ3 LYS 6 2HZ LYS 6 -3.998 -8.240 3.354 70 H LYS 7 H LYS 7 -4.808 -3.193 -0.778 71 HA LYS 7 HA LYS 7 -7.321 -3.724 0.351 72 HB2 LYS 7 2HB LYS 7 -5.735 -1.229 -0.138 73 HB3 LYS 7 3HB LYS 7 -7.390 -1.107 0.445 74 HG2 LYS 7 2HG LYS 7 -5.497 -2.913 1.864 75 HG3 LYS 7 3HG LYS 7 -5.373 -1.170 2.111 76 HD2 LYS 7 2HD LYS 7 -8.076 -2.375 2.286 77 HD3 LYS 7 3HD LYS 7 -6.949 -2.729 3.598 78 HE2 LYS 7 2HE LYS 7 -7.194 0.092 2.706 79 HE3 LYS 7 3HE LYS 7 -8.534 -0.596 3.621 80 HZ1 LYS 7 3HZ LYS 7 -7.341 -0.619 5.499 81 HZ2 LYS 7 1HZ LYS 7 -6.355 0.513 4.720 82 HZ3 LYS 7 2HZ LYS 7 -5.919 -1.121 4.732 83 H ILE 8 H ILE 8 -6.637 -1.371 -2.244 84 HA ILE 8 HA ILE 8 -9.291 -1.019 -3.030 85 HB ILE 8 HB ILE 8 -6.808 -0.742 -4.728 86 HG12 ILE 8 2HG1 ILE 8 -6.779 0.618 -2.660 87 HG13 ILE 8 3HG1 ILE 8 -6.877 1.613 -4.109 88 HG21 ILE 8 1HG2 ILE 8 -8.308 0.943 -5.933 89 HG22 ILE 8 2HG2 ILE 8 -8.602 -0.770 -6.229 90 HG23 ILE 8 3HG2 ILE 8 -9.651 0.128 -5.132 91 HD11 ILE 8 3HD1 ILE 8 -9.507 0.988 -3.144 92 HD12 ILE 8 1HD1 ILE 8 -8.526 1.707 -1.867 93 HD13 ILE 8 2HD1 ILE 8 -8.744 2.558 -3.397 94 H GLU 9 H GLU 9 -6.843 -3.300 -4.178 95 HA GLU 9 HA GLU 9 -8.279 -4.357 -6.340 96 HB2 GLU 9 2HB GLU 9 -5.847 -4.731 -5.851 97 HB3 GLU 9 3HB GLU 9 -6.327 -5.851 -4.584 98 HG2 GLU 9 2HG GLU 9 -6.030 -7.354 -6.233 99 HG3 GLU 9 3HG GLU 9 -7.695 -6.913 -6.609 100 H LYS 10 H LYS 10 -8.007 -5.551 -2.995 101 HA LYS 10 HA LYS 10 -9.827 -7.686 -3.321 102 HB2 LYS 10 2HB LYS 10 -8.129 -7.429 -1.474 103 HB3 LYS 10 3HB LYS 10 -9.198 -6.237 -0.747 104 HG2 LYS 10 2HG LYS 10 -10.278 -7.865 0.286 105 HG3 LYS 10 3HG LYS 10 -10.758 -8.525 -1.279 106 HD2 LYS 10 2HD LYS 10 -8.312 -9.517 -1.218 107 HD3 LYS 10 3HD LYS 10 -8.526 -9.323 0.523 108 HE2 LYS 10 2HE LYS 10 -9.509 -11.331 0.445 109 HE3 LYS 10 3HE LYS 10 -10.892 -10.474 -0.233 110 HZ1 LYS 10 3HZ LYS 10 -10.323 -12.355 -1.603 111 HZ2 LYS 10 1HZ LYS 10 -8.731 -11.808 -1.773 112 HZ3 LYS 10 2HZ LYS 10 -10.005 -10.928 -2.455 113 H VAL 11 H VAL 11 -10.259 -4.540 -1.691 114 HA VAL 11 HA VAL 11 -12.958 -4.747 -1.124 115 HB VAL 11 HB VAL 11 -11.445 -2.246 -1.891 116 HG11 VAL 11 1HG1 VAL 11 -14.174 -2.718 -0.793 117 HG12 VAL 11 2HG1 VAL 11 -13.272 -1.298 -0.260 118 HG13 VAL 11 3HG1 VAL 11 -13.623 -1.529 -1.973 119 HG21 VAL 11 3HG2 VAL 11 -10.609 -3.702 0.053 120 HG22 VAL 11 1HG2 VAL 11 -10.873 -1.985 0.359 121 HG23 VAL 11 2HG2 VAL 11 -12.063 -3.170 0.896 122 H GLY 12 H GLY 12 -11.376 -3.785 -4.124 123 HA2 GLY 12 2HA GLY 12 -13.663 -2.829 -5.468 124 HA3 GLY 12 3HA GLY 12 -12.198 -3.422 -6.236 125 H ARG 13 H ARG 13 -12.074 -6.014 -5.698 126 HA ARG 13 HA ARG 13 -14.063 -7.134 -7.369 127 HB2 ARG 13 2HB ARG 13 -11.792 -8.047 -7.231 128 HB3 ARG 13 3HB ARG 13 -12.070 -8.505 -5.556 129 HG2 ARG 13 2HG ARG 13 -13.226 -10.348 -6.114 130 HG3 ARG 13 3HG ARG 13 -14.021 -9.563 -7.480 131 HD2 ARG 13 2HD ARG 13 -11.216 -9.816 -8.006 132 HD3 ARG 13 3HD ARG 13 -11.875 -11.382 -7.536 133 HE ARG 13 HE ARG 13 -13.603 -10.244 -9.409 134 HH11 ARG 13 1HH1 ARG 13 -10.355 -11.485 -9.229 135 HH12 ARG 13 2HH1 ARG 13 -10.314 -11.983 -10.889 136 HH21 ARG 13 1HH2 ARG 13 -13.561 -10.895 -11.595 137 HH22 ARG 13 2HH2 ARG 13 -12.138 -11.646 -12.233 138 H ASN 14 H ASN 14 -13.653 -6.970 -3.888 139 HA ASN 14 HA ASN 14 -15.477 -8.892 -3.064 140 HB2 ASN 14 2HB ASN 14 -14.435 -6.358 -1.880 141 HB3 ASN 14 3HB ASN 14 -15.820 -7.126 -1.109 142 HD21 ASN 14 1HD2 ASN 14 -14.236 -7.263 0.670 143 HD22 ASN 14 2HD2 ASN 14 -13.200 -8.645 0.728 144 H VAL 15 H VAL 15 -16.195 -5.400 -3.061 145 HA VAL 15 HA VAL 15 -18.935 -5.588 -2.826 146 HB VAL 15 HB VAL 15 -17.419 -3.478 -4.368 147 HG11 VAL 15 1HG1 VAL 15 -19.444 -2.104 -3.468 148 HG12 VAL 15 2HG1 VAL 15 -19.621 -3.079 -4.928 149 HG13 VAL 15 3HG1 VAL 15 -20.232 -3.679 -3.385 150 HG21 VAL 15 3HG2 VAL 15 -16.565 -2.849 -2.416 151 HG22 VAL 15 1HG2 VAL 15 -18.200 -2.566 -1.818 152 HG23 VAL 15 2HG2 VAL 15 -17.436 -4.139 -1.586 153 H ARG 16 H ARG 16 -17.054 -5.312 -5.838 154 HA ARG 16 HA ARG 16 -19.121 -5.329 -7.663 155 HB2 ARG 16 2HB ARG 16 -16.292 -6.289 -7.751 156 HB3 ARG 16 3HB ARG 16 -17.355 -6.659 -9.102 157 HG2 ARG 16 2HG ARG 16 -17.868 -4.152 -9.141 158 HG3 ARG 16 3HG ARG 16 -16.444 -3.984 -8.112 159 HD2 ARG 16 2HD ARG 16 -15.985 -5.685 -10.432 160 HD3 ARG 16 3HD ARG 16 -16.461 -4.043 -10.866 161 HE ARG 16 HE ARG 16 -14.522 -3.735 -8.959 162 HH11 ARG 16 1HH1 ARG 16 -14.737 -5.322 -12.049 163 HH12 ARG 16 2HH1 ARG 16 -13.060 -5.105 -12.424 164 HH21 ARG 16 1HH2 ARG 16 -12.312 -3.442 -9.441 165 HH22 ARG 16 2HH2 ARG 16 -11.681 -4.036 -10.939 166 H ASP 17 H ASP 17 -17.241 -8.216 -6.725 167 HA ASP 17 HA ASP 17 -18.884 -10.098 -7.940 168 HB2 ASP 17 2HB ASP 17 -16.555 -10.354 -6.797 169 HB3 ASP 17 3HB ASP 17 -17.495 -10.705 -5.349 170 H GLY 18 H GLY 18 -19.125 -8.597 -4.762 171 HA2 GLY 18 2HA GLY 18 -21.130 -10.278 -3.705 172 HA3 GLY 18 3HA GLY 18 -20.782 -8.639 -3.174 173 H ILE 19 H ILE 19 -21.359 -7.191 -5.449 174 HA ILE 19 HA ILE 19 -24.215 -7.123 -5.327 175 HB ILE 19 HB ILE 19 -22.318 -5.579 -7.099 176 HG12 ILE 19 2HG1 ILE 19 -22.005 -5.197 -4.672 177 HG13 ILE 19 3HG1 ILE 19 -22.609 -3.766 -5.500 178 HG21 ILE 19 1HG2 ILE 19 -25.276 -5.450 -6.696 179 HG22 ILE 19 2HG2 ILE 19 -24.373 -3.991 -7.104 180 HG23 ILE 19 3HG2 ILE 19 -24.344 -5.379 -8.192 181 HD11 ILE 19 3HD1 ILE 19 -24.365 -3.675 -4.164 182 HD12 ILE 19 1HD1 ILE 19 -24.798 -5.344 -4.534 183 HD13 ILE 19 2HD1 ILE 19 -23.663 -4.996 -3.230 184 H ILE 20 H ILE 20 -21.836 -8.238 -7.658 185 HA ILE 20 HA ILE 20 -23.671 -8.644 -9.797 186 HB ILE 20 HB ILE 20 -20.964 -9.896 -9.321 187 HG12 ILE 20 2HG1 ILE 20 -21.516 -7.730 -11.310 188 HG13 ILE 20 3HG1 ILE 20 -21.320 -7.300 -9.614 189 HG21 ILE 20 1HG2 ILE 20 -22.979 -10.401 -11.310 190 HG22 ILE 20 2HG2 ILE 20 -21.513 -9.769 -12.057 191 HG23 ILE 20 3HG2 ILE 20 -21.435 -11.212 -11.047 192 HD11 ILE 20 3HD1 ILE 20 -19.183 -8.979 -10.143 193 HD12 ILE 20 1HD1 ILE 20 -19.332 -7.981 -11.589 194 HD13 ILE 20 2HD1 ILE 20 -19.144 -7.221 -10.009 195 H LYS 21 H LYS 21 -22.257 -10.784 -7.346 196 HA LYS 21 HA LYS 21 -23.288 -13.208 -8.195 197 HB2 LYS 21 2HB LYS 21 -22.443 -12.091 -5.575 198 HB3 LYS 21 3HB LYS 21 -23.398 -13.568 -5.540 199 HG2 LYS 21 2HG LYS 21 -21.723 -14.522 -7.185 200 HG3 LYS 21 3HG LYS 21 -20.720 -13.117 -6.818 201 HD2 LYS 21 2HD LYS 21 -21.731 -14.452 -4.433 202 HD3 LYS 21 3HD LYS 21 -20.732 -15.502 -5.440 203 HE2 LYS 21 2HE LYS 21 -18.993 -13.721 -5.454 204 HE3 LYS 21 3HE LYS 21 -19.979 -12.809 -4.312 205 HZ1 LYS 21 3HZ LYS 21 -18.379 -13.990 -3.063 206 HZ2 LYS 21 1HZ LYS 21 -18.685 -15.440 -3.880 207 HZ3 LYS 21 2HZ LYS 21 -19.845 -14.801 -2.829 208 H ALA 22 H ALA 22 -24.687 -11.492 -5.412 209 HA ALA 22 HA ALA 22 -27.317 -12.533 -6.182 210 HB1 ALA 22 1HB ALA 22 -27.764 -11.491 -3.754 211 HB2 ALA 22 2HB ALA 22 -27.155 -13.128 -4.006 212 HB3 ALA 22 3HB ALA 22 -26.036 -11.821 -3.618 213 H GLY 23 H GLY 23 -26.394 -9.598 -4.395 214 HA2 GLY 23 2HA GLY 23 -26.639 -7.447 -5.697 215 HA3 GLY 23 3HA GLY 23 -28.204 -8.088 -6.175 216 HA PRO 24 HA PRO 24 -30.130 -6.318 -2.665 217 HB2 PRO 24 2HB PRO 24 -31.873 -8.242 -1.874 218 HB3 PRO 24 3HB PRO 24 -32.096 -7.291 -3.347 219 HG2 PRO 24 2HG PRO 24 -30.992 -10.055 -3.026 220 HG3 PRO 24 3HG PRO 24 -32.125 -9.437 -4.242 221 HD2 PRO 24 2HD PRO 24 -29.489 -9.786 -4.752 222 HD3 PRO 24 3HD PRO 24 -30.446 -8.499 -5.513 223 H ALA 25 H ALA 25 -28.993 -9.634 -2.148 224 HA ALA 25 HA ALA 25 -29.100 -9.788 0.604 225 HB1 ALA 25 1HB ALA 25 -26.902 -10.897 -1.137 226 HB2 ALA 25 2HB ALA 25 -27.368 -11.467 0.466 227 HB3 ALA 25 3HB ALA 25 -28.478 -11.650 -0.893 228 H VAL 26 H VAL 26 -26.423 -8.543 -1.387 229 HA VAL 26 HA VAL 26 -24.624 -7.907 0.606 230 HB VAL 26 HB VAL 26 -25.159 -6.318 -1.908 231 HG11 VAL 26 1HG1 VAL 26 -23.204 -6.042 0.244 232 HG12 VAL 26 2HG1 VAL 26 -22.482 -6.128 -1.364 233 HG13 VAL 26 3HG1 VAL 26 -23.689 -4.893 -1.002 234 HG21 VAL 26 3HG2 VAL 26 -24.609 -8.330 -2.807 235 HG22 VAL 26 1HG2 VAL 26 -22.977 -7.742 -2.486 236 HG23 VAL 26 2HG2 VAL 26 -23.747 -8.864 -1.364 237 H ALA 27 H ALA 27 -27.280 -5.914 -0.656 238 HA ALA 27 HA ALA 27 -26.764 -3.676 1.003 239 HB1 ALA 27 1HB ALA 27 -28.625 -4.381 -1.030 240 HB2 ALA 27 2HB ALA 27 -29.518 -3.751 0.355 241 HB3 ALA 27 3HB ALA 27 -28.244 -2.783 -0.385 242 H VAL 28 H VAL 28 -29.228 -6.246 1.228 243 HA VAL 28 HA VAL 28 -30.412 -5.474 3.609 244 HB VAL 28 HB VAL 28 -29.952 -8.307 2.663 245 HG11 VAL 28 1HG1 VAL 28 -30.655 -8.494 4.878 246 HG12 VAL 28 2HG1 VAL 28 -31.742 -7.110 4.750 247 HG13 VAL 28 3HG1 VAL 28 -32.150 -8.630 3.954 248 HG21 VAL 28 3HG2 VAL 28 -31.596 -6.167 1.638 249 HG22 VAL 28 1HG2 VAL 28 -31.293 -7.771 0.970 250 HG23 VAL 28 2HG2 VAL 28 -32.583 -7.536 2.150 251 H VAL 29 H VAL 29 -27.501 -7.402 3.082 252 HA VAL 29 HA VAL 29 -27.118 -7.999 5.859 253 HB VAL 29 HB VAL 29 -25.168 -8.182 3.557 254 HG11 VAL 29 1HG1 VAL 29 -23.913 -8.110 5.570 255 HG12 VAL 29 2HG1 VAL 29 -25.037 -9.198 6.388 256 HG13 VAL 29 3HG1 VAL 29 -24.006 -9.804 5.091 257 HG21 VAL 29 3HG2 VAL 29 -27.462 -9.708 4.137 258 HG22 VAL 29 1HG2 VAL 29 -26.209 -10.044 2.942 259 HG23 VAL 29 2HG2 VAL 29 -26.071 -10.701 4.573 260 H GLY 30 H GLY 30 -25.343 -5.918 3.559 261 HA2 GLY 30 2HA GLY 30 -23.585 -4.751 5.354 262 HA3 GLY 30 3HA GLY 30 -24.169 -3.973 3.891 263 H GLN 31 H GLN 31 -26.761 -3.484 4.346 264 HA GLN 31 HA GLN 31 -26.780 -1.190 5.894 265 HB2 GLN 31 2HB GLN 31 -28.473 -1.983 4.134 266 HB3 GLN 31 3HB GLN 31 -29.245 -2.859 5.448 267 HG2 GLN 31 2HG GLN 31 -29.788 -0.877 6.591 268 HG3 GLN 31 3HG GLN 31 -28.709 0.089 5.585 269 HE21 GLN 31 1HE2 GLN 31 -31.348 -2.223 5.024 270 HE22 GLN 31 2HE2 GLN 31 -32.217 -1.221 3.918 271 H ALA 32 H ALA 32 -28.469 -4.216 6.750 272 HA ALA 32 HA ALA 32 -29.106 -3.577 9.357 273 HB1 ALA 32 1HB ALA 32 -30.027 -5.526 8.291 274 HB2 ALA 32 2HB ALA 32 -28.433 -6.276 8.195 275 HB3 ALA 32 3HB ALA 32 -29.194 -6.021 9.765 276 H ALA 33 H ALA 33 -26.229 -5.369 8.244 277 HA ALA 33 HA ALA 33 -24.985 -5.747 10.679 278 HB1 ALA 33 1HB ALA 33 -23.674 -5.190 8.021 279 HB2 ALA 33 2HB ALA 33 -22.886 -5.906 9.427 280 HB3 ALA 33 3HB ALA 33 -24.194 -6.766 8.616 281 H THR 34 H THR 34 -24.717 -2.957 8.496 282 HA THR 34 HA THR 34 -22.872 -1.520 10.087 283 HB THR 34 HB THR 34 -24.852 -0.465 8.059 284 HG1 THR 34 HG1 THR 34 -22.644 -0.421 6.897 285 HG21 THR 34 3HG2 THR 34 -22.504 0.787 9.457 286 HG22 THR 34 1HG2 THR 34 -24.148 1.404 9.296 287 HG23 THR 34 2HG2 THR 34 -23.076 1.376 7.896 288 H VAL 35 H VAL 35 -26.402 -1.526 9.913 289 HA VAL 35 HA VAL 35 -26.830 0.656 11.656 290 HB VAL 35 HB VAL 35 -28.642 -1.694 11.086 291 HG11 VAL 35 1HG1 VAL 35 -29.492 -0.702 13.026 292 HG12 VAL 35 2HG1 VAL 35 -29.092 0.927 12.477 293 HG13 VAL 35 3HG1 VAL 35 -30.415 0.040 11.719 294 HG21 VAL 35 3HG2 VAL 35 -29.346 0.833 9.863 295 HG22 VAL 35 1HG2 VAL 35 -27.747 0.286 9.358 296 HG23 VAL 35 2HG2 VAL 35 -29.149 -0.758 9.127 297 H VAL 36 H VAL 36 -26.503 -2.816 12.200 298 HA VAL 36 HA VAL 36 -27.109 -2.655 15.000 299 HB VAL 36 HB VAL 36 -25.760 -4.888 13.476 300 HG11 VAL 36 1HG1 VAL 36 -26.881 -4.665 16.246 301 HG12 VAL 36 2HG1 VAL 36 -26.798 -6.222 15.420 302 HG13 VAL 36 3HG1 VAL 36 -25.323 -5.304 15.725 303 HG21 VAL 36 3HG2 VAL 36 -28.464 -3.944 13.431 304 HG22 VAL 36 1HG2 VAL 36 -27.735 -5.279 12.539 305 HG23 VAL 36 2HG2 VAL 36 -28.410 -5.556 14.145 306 H LYS 37 H LYS 37 -24.118 -3.343 13.181 307 HA LYS 37 HA LYS 37 -22.506 -2.989 15.554 308 HB2 LYS 37 2HB LYS 37 -22.010 -4.669 13.738 309 HB3 LYS 37 3HB LYS 37 -21.565 -3.319 12.703 310 HG2 LYS 37 2HG LYS 37 -19.708 -2.771 14.033 311 HG3 LYS 37 3HG LYS 37 -20.266 -3.782 15.368 312 HD2 LYS 37 2HD LYS 37 -19.467 -5.684 14.435 313 HD3 LYS 37 3HD LYS 37 -19.832 -5.156 12.790 314 HE2 LYS 37 2HE LYS 37 -17.617 -4.887 12.592 315 HE3 LYS 37 3HE LYS 37 -17.863 -3.411 13.525 316 HZ1 LYS 37 3HZ LYS 37 -16.444 -5.755 14.241 317 HZ2 LYS 37 1HZ LYS 37 -17.671 -5.457 15.367 318 HZ3 LYS 37 2HZ LYS 37 -16.515 -4.266 15.041 319 HN1 NH2 38 HN1 NH2 38 -21.432 -1.285 12.345 Start of MODEL 18 1 H1 ARG 1 H ARG 1 2.333 -1.725 1.060 2 HA ARG 1 HA ARG 1 2.215 -0.358 -0.955 3 HB2 ARG 1 2HB ARG 1 4.753 -1.682 -1.323 4 HB3 ARG 1 3HB ARG 1 3.752 -1.870 -2.757 5 HG2 ARG 1 2HG ARG 1 4.691 0.098 -3.310 6 HG3 ARG 1 3HG ARG 1 3.391 0.745 -2.308 7 HD2 ARG 1 2HD ARG 1 4.799 1.383 -0.665 8 HD3 ARG 1 3HD ARG 1 5.834 -0.030 -0.864 9 HE ARG 1 HE ARG 1 6.185 2.547 -2.062 10 HH11 ARG 1 1HH1 ARG 1 6.805 -0.859 -2.428 11 HH12 ARG 1 2HH1 ARG 1 8.192 -0.630 -3.442 12 HH21 ARG 1 1HH2 ARG 1 8.008 2.862 -3.396 13 HH22 ARG 1 2HH2 ARG 1 8.875 1.487 -3.991 14 H TRP 2 H TRP 2 3.035 -3.777 -1.565 15 HA TRP 2 HA TRP 2 0.956 -4.275 -3.350 16 HB2 TRP 2 2HB TRP 2 1.398 -6.634 -2.986 17 HB3 TRP 2 3HB TRP 2 2.922 -5.751 -3.023 18 HD1 TRP 2 HD1 TRP 2 0.559 -7.509 -0.543 19 HE1 TRP 2 HE1 TRP 2 1.910 -8.131 1.557 20 HE3 TRP 2 HE3 TRP 2 4.970 -5.198 -1.701 21 HZ2 TRP 2 HZ2 TRP 2 4.503 -7.700 2.587 22 HZ3 TRP 2 HZ3 TRP 2 6.836 -5.351 -0.104 23 HH2 TRP 2 HH2 TRP 2 6.605 -6.576 1.995 24 H LYS 3 H LYS 3 0.960 -4.130 0.114 25 HA LYS 3 HA LYS 3 -1.289 -5.640 0.742 26 HB2 LYS 3 2HB LYS 3 -0.059 -3.199 1.993 27 HB3 LYS 3 3HB LYS 3 -1.527 -3.909 2.653 28 HG2 LYS 3 2HG LYS 3 0.243 -6.044 2.313 29 HG3 LYS 3 3HG LYS 3 1.206 -4.725 2.983 30 HD2 LYS 3 2HD LYS 3 -0.845 -4.481 4.608 31 HD3 LYS 3 3HD LYS 3 -1.129 -6.164 4.156 32 HE2 LYS 3 2HE LYS 3 0.850 -6.888 5.108 33 HE3 LYS 3 3HE LYS 3 1.599 -5.296 5.011 34 HZ1 LYS 3 3HZ LYS 3 -0.210 -6.378 7.033 35 HZ2 LYS 3 1HZ LYS 3 -0.346 -4.730 6.674 36 HZ3 LYS 3 2HZ LYS 3 1.128 -5.360 7.214 37 H ILE 4 H ILE 4 -1.240 -2.084 0.431 38 HA ILE 4 HA ILE 4 -3.967 -1.670 0.407 39 HB ILE 4 HB ILE 4 -1.976 -0.082 -1.213 40 HG12 ILE 4 2HG1 ILE 4 -2.416 1.276 1.153 41 HG13 ILE 4 3HG1 ILE 4 -2.319 -0.403 1.674 42 HG21 ILE 4 1HG2 ILE 4 -3.755 1.705 -0.276 43 HG22 ILE 4 2HG2 ILE 4 -3.909 0.900 -1.836 44 HG23 ILE 4 3HG2 ILE 4 -4.795 0.290 -0.439 45 HD11 ILE 4 3HD1 ILE 4 -0.209 1.325 1.191 46 HD12 ILE 4 1HD1 ILE 4 -0.118 -0.419 1.440 47 HD13 ILE 4 2HD1 ILE 4 -0.220 0.235 -0.195 48 H PHE 5 H PHE 5 -1.844 -2.023 -2.436 49 HA PHE 5 HA PHE 5 -3.754 -1.855 -4.421 50 HB2 PHE 5 2HB PHE 5 -1.064 -3.036 -4.182 51 HB3 PHE 5 3HB PHE 5 -2.059 -3.719 -5.464 52 HD1 PHE 5 HD1 PHE 5 -2.876 -2.292 -7.292 53 HD2 PHE 5 HD2 PHE 5 -0.192 -0.829 -4.330 54 HE1 PHE 5 HE1 PHE 5 -2.327 -0.379 -8.739 55 HE2 PHE 5 HE2 PHE 5 0.360 1.086 -5.772 56 HZ PHE 5 HZ PHE 5 -0.708 1.314 -7.979 57 H LYS 6 H LYS 6 -2.472 -4.900 -3.071 58 HA LYS 6 HA LYS 6 -4.247 -6.634 -4.295 59 HB2 LYS 6 2HB LYS 6 -2.236 -7.331 -3.031 60 HB3 LYS 6 3HB LYS 6 -3.055 -6.918 -1.530 61 HG2 LYS 6 2HG LYS 6 -4.499 -8.785 -3.285 62 HG3 LYS 6 3HG LYS 6 -2.993 -9.392 -2.591 63 HD2 LYS 6 2HD LYS 6 -4.541 -7.990 -0.604 64 HD3 LYS 6 3HD LYS 6 -5.503 -9.264 -1.360 65 HE2 LYS 6 2HE LYS 6 -2.715 -9.887 -0.523 66 HE3 LYS 6 3HE LYS 6 -3.955 -9.752 0.722 67 HZ1 LYS 6 3HZ LYS 6 -4.979 -11.625 0.035 68 HZ2 LYS 6 1HZ LYS 6 -3.440 -12.006 -0.556 69 HZ3 LYS 6 2HZ LYS 6 -4.615 -11.379 -1.599 70 H LYS 7 H LYS 7 -4.602 -4.873 -1.247 71 HA LYS 7 HA LYS 7 -7.017 -6.042 -0.419 72 HB2 LYS 7 2HB LYS 7 -5.486 -4.594 0.966 73 HB3 LYS 7 3HB LYS 7 -6.142 -3.201 0.115 74 HG2 LYS 7 2HG LYS 7 -8.300 -3.546 1.026 75 HG3 LYS 7 3HG LYS 7 -7.855 -5.137 1.648 76 HD2 LYS 7 2HD LYS 7 -6.213 -2.863 2.576 77 HD3 LYS 7 3HD LYS 7 -7.881 -2.907 3.152 78 HE2 LYS 7 2HE LYS 7 -6.947 -5.524 3.408 79 HE3 LYS 7 3HE LYS 7 -5.612 -4.506 3.947 80 HZ1 LYS 7 3HZ LYS 7 -8.374 -4.597 5.011 81 HZ2 LYS 7 1HZ LYS 7 -7.307 -3.332 5.366 82 HZ3 LYS 7 2HZ LYS 7 -6.929 -4.913 5.831 83 H ILE 8 H ILE 8 -6.622 -2.766 -1.780 84 HA ILE 8 HA ILE 8 -9.281 -2.246 -2.287 85 HB ILE 8 HB ILE 8 -6.928 -1.336 -3.948 86 HG12 ILE 8 2HG1 ILE 8 -8.291 0.031 -1.619 87 HG13 ILE 8 3HG1 ILE 8 -6.765 -0.840 -1.507 88 HG21 ILE 8 1HG2 ILE 8 -8.992 0.596 -3.822 89 HG22 ILE 8 2HG2 ILE 8 -8.391 -0.275 -5.232 90 HG23 ILE 8 3HG2 ILE 8 -9.723 -0.940 -4.287 91 HD11 ILE 8 3HD1 ILE 8 -6.452 1.579 -1.654 92 HD12 ILE 8 1HD1 ILE 8 -5.728 0.735 -3.023 93 HD13 ILE 8 2HD1 ILE 8 -7.263 1.583 -3.220 94 H GLU 9 H GLU 9 -6.942 -3.942 -4.323 95 HA GLU 9 HA GLU 9 -8.588 -4.190 -6.600 96 HB2 GLU 9 2HB GLU 9 -6.222 -4.540 -6.809 97 HB3 GLU 9 3HB GLU 9 -6.257 -5.841 -5.627 98 HG2 GLU 9 2HG GLU 9 -7.500 -7.244 -7.136 99 HG3 GLU 9 3HG GLU 9 -7.629 -5.929 -8.303 100 H LYS 10 H LYS 10 -7.939 -6.429 -3.916 101 HA LYS 10 HA LYS 10 -9.648 -8.483 -4.811 102 HB2 LYS 10 2HB LYS 10 -7.956 -8.954 -3.162 103 HB3 LYS 10 3HB LYS 10 -8.652 -7.786 -2.046 104 HG2 LYS 10 2HG LYS 10 -10.279 -9.198 -1.362 105 HG3 LYS 10 3HG LYS 10 -10.423 -9.974 -2.941 106 HD2 LYS 10 2HD LYS 10 -7.937 -10.380 -1.342 107 HD3 LYS 10 3HD LYS 10 -9.398 -11.266 -0.900 108 HE2 LYS 10 2HE LYS 10 -8.933 -11.346 -3.752 109 HE3 LYS 10 3HE LYS 10 -7.540 -11.953 -2.859 110 HZ1 LYS 10 3HZ LYS 10 -10.325 -12.950 -2.799 111 HZ2 LYS 10 1HZ LYS 10 -9.206 -13.352 -1.595 112 HZ3 LYS 10 2HZ LYS 10 -8.916 -13.796 -3.202 113 H VAL 11 H VAL 11 -10.167 -6.120 -2.184 114 HA VAL 11 HA VAL 11 -12.823 -6.721 -1.661 115 HB VAL 11 HB VAL 11 -11.387 -5.220 -0.281 116 HG11 VAL 11 1HG1 VAL 11 -10.693 -3.889 -2.389 117 HG12 VAL 11 2HG1 VAL 11 -12.172 -2.972 -2.095 118 HG13 VAL 11 3HG1 VAL 11 -10.908 -3.027 -0.866 119 HG21 VAL 11 3HG2 VAL 11 -13.210 -4.314 0.696 120 HG22 VAL 11 1HG2 VAL 11 -13.773 -3.571 -0.801 121 HG23 VAL 11 2HG2 VAL 11 -14.077 -5.282 -0.497 122 H GLY 12 H GLY 12 -11.424 -4.814 -4.233 123 HA2 GLY 12 2HA GLY 12 -13.761 -3.447 -5.044 124 HA3 GLY 12 3HA GLY 12 -12.353 -3.757 -6.048 125 H ARG 13 H ARG 13 -12.255 -6.388 -6.385 126 HA ARG 13 HA ARG 13 -14.448 -6.888 -8.146 127 HB2 ARG 13 2HB ARG 13 -12.004 -8.433 -7.336 128 HB3 ARG 13 3HB ARG 13 -13.260 -9.191 -8.305 129 HG2 ARG 13 2HG ARG 13 -12.943 -7.046 -9.795 130 HG3 ARG 13 3HG ARG 13 -11.357 -7.026 -9.020 131 HD2 ARG 13 2HD ARG 13 -10.850 -8.357 -10.789 132 HD3 ARG 13 3HD ARG 13 -11.442 -9.600 -9.688 133 HE ARG 13 HE ARG 13 -13.232 -9.929 -11.077 134 HH11 ARG 13 1HH1 ARG 13 -11.690 -6.916 -11.892 135 HH12 ARG 13 2HH1 ARG 13 -12.637 -6.668 -13.322 136 HH21 ARG 13 1HH2 ARG 13 -14.484 -9.614 -12.957 137 HH22 ARG 13 2HH2 ARG 13 -14.226 -8.203 -13.926 138 H ASN 14 H ASN 14 -13.567 -7.903 -4.921 139 HA ASN 14 HA ASN 14 -15.178 -10.145 -4.614 140 HB2 ASN 14 2HB ASN 14 -13.502 -9.331 -2.956 141 HB3 ASN 14 3HB ASN 14 -14.619 -8.044 -2.509 142 HD21 ASN 14 1HD2 ASN 14 -14.536 -8.909 -0.373 143 HD22 ASN 14 2HD2 ASN 14 -15.495 -10.283 0.048 144 H VAL 15 H VAL 15 -15.998 -6.835 -3.555 145 HA VAL 15 HA VAL 15 -18.644 -7.267 -2.908 146 HB VAL 15 HB VAL 15 -17.571 -4.751 -4.189 147 HG11 VAL 15 1HG1 VAL 15 -19.758 -4.226 -4.040 148 HG12 VAL 15 2HG1 VAL 15 -20.087 -5.480 -2.844 149 HG13 VAL 15 3HG1 VAL 15 -19.368 -3.950 -2.343 150 HG21 VAL 15 3HG2 VAL 15 -16.803 -6.011 -1.760 151 HG22 VAL 15 1HG2 VAL 15 -16.288 -4.452 -2.403 152 HG23 VAL 15 2HG2 VAL 15 -17.708 -4.551 -1.362 153 H ARG 16 H ARG 16 -17.429 -6.015 -6.023 154 HA ARG 16 HA ARG 16 -19.823 -5.910 -7.389 155 HB2 ARG 16 2HB ARG 16 -17.090 -5.679 -8.031 156 HB3 ARG 16 3HB ARG 16 -17.752 -6.866 -9.147 157 HG2 ARG 16 2HG ARG 16 -18.149 -4.973 -10.333 158 HG3 ARG 16 3HG ARG 16 -19.647 -5.043 -9.402 159 HD2 ARG 16 2HD ARG 16 -17.404 -3.644 -8.104 160 HD3 ARG 16 3HD ARG 16 -18.047 -2.868 -9.551 161 HE ARG 16 HE ARG 16 -20.245 -3.496 -8.040 162 HH11 ARG 16 1HH1 ARG 16 -17.344 -1.630 -7.569 163 HH12 ARG 16 2HH1 ARG 16 -18.082 -0.518 -6.464 164 HH21 ARG 16 1HH2 ARG 16 -21.228 -2.039 -6.585 165 HH22 ARG 16 2HH2 ARG 16 -20.291 -0.753 -5.904 166 H ASP 17 H ASP 17 -17.479 -8.597 -7.551 167 HA ASP 17 HA ASP 17 -19.008 -10.368 -9.017 168 HB2 ASP 17 2HB ASP 17 -16.897 -10.799 -6.917 169 HB3 ASP 17 3HB ASP 17 -17.677 -12.160 -7.717 170 H GLY 18 H GLY 18 -19.000 -9.821 -5.520 171 HA2 GLY 18 2HA GLY 18 -20.753 -11.938 -4.854 172 HA3 GLY 18 3HA GLY 18 -20.432 -10.520 -3.866 173 H ILE 19 H ILE 19 -21.353 -8.514 -5.562 174 HA ILE 19 HA ILE 19 -24.148 -8.648 -5.058 175 HB ILE 19 HB ILE 19 -22.596 -6.651 -6.709 176 HG12 ILE 19 2HG1 ILE 19 -23.637 -6.229 -3.921 177 HG13 ILE 19 3HG1 ILE 19 -22.074 -6.993 -4.189 178 HG21 ILE 19 1HG2 ILE 19 -25.423 -6.656 -5.688 179 HG22 ILE 19 2HG2 ILE 19 -24.586 -5.183 -6.176 180 HG23 ILE 19 3HG2 ILE 19 -24.862 -6.471 -7.349 181 HD11 ILE 19 3HD1 ILE 19 -22.001 -4.539 -3.748 182 HD12 ILE 19 1HD1 ILE 19 -21.218 -5.048 -5.244 183 HD13 ILE 19 2HD1 ILE 19 -22.815 -4.300 -5.294 184 H ILE 20 H ILE 20 -22.151 -9.078 -7.918 185 HA ILE 20 HA ILE 20 -24.343 -9.151 -9.756 186 HB ILE 20 HB ILE 20 -21.514 -10.157 -10.091 187 HG12 ILE 20 2HG1 ILE 20 -22.661 -7.622 -11.233 188 HG13 ILE 20 3HG1 ILE 20 -21.973 -7.654 -9.613 189 HG21 ILE 20 1HG2 ILE 20 -22.843 -11.238 -11.718 190 HG22 ILE 20 2HG2 ILE 20 -23.761 -9.770 -12.051 191 HG23 ILE 20 3HG2 ILE 20 -22.071 -9.883 -12.542 192 HD11 ILE 20 3HD1 ILE 20 -20.116 -8.896 -11.333 193 HD12 ILE 20 1HD1 ILE 20 -20.650 -7.408 -12.114 194 HD13 ILE 20 2HD1 ILE 20 -19.970 -7.356 -10.487 195 H LYS 21 H LYS 21 -22.328 -11.603 -8.174 196 HA LYS 21 HA LYS 21 -23.332 -13.875 -9.411 197 HB2 LYS 21 2HB LYS 21 -22.138 -13.345 -6.717 198 HB3 LYS 21 3HB LYS 21 -22.811 -14.933 -7.063 199 HG2 LYS 21 2HG LYS 21 -21.026 -13.936 -9.147 200 HG3 LYS 21 3HG LYS 21 -20.249 -14.148 -7.576 201 HD2 LYS 21 2HD LYS 21 -21.998 -16.367 -8.287 202 HD3 LYS 21 3HD LYS 21 -20.691 -16.123 -9.448 203 HE2 LYS 21 2HE LYS 21 -19.155 -16.007 -7.400 204 HE3 LYS 21 3HE LYS 21 -20.511 -16.693 -6.506 205 HZ1 LYS 21 3HZ LYS 21 -19.632 -18.635 -7.137 206 HZ2 LYS 21 1HZ LYS 21 -18.720 -17.950 -8.387 207 HZ3 LYS 21 2HZ LYS 21 -20.350 -18.324 -8.637 208 H ALA 22 H ALA 22 -24.230 -13.018 -6.078 209 HA ALA 22 HA ALA 22 -26.793 -14.331 -6.432 210 HB1 ALA 22 1HB ALA 22 -26.762 -13.203 -3.898 211 HB2 ALA 22 2HB ALA 22 -26.352 -14.867 -4.318 212 HB3 ALA 22 3HB ALA 22 -25.082 -13.649 -4.201 213 H GLY 23 H GLY 23 -26.057 -11.288 -4.741 214 HA2 GLY 23 2HA GLY 23 -27.453 -9.557 -6.432 215 HA3 GLY 23 3HA GLY 23 -28.601 -10.175 -5.254 216 HA PRO 24 HA PRO 24 -26.537 -6.397 -3.500 217 HB2 PRO 24 2HB PRO 24 -28.846 -5.192 -2.735 218 HB3 PRO 24 3HB PRO 24 -28.153 -5.003 -4.350 219 HG2 PRO 24 2HG PRO 24 -30.368 -6.798 -3.436 220 HG3 PRO 24 3HG PRO 24 -30.262 -5.810 -4.905 221 HD2 PRO 24 2HD PRO 24 -29.779 -8.474 -4.904 222 HD3 PRO 24 3HD PRO 24 -28.946 -7.353 -6.000 223 H ALA 25 H ALA 25 -25.829 -8.050 -1.935 224 HA ALA 25 HA ALA 25 -27.619 -8.389 0.363 225 HB1 ALA 25 1HB ALA 25 -26.630 -10.362 0.746 226 HB2 ALA 25 2HB ALA 25 -26.023 -10.199 -0.902 227 HB3 ALA 25 3HB ALA 25 -25.013 -9.719 0.462 228 H VAL 26 H VAL 26 -24.368 -7.253 -0.474 229 HA VAL 26 HA VAL 26 -23.397 -6.600 2.021 230 HB VAL 26 HB VAL 26 -22.036 -6.413 0.008 231 HG11 VAL 26 1HG1 VAL 26 -22.284 -4.609 -1.566 232 HG12 VAL 26 2HG1 VAL 26 -23.817 -5.475 -1.444 233 HG13 VAL 26 3HG1 VAL 26 -23.612 -3.923 -0.631 234 HG21 VAL 26 3HG2 VAL 26 -21.731 -4.960 2.178 235 HG22 VAL 26 1HG2 VAL 26 -20.703 -4.707 0.767 236 HG23 VAL 26 2HG2 VAL 26 -22.065 -3.628 1.070 237 H ALA 27 H ALA 27 -25.728 -4.875 0.046 238 HA ALA 27 HA ALA 27 -25.738 -2.472 1.560 239 HB1 ALA 27 1HB ALA 27 -27.966 -3.565 -0.149 240 HB2 ALA 27 2HB ALA 27 -27.704 -1.885 0.321 241 HB3 ALA 27 3HB ALA 27 -26.574 -2.681 -0.774 242 H VAL 28 H VAL 28 -28.206 -5.048 1.369 243 HA VAL 28 HA VAL 28 -29.752 -4.196 3.518 244 HB VAL 28 HB VAL 28 -30.586 -5.866 1.985 245 HG11 VAL 28 1HG1 VAL 28 -28.466 -7.011 1.536 246 HG12 VAL 28 2HG1 VAL 28 -28.514 -7.725 3.149 247 HG13 VAL 28 3HG1 VAL 28 -29.744 -8.151 1.958 248 HG21 VAL 28 3HG2 VAL 28 -30.334 -7.147 4.701 249 HG22 VAL 28 1HG2 VAL 28 -31.417 -5.801 4.345 250 HG23 VAL 28 2HG2 VAL 28 -31.639 -7.350 3.533 251 H VAL 29 H VAL 29 -26.877 -6.221 3.453 252 HA VAL 29 HA VAL 29 -27.030 -7.000 6.198 253 HB VAL 29 HB VAL 29 -24.676 -7.028 4.305 254 HG11 VAL 29 1HG1 VAL 29 -23.497 -7.371 6.179 255 HG12 VAL 29 2HG1 VAL 29 -24.941 -7.694 7.141 256 HG13 VAL 29 3HG1 VAL 29 -24.226 -8.976 6.164 257 HG21 VAL 29 3HG2 VAL 29 -25.849 -9.578 5.055 258 HG22 VAL 29 1HG2 VAL 29 -26.992 -8.529 4.216 259 HG23 VAL 29 2HG2 VAL 29 -25.454 -8.942 3.458 260 H GLY 30 H GLY 30 -24.836 -4.777 4.462 261 HA2 GLY 30 2HA GLY 30 -23.542 -3.750 6.711 262 HA3 GLY 30 3HA GLY 30 -23.703 -2.913 5.175 263 H GLN 31 H GLN 31 -26.337 -2.396 4.965 264 HA GLN 31 HA GLN 31 -26.702 -0.147 6.566 265 HB2 GLN 31 2HB GLN 31 -27.833 -0.708 4.357 266 HB3 GLN 31 3HB GLN 31 -28.950 -1.697 5.287 267 HG2 GLN 31 2HG GLN 31 -29.784 0.189 6.456 268 HG3 GLN 31 3HG GLN 31 -28.502 1.224 5.828 269 HE21 GLN 31 1HE2 GLN 31 -31.451 1.414 5.670 270 HE22 GLN 31 2HE2 GLN 31 -31.809 1.554 3.986 271 H ALA 32 H ALA 32 -28.534 -3.207 6.740 272 HA ALA 32 HA ALA 32 -29.936 -2.664 9.070 273 HB1 ALA 32 1HB ALA 32 -30.326 -4.578 7.513 274 HB2 ALA 32 2HB ALA 32 -28.946 -5.389 8.256 275 HB3 ALA 32 3HB ALA 32 -30.370 -5.005 9.224 276 H ALA 33 H ALA 33 -26.803 -4.312 8.710 277 HA ALA 33 HA ALA 33 -26.352 -4.867 11.408 278 HB1 ALA 33 1HB ALA 33 -24.030 -5.144 10.821 279 HB2 ALA 33 2HB ALA 33 -25.040 -5.802 9.533 280 HB3 ALA 33 3HB ALA 33 -24.263 -4.232 9.329 281 H THR 34 H THR 34 -25.477 -2.014 9.488 282 HA THR 34 HA THR 34 -24.108 -0.669 11.568 283 HB THR 34 HB THR 34 -25.462 0.497 9.127 284 HG1 THR 34 HG1 THR 34 -22.787 -0.369 9.599 285 HG21 THR 34 3HG2 THR 34 -23.573 2.248 9.560 286 HG22 THR 34 1HG2 THR 34 -23.655 1.647 11.215 287 HG23 THR 34 2HG2 THR 34 -25.085 2.351 10.460 288 H VAL 35 H VAL 35 -27.461 -0.602 10.453 289 HA VAL 35 HA VAL 35 -28.303 1.518 12.137 290 HB VAL 35 HB VAL 35 -29.938 -0.701 10.899 291 HG11 VAL 35 1HG1 VAL 35 -31.293 0.183 12.582 292 HG12 VAL 35 2HG1 VAL 35 -30.698 1.825 12.327 293 HG13 VAL 35 3HG1 VAL 35 -31.771 1.080 11.141 294 HG21 VAL 35 3HG2 VAL 35 -28.538 1.341 9.653 295 HG22 VAL 35 1HG2 VAL 35 -29.858 0.397 8.962 296 HG23 VAL 35 2HG2 VAL 35 -30.193 1.943 9.740 297 H VAL 36 H VAL 36 -28.293 -1.999 12.485 298 HA VAL 36 HA VAL 36 -29.669 -1.998 14.991 299 HB VAL 36 HB VAL 36 -27.964 -4.151 13.730 300 HG11 VAL 36 1HG1 VAL 36 -29.519 -5.573 15.268 301 HG12 VAL 36 2HG1 VAL 36 -28.076 -4.808 15.938 302 HG13 VAL 36 3HG1 VAL 36 -29.661 -4.074 16.186 303 HG21 VAL 36 3HG2 VAL 36 -30.809 -4.628 13.772 304 HG22 VAL 36 1HG2 VAL 36 -30.428 -3.133 12.917 305 HG23 VAL 36 2HG2 VAL 36 -29.686 -4.652 12.412 306 H LYS 37 H LYS 37 -26.269 -2.532 14.072 307 HA LYS 37 HA LYS 37 -25.270 -2.785 16.684 308 HB2 LYS 37 2HB LYS 37 -24.070 -3.424 14.579 309 HB3 LYS 37 3HB LYS 37 -23.787 -1.715 14.278 310 HG2 LYS 37 2HG LYS 37 -22.184 -1.557 15.867 311 HG3 LYS 37 3HG LYS 37 -22.944 -2.760 16.912 312 HD2 LYS 37 2HD LYS 37 -21.785 -4.456 15.999 313 HD3 LYS 37 3HD LYS 37 -21.961 -3.822 14.361 314 HE2 LYS 37 2HE LYS 37 -20.192 -2.180 14.827 315 HE3 LYS 37 3HE LYS 37 -20.005 -2.854 16.446 316 HZ1 LYS 37 3HZ LYS 37 -18.344 -3.860 15.182 317 HZ2 LYS 37 1HZ LYS 37 -19.357 -4.111 13.850 318 HZ3 LYS 37 2HZ LYS 37 -19.557 -5.036 15.252 319 HN1 NH2 38 HN1 NH2 38 -25.427 0.460 14.644 Start of MODEL 19 1 H1 ARG 1 H ARG 1 2.433 -0.775 -4.308 2 HA ARG 1 HA ARG 1 3.186 -1.925 -1.704 3 HB2 ARG 1 2HB ARG 1 1.680 0.464 -2.488 4 HB3 ARG 1 3HB ARG 1 0.874 -0.502 -1.260 5 HG2 ARG 1 2HG ARG 1 3.649 -0.218 -0.605 6 HG3 ARG 1 3HG ARG 1 2.927 1.365 -0.903 7 HD2 ARG 1 2HD ARG 1 1.536 -0.643 0.827 8 HD3 ARG 1 3HD ARG 1 2.836 0.352 1.482 9 HE ARG 1 HE ARG 1 0.171 1.195 0.827 10 HH11 ARG 1 1HH1 ARG 1 3.474 2.221 1.221 11 HH12 ARG 1 2HH1 ARG 1 3.060 3.868 1.560 12 HH21 ARG 1 1HH2 ARG 1 -0.388 3.362 1.272 13 HH22 ARG 1 2HH2 ARG 1 0.863 4.516 1.590 14 H TRP 2 H TRP 2 2.181 -3.701 -1.025 15 HA TRP 2 HA TRP 2 0.193 -4.947 -2.680 16 HB2 TRP 2 2HB TRP 2 1.405 -5.748 -0.028 17 HB3 TRP 2 3HB TRP 2 0.262 -6.742 -0.926 18 HD1 TRP 2 HD1 TRP 2 1.231 -7.040 -3.697 19 HE1 TRP 2 HE1 TRP 2 3.574 -7.891 -4.337 20 HE3 TRP 2 HE3 TRP 2 3.676 -6.056 0.683 21 HZ2 TRP 2 HZ2 TRP 2 6.121 -8.117 -3.142 22 HZ3 TRP 2 HZ3 TRP 2 6.065 -6.621 0.853 23 HH2 TRP 2 HH2 TRP 2 7.260 -7.630 -1.021 24 H LYS 3 H LYS 3 0.233 -3.198 0.352 25 HA LYS 3 HA LYS 3 -2.242 -3.888 1.397 26 HB2 LYS 3 2HB LYS 3 -0.407 -2.382 2.387 27 HB3 LYS 3 3HB LYS 3 -1.171 -1.076 1.491 28 HG2 LYS 3 2HG LYS 3 -2.534 -0.783 3.208 29 HG3 LYS 3 3HG LYS 3 -3.246 -2.359 2.854 30 HD2 LYS 3 2HD LYS 3 -0.942 -3.011 4.209 31 HD3 LYS 3 3HD LYS 3 -1.483 -1.545 5.031 32 HE2 LYS 3 2HE LYS 3 -3.819 -2.908 4.787 33 HE3 LYS 3 3HE LYS 3 -2.670 -4.233 4.969 34 HZ1 LYS 3 3HZ LYS 3 -2.915 -3.834 7.141 35 HZ2 LYS 3 1HZ LYS 3 -3.552 -2.284 6.903 36 HZ3 LYS 3 2HZ LYS 3 -1.878 -2.522 6.887 37 H ILE 4 H ILE 4 -1.600 -0.906 -0.457 38 HA ILE 4 HA ILE 4 -4.233 -0.176 -0.885 39 HB ILE 4 HB ILE 4 -1.914 0.269 -2.769 40 HG12 ILE 4 2HG1 ILE 4 -1.443 1.072 -0.501 41 HG13 ILE 4 3HG1 ILE 4 -1.663 2.422 -1.609 42 HG21 ILE 4 1HG2 ILE 4 -4.708 1.215 -2.724 43 HG22 ILE 4 2HG2 ILE 4 -3.479 2.430 -3.070 44 HG23 ILE 4 3HG2 ILE 4 -3.606 0.992 -4.082 45 HD11 ILE 4 3HD1 ILE 4 -4.193 1.894 -0.544 46 HD12 ILE 4 1HD1 ILE 4 -3.065 1.803 0.808 47 HD13 ILE 4 2HD1 ILE 4 -3.133 3.258 -0.188 48 H PHE 5 H PHE 5 -2.133 -2.097 -3.026 49 HA PHE 5 HA PHE 5 -3.907 -2.535 -5.099 50 HB2 PHE 5 2HB PHE 5 -1.458 -3.771 -4.120 51 HB3 PHE 5 3HB PHE 5 -2.534 -4.941 -4.876 52 HD1 PHE 5 HD1 PHE 5 -0.967 -1.619 -5.452 53 HD2 PHE 5 HD2 PHE 5 -2.557 -5.170 -7.178 54 HE1 PHE 5 HE1 PHE 5 -0.203 -0.878 -7.670 55 HE2 PHE 5 HE2 PHE 5 -1.795 -4.435 -9.399 56 HZ PHE 5 HZ PHE 5 -0.616 -2.287 -9.647 57 H LYS 6 H LYS 6 -3.256 -4.868 -2.478 58 HA LYS 6 HA LYS 6 -5.341 -6.607 -3.012 59 HB2 LYS 6 2HB LYS 6 -3.413 -6.867 -1.351 60 HB3 LYS 6 3HB LYS 6 -4.412 -5.970 -0.216 61 HG2 LYS 6 2HG LYS 6 -6.010 -7.664 -0.098 62 HG3 LYS 6 3HG LYS 6 -5.435 -8.435 -1.578 63 HD2 LYS 6 2HD LYS 6 -3.752 -8.225 0.909 64 HD3 LYS 6 3HD LYS 6 -4.834 -9.586 0.601 65 HE2 LYS 6 2HE LYS 6 -3.266 -9.107 -1.733 66 HE3 LYS 6 3HE LYS 6 -2.192 -9.189 -0.337 67 HZ1 LYS 6 3HZ LYS 6 -4.249 -11.234 -0.962 68 HZ2 LYS 6 1HZ LYS 6 -3.046 -11.326 0.224 69 HZ3 LYS 6 2HZ LYS 6 -2.623 -11.361 -1.413 70 H LYS 7 H LYS 7 -5.329 -3.706 -0.983 71 HA LYS 7 HA LYS 7 -7.903 -3.949 0.081 72 HB2 LYS 7 2HB LYS 7 -6.171 -2.327 0.842 73 HB3 LYS 7 3HB LYS 7 -6.458 -1.386 -0.616 74 HG2 LYS 7 2HG LYS 7 -7.764 -0.262 0.882 75 HG3 LYS 7 3HG LYS 7 -8.937 -1.407 0.228 76 HD2 LYS 7 2HD LYS 7 -7.888 -2.858 2.261 77 HD3 LYS 7 3HD LYS 7 -7.759 -1.225 2.920 78 HE2 LYS 7 2HE LYS 7 -10.297 -1.350 1.770 79 HE3 LYS 7 3HE LYS 7 -10.088 -2.900 2.584 80 HZ1 LYS 7 3HZ LYS 7 -9.235 -0.619 4.132 81 HZ2 LYS 7 1HZ LYS 7 -10.181 -1.946 4.588 82 HZ3 LYS 7 2HZ LYS 7 -10.891 -0.636 3.787 83 H ILE 8 H ILE 8 -6.963 -1.703 -2.527 84 HA ILE 8 HA ILE 8 -9.506 -1.059 -3.387 85 HB ILE 8 HB ILE 8 -7.035 -1.302 -5.108 86 HG12 ILE 8 2HG1 ILE 8 -6.689 0.159 -3.171 87 HG13 ILE 8 3HG1 ILE 8 -6.754 1.100 -4.658 88 HG21 ILE 8 1HG2 ILE 8 -8.525 -0.936 -6.749 89 HG22 ILE 8 2HG2 ILE 8 -9.769 -0.377 -5.633 90 HG23 ILE 8 3HG2 ILE 8 -8.498 0.726 -6.159 91 HD11 ILE 8 3HD1 ILE 8 -9.071 1.705 -4.161 92 HD12 ILE 8 1HD1 ILE 8 -8.981 0.783 -2.660 93 HD13 ILE 8 2HD1 ILE 8 -7.965 2.208 -2.883 94 H GLU 9 H GLU 9 -7.453 -3.760 -4.397 95 HA GLU 9 HA GLU 9 -9.088 -4.722 -6.464 96 HB2 GLU 9 2HB GLU 9 -7.052 -6.037 -4.683 97 HB3 GLU 9 3HB GLU 9 -7.933 -6.954 -5.897 98 HG2 GLU 9 2HG GLU 9 -6.331 -4.493 -6.532 99 HG3 GLU 9 3HG GLU 9 -5.669 -6.126 -6.584 100 H LYS 10 H LYS 10 -8.932 -5.646 -3.034 101 HA LYS 10 HA LYS 10 -11.004 -7.564 -3.163 102 HB2 LYS 10 2HB LYS 10 -9.230 -7.225 -1.334 103 HB3 LYS 10 3HB LYS 10 -10.301 -5.983 -0.698 104 HG2 LYS 10 2HG LYS 10 -10.880 -7.849 0.534 105 HG3 LYS 10 3HG LYS 10 -12.100 -7.831 -0.742 106 HD2 LYS 10 2HD LYS 10 -10.963 -9.541 -1.956 107 HD3 LYS 10 3HD LYS 10 -9.554 -9.435 -0.898 108 HE2 LYS 10 2HE LYS 10 -11.108 -10.110 0.992 109 HE3 LYS 10 3HE LYS 10 -12.292 -10.503 -0.254 110 HZ1 LYS 10 3HZ LYS 10 -10.378 -12.177 0.698 111 HZ2 LYS 10 1HZ LYS 10 -9.712 -11.646 -0.764 112 HZ3 LYS 10 2HZ LYS 10 -11.234 -12.383 -0.746 113 H VAL 11 H VAL 11 -11.046 -4.274 -1.774 114 HA VAL 11 HA VAL 11 -13.770 -4.114 -1.278 115 HB VAL 11 HB VAL 11 -11.924 -1.863 -2.088 116 HG11 VAL 11 1HG1 VAL 11 -14.730 -1.944 -1.119 117 HG12 VAL 11 2HG1 VAL 11 -13.682 -0.658 -0.515 118 HG13 VAL 11 3HG1 VAL 11 -13.953 -0.835 -2.250 119 HG21 VAL 11 3HG2 VAL 11 -12.326 -1.690 0.618 120 HG22 VAL 11 1HG2 VAL 11 -12.220 -3.431 0.357 121 HG23 VAL 11 2HG2 VAL 11 -10.903 -2.380 -0.163 122 H GLY 12 H GLY 12 -12.011 -3.716 -4.273 123 HA2 GLY 12 2HA GLY 12 -14.185 -2.515 -5.711 124 HA3 GLY 12 3HA GLY 12 -12.708 -3.166 -6.406 125 H ARG 13 H ARG 13 -12.866 -5.797 -5.473 126 HA ARG 13 HA ARG 13 -14.691 -6.890 -7.379 127 HB2 ARG 13 2HB ARG 13 -12.767 -8.067 -5.395 128 HB3 ARG 13 3HB ARG 13 -13.894 -9.095 -6.270 129 HG2 ARG 13 2HG ARG 13 -12.970 -8.166 -8.396 130 HG3 ARG 13 3HG ARG 13 -11.742 -7.345 -7.431 131 HD2 ARG 13 2HD ARG 13 -12.127 -10.261 -7.015 132 HD3 ARG 13 3HD ARG 13 -11.330 -9.737 -8.497 133 HE ARG 13 HE ARG 13 -10.121 -8.409 -6.365 134 HH11 ARG 13 1HH1 ARG 13 -10.481 -11.655 -7.572 135 HH12 ARG 13 2HH1 ARG 13 -8.972 -12.204 -6.921 136 HH21 ARG 13 1HH2 ARG 13 -8.133 -9.120 -5.504 137 HH22 ARG 13 2HH2 ARG 13 -7.638 -10.761 -5.744 138 H ASN 14 H ASN 14 -14.674 -6.472 -3.904 139 HA ASN 14 HA ASN 14 -16.635 -8.241 -3.108 140 HB2 ASN 14 2HB ASN 14 -15.547 -5.703 -2.090 141 HB3 ASN 14 3HB ASN 14 -17.179 -6.067 -1.539 142 HD21 ASN 14 1HD2 ASN 14 -17.520 -7.748 -0.148 143 HD22 ASN 14 2HD2 ASN 14 -16.239 -8.619 0.616 144 H VAL 15 H VAL 15 -17.158 -4.822 -3.990 145 HA VAL 15 HA VAL 15 -19.937 -4.854 -3.924 146 HB VAL 15 HB VAL 15 -18.265 -3.212 -5.827 147 HG11 VAL 15 1HG1 VAL 15 -20.379 -1.701 -4.863 148 HG12 VAL 15 2HG1 VAL 15 -20.258 -2.442 -6.460 149 HG13 VAL 15 3HG1 VAL 15 -21.081 -3.293 -5.153 150 HG21 VAL 15 3HG2 VAL 15 -17.253 -2.606 -3.879 151 HG22 VAL 15 1HG2 VAL 15 -18.653 -1.537 -3.798 152 HG23 VAL 15 2HG2 VAL 15 -18.644 -3.048 -2.889 153 H ARG 16 H ARG 16 -17.832 -5.206 -6.784 154 HA ARG 16 HA ARG 16 -19.769 -5.660 -8.690 155 HB2 ARG 16 2HB ARG 16 -16.922 -6.077 -8.450 156 HB3 ARG 16 3HB ARG 16 -17.661 -7.392 -9.353 157 HG2 ARG 16 2HG ARG 16 -18.217 -4.521 -10.014 158 HG3 ARG 16 3HG ARG 16 -16.816 -5.377 -10.663 159 HD2 ARG 16 2HD ARG 16 -18.589 -7.172 -11.335 160 HD3 ARG 16 3HD ARG 16 -19.725 -5.835 -11.166 161 HE ARG 16 HE ARG 16 -18.887 -4.918 -13.093 162 HH11 ARG 16 1HH1 ARG 16 -16.731 -7.408 -11.966 163 HH12 ARG 16 2HH1 ARG 16 -15.754 -7.390 -13.397 164 HH21 ARG 16 1HH2 ARG 16 -17.609 -4.886 -14.981 165 HH22 ARG 16 2HH2 ARG 16 -16.253 -5.955 -15.111 166 H ASP 17 H ASP 17 -17.906 -8.244 -7.079 167 HA ASP 17 HA ASP 17 -19.387 -10.395 -7.973 168 HB2 ASP 17 2HB ASP 17 -17.832 -9.967 -5.428 169 HB3 ASP 17 3HB ASP 17 -18.617 -11.503 -5.785 170 H GLY 18 H GLY 18 -19.888 -8.471 -5.024 171 HA2 GLY 18 2HA GLY 18 -22.036 -9.903 -3.970 172 HA3 GLY 18 3HA GLY 18 -21.743 -8.191 -3.702 173 H ILE 19 H ILE 19 -22.084 -7.149 -6.218 174 HA ILE 19 HA ILE 19 -24.915 -7.041 -6.402 175 HB ILE 19 HB ILE 19 -22.828 -6.000 -8.322 176 HG12 ILE 19 2HG1 ILE 19 -24.414 -4.385 -6.340 177 HG13 ILE 19 3HG1 ILE 19 -22.908 -5.168 -5.872 178 HG21 ILE 19 1HG2 ILE 19 -24.659 -5.866 -9.651 179 HG22 ILE 19 2HG2 ILE 19 -25.783 -5.874 -8.292 180 HG23 ILE 19 3HG2 ILE 19 -24.924 -4.393 -8.718 181 HD11 ILE 19 3HD1 ILE 19 -23.136 -3.256 -8.178 182 HD12 ILE 19 1HD1 ILE 19 -22.706 -2.771 -6.538 183 HD13 ILE 19 2HD1 ILE 19 -21.666 -3.881 -7.431 184 H ILE 20 H ILE 20 -22.475 -8.182 -8.744 185 HA ILE 20 HA ILE 20 -24.189 -9.206 -10.652 186 HB ILE 20 HB ILE 20 -21.503 -10.324 -9.838 187 HG12 ILE 20 2HG1 ILE 20 -21.469 -7.926 -10.454 188 HG13 ILE 20 3HG1 ILE 20 -20.598 -8.924 -11.613 189 HG21 ILE 20 1HG2 ILE 20 -21.572 -10.972 -12.363 190 HG22 ILE 20 2HG2 ILE 20 -22.372 -11.992 -11.168 191 HG23 ILE 20 3HG2 ILE 20 -23.319 -10.869 -12.144 192 HD11 ILE 20 3HD1 ILE 20 -22.660 -7.082 -12.105 193 HD12 ILE 20 1HD1 ILE 20 -21.841 -8.136 -13.257 194 HD13 ILE 20 2HD1 ILE 20 -23.310 -8.684 -12.449 195 H LYS 21 H LYS 21 -22.804 -10.883 -7.839 196 HA LYS 21 HA LYS 21 -24.165 -13.334 -8.354 197 HB2 LYS 21 2HB LYS 21 -22.082 -13.236 -7.051 198 HB3 LYS 21 3HB LYS 21 -22.906 -12.312 -5.801 199 HG2 LYS 21 2HG LYS 21 -24.512 -14.377 -5.757 200 HG3 LYS 21 3HG LYS 21 -23.131 -15.200 -6.484 201 HD2 LYS 21 2HD LYS 21 -21.790 -14.867 -4.617 202 HD3 LYS 21 3HD LYS 21 -22.771 -13.522 -4.031 203 HE2 LYS 21 2HE LYS 21 -24.373 -14.910 -3.130 204 HE3 LYS 21 3HE LYS 21 -23.990 -16.237 -4.225 205 HZ1 LYS 21 3HZ LYS 21 -22.438 -17.030 -2.844 206 HZ2 LYS 21 1HZ LYS 21 -23.217 -16.107 -1.659 207 HZ3 LYS 21 2HZ LYS 21 -21.845 -15.499 -2.439 208 H ALA 22 H ALA 22 -24.522 -11.264 -5.479 209 HA ALA 22 HA ALA 22 -27.228 -12.184 -5.099 210 HB1 ALA 22 1HB ALA 22 -26.809 -10.101 -3.322 211 HB2 ALA 22 2HB ALA 22 -26.580 -11.820 -3.001 212 HB3 ALA 22 3HB ALA 22 -25.215 -10.830 -3.517 213 H GLY 23 H GLY 23 -26.036 -8.834 -4.963 214 HA2 GLY 23 2HA GLY 23 -26.910 -7.421 -6.921 215 HA3 GLY 23 3HA GLY 23 -28.477 -8.021 -6.399 216 HA PRO 24 HA PRO 24 -28.903 -4.798 -3.465 217 HB2 PRO 24 2HB PRO 24 -29.823 -6.044 -1.235 218 HB3 PRO 24 3HB PRO 24 -30.805 -5.827 -2.689 219 HG2 PRO 24 2HG PRO 24 -29.285 -8.238 -1.772 220 HG3 PRO 24 3HG PRO 24 -30.913 -8.140 -2.468 221 HD2 PRO 24 2HD PRO 24 -28.748 -8.868 -3.923 222 HD3 PRO 24 3HD PRO 24 -30.118 -7.984 -4.626 223 H ALA 25 H ALA 25 -26.503 -4.541 -3.432 224 HA ALA 25 HA ALA 25 -24.846 -5.722 -1.512 225 HB1 ALA 25 1HB ALA 25 -24.631 -2.995 -2.781 226 HB2 ALA 25 2HB ALA 25 -23.343 -3.815 -1.897 227 HB3 ALA 25 3HB ALA 25 -23.952 -4.499 -3.405 228 H VAL 26 H VAL 26 -26.837 -2.800 -1.364 229 HA VAL 26 HA VAL 26 -25.998 -1.727 1.034 230 HB VAL 26 HB VAL 26 -28.348 -0.874 1.292 231 HG11 VAL 26 1HG1 VAL 26 -26.518 0.204 -0.086 232 HG12 VAL 26 2HG1 VAL 26 -27.306 -0.494 -1.503 233 HG13 VAL 26 3HG1 VAL 26 -28.172 0.663 -0.491 234 HG21 VAL 26 3HG2 VAL 26 -28.762 -2.555 -1.173 235 HG22 VAL 26 1HG2 VAL 26 -29.615 -2.670 0.366 236 HG23 VAL 26 2HG2 VAL 26 -29.855 -1.265 -0.673 237 H ALA 27 H ALA 27 -28.289 -4.362 0.483 238 HA ALA 27 HA ALA 27 -29.067 -4.665 3.191 239 HB1 ALA 27 1HB ALA 27 -29.112 -6.798 1.066 240 HB2 ALA 27 2HB ALA 27 -30.121 -6.690 2.509 241 HB3 ALA 27 3HB ALA 27 -30.324 -5.523 1.202 242 H VAL 28 H VAL 28 -26.853 -6.603 1.172 243 HA VAL 28 HA VAL 28 -25.946 -8.323 3.159 244 HB VAL 28 HB VAL 28 -24.372 -7.283 0.798 245 HG11 VAL 28 1HG1 VAL 28 -22.858 -8.335 2.284 246 HG12 VAL 28 2HG1 VAL 28 -23.983 -9.655 2.609 247 HG13 VAL 28 3HG1 VAL 28 -23.218 -9.516 1.025 248 HG21 VAL 28 3HG2 VAL 28 -25.140 -9.500 -0.199 249 HG22 VAL 28 1HG2 VAL 28 -26.339 -9.535 1.094 250 HG23 VAL 28 2HG2 VAL 28 -26.345 -8.218 -0.078 251 H VAL 29 H VAL 29 -24.854 -5.088 2.288 252 HA VAL 29 HA VAL 29 -22.582 -5.114 4.027 253 HB VAL 29 HB VAL 29 -24.018 -2.776 2.763 254 HG11 VAL 29 1HG1 VAL 29 -21.389 -2.060 3.168 255 HG12 VAL 29 2HG1 VAL 29 -22.765 -1.550 4.148 256 HG13 VAL 29 3HG1 VAL 29 -21.799 -2.942 4.639 257 HG21 VAL 29 3HG2 VAL 29 -21.398 -3.497 1.724 258 HG22 VAL 29 1HG2 VAL 29 -22.590 -4.781 1.524 259 HG23 VAL 29 2HG2 VAL 29 -22.905 -3.175 0.867 260 H GLY 30 H GLY 30 -25.699 -3.373 4.161 261 HA2 GLY 30 2HA GLY 30 -25.389 -2.270 6.698 262 HA3 GLY 30 3HA GLY 30 -26.936 -2.632 5.946 263 H GLN 31 H GLN 31 -26.996 -5.326 5.822 264 HA GLN 31 HA GLN 31 -27.747 -6.090 8.391 265 HB2 GLN 31 2HB GLN 31 -26.993 -7.798 6.016 266 HB3 GLN 31 3HB GLN 31 -27.752 -8.418 7.477 267 HG2 GLN 31 2HG GLN 31 -29.166 -6.160 6.285 268 HG3 GLN 31 3HG GLN 31 -29.062 -7.574 5.238 269 HE21 GLN 31 1HE2 GLN 31 -30.287 -6.297 8.226 270 HE22 GLN 31 2HE2 GLN 31 -31.391 -7.583 8.560 271 H ALA 32 H ALA 32 -24.922 -7.293 6.570 272 HA ALA 32 HA ALA 32 -23.715 -8.690 8.632 273 HB1 ALA 32 1HB ALA 32 -21.564 -8.241 7.348 274 HB2 ALA 32 2HB ALA 32 -22.873 -9.029 6.465 275 HB3 ALA 32 3HB ALA 32 -22.559 -7.310 6.228 276 H ALA 33 H ALA 33 -23.199 -5.303 7.675 277 HA ALA 33 HA ALA 33 -21.243 -4.665 9.560 278 HB1 ALA 33 1HB ALA 33 -23.355 -2.789 8.511 279 HB2 ALA 33 2HB ALA 33 -21.756 -2.368 9.127 280 HB3 ALA 33 3HB ALA 33 -21.911 -3.260 7.614 281 H THR 34 H THR 34 -24.778 -4.410 9.777 282 HA THR 34 HA THR 34 -24.837 -3.297 12.375 283 HB THR 34 HB THR 34 -26.962 -4.914 10.953 284 HG1 THR 34 HG1 THR 34 -27.228 -3.143 9.842 285 HG21 THR 34 3HG2 THR 34 -28.035 -4.842 12.914 286 HG22 THR 34 1HG2 THR 34 -28.182 -3.103 12.661 287 HG23 THR 34 2HG2 THR 34 -26.842 -3.746 13.611 288 H VAL 35 H VAL 35 -24.938 -6.621 11.184 289 HA VAL 35 HA VAL 35 -25.464 -7.833 13.695 290 HB VAL 35 HB VAL 35 -24.149 -9.014 11.244 291 HG11 VAL 35 1HG1 VAL 35 -25.277 -10.290 13.727 292 HG12 VAL 35 2HG1 VAL 35 -24.955 -11.177 12.236 293 HG13 VAL 35 3HG1 VAL 35 -23.631 -10.400 13.106 294 HG21 VAL 35 3HG2 VAL 35 -26.773 -8.119 11.618 295 HG22 VAL 35 1HG2 VAL 35 -26.164 -9.137 10.313 296 HG23 VAL 35 2HG2 VAL 35 -26.846 -9.875 11.763 297 H VAL 36 H VAL 36 -22.491 -7.101 11.925 298 HA VAL 36 HA VAL 36 -20.765 -8.375 13.812 299 HB VAL 36 HB VAL 36 -20.124 -6.300 11.711 300 HG11 VAL 36 1HG1 VAL 36 -18.505 -7.623 13.748 301 HG12 VAL 36 2HG1 VAL 36 -17.865 -7.801 12.113 302 HG13 VAL 36 3HG1 VAL 36 -18.159 -6.193 12.776 303 HG21 VAL 36 3HG2 VAL 36 -20.965 -8.937 11.396 304 HG22 VAL 36 1HG2 VAL 36 -20.187 -7.918 10.184 305 HG23 VAL 36 2HG2 VAL 36 -19.214 -8.992 11.190 306 H LYS 37 H LYS 37 -21.727 -5.017 13.199 307 HA LYS 37 HA LYS 37 -20.083 -3.750 15.047 308 HB2 LYS 37 2HB LYS 37 -21.484 -2.593 13.356 309 HB3 LYS 37 3HB LYS 37 -22.912 -2.981 14.307 310 HG2 LYS 37 2HG LYS 37 -21.585 -1.750 16.209 311 HG3 LYS 37 3HG LYS 37 -20.753 -1.008 14.841 312 HD2 LYS 37 2HD LYS 37 -22.599 0.143 14.169 313 HD3 LYS 37 3HD LYS 37 -23.714 -1.104 14.732 314 HE2 LYS 37 2HE LYS 37 -23.502 -0.383 16.991 315 HE3 LYS 37 3HE LYS 37 -22.156 0.682 16.589 316 HZ1 LYS 37 3HZ LYS 37 -23.528 2.273 15.826 317 HZ2 LYS 37 1HZ LYS 37 -24.669 1.512 16.817 318 HZ3 LYS 37 2HZ LYS 37 -24.632 1.179 15.159 319 HN1 NH2 38 HN1 NH2 38 -23.707 -3.739 16.139 Start of MODEL 20 1 H1 ARG 1 H ARG 1 -0.573 -5.686 -2.937 2 HA ARG 1 HA ARG 1 -0.143 -6.964 -0.863 3 HB2 ARG 1 2HB ARG 1 2.617 -6.722 -2.002 4 HB3 ARG 1 3HB ARG 1 2.408 -6.861 -0.262 5 HG2 ARG 1 2HG ARG 1 1.228 -8.970 -0.557 6 HG3 ARG 1 3HG ARG 1 1.400 -8.827 -2.307 7 HD2 ARG 1 2HD ARG 1 3.959 -8.509 -1.070 8 HD3 ARG 1 3HD ARG 1 3.199 -9.981 -0.466 9 HE ARG 1 HE ARG 1 2.841 -10.113 -3.159 10 HH11 ARG 1 1HH1 ARG 1 5.606 -9.691 -1.086 11 HH12 ARG 1 2HH1 ARG 1 6.706 -10.468 -2.177 12 HH21 ARG 1 1HH2 ARG 1 4.279 -11.138 -4.603 13 HH22 ARG 1 2HH2 ARG 1 5.950 -11.289 -4.177 14 H TRP 2 H TRP 2 -1.209 -4.628 -1.045 15 HA TRP 2 HA TRP 2 0.277 -2.988 0.859 16 HB2 TRP 2 2HB TRP 2 -0.408 -2.204 -1.910 17 HB3 TRP 2 3HB TRP 2 -0.762 -1.008 -0.666 18 HD1 TRP 2 HD1 TRP 2 2.007 -2.248 -2.785 19 HE1 TRP 2 HE1 TRP 2 4.242 -1.208 -2.045 20 HE3 TRP 2 HE3 TRP 2 0.540 -0.274 1.697 21 HZ2 TRP 2 HZ2 TRP 2 5.250 0.255 0.148 22 HZ3 TRP 2 HZ3 TRP 2 2.200 0.930 3.055 23 HH2 TRP 2 HH2 TRP 2 4.506 1.188 2.295 24 H LYS 3 H LYS 3 -1.068 -1.434 1.984 25 HA LYS 3 HA LYS 3 -3.479 -2.481 2.883 26 HB2 LYS 3 2HB LYS 3 -2.015 0.051 3.195 27 HB3 LYS 3 3HB LYS 3 -3.752 0.186 3.430 28 HG2 LYS 3 2HG LYS 3 -2.472 -2.075 4.805 29 HG3 LYS 3 3HG LYS 3 -2.001 -0.470 5.371 30 HD2 LYS 3 2HD LYS 3 -4.894 -1.027 4.948 31 HD3 LYS 3 3HD LYS 3 -4.105 -1.727 6.363 32 HE2 LYS 3 2HE LYS 3 -3.855 1.188 5.685 33 HE3 LYS 3 3HE LYS 3 -5.211 0.567 6.625 34 HZ1 LYS 3 3HZ LYS 3 -3.948 0.511 8.428 35 HZ2 LYS 3 1HZ LYS 3 -2.706 1.266 7.560 36 HZ3 LYS 3 2HZ LYS 3 -2.767 -0.422 7.654 37 H ILE 4 H ILE 4 -3.305 0.642 1.188 38 HA ILE 4 HA ILE 4 -5.960 0.790 0.459 39 HB ILE 4 HB ILE 4 -4.495 2.700 0.229 40 HG12 ILE 4 2HG1 ILE 4 -5.306 2.114 -2.597 41 HG13 ILE 4 3HG1 ILE 4 -6.540 2.241 -1.348 42 HG21 ILE 4 1HG2 ILE 4 -2.510 1.363 -0.510 43 HG22 ILE 4 2HG2 ILE 4 -3.215 1.329 -2.126 44 HG23 ILE 4 3HG2 ILE 4 -2.760 2.868 -1.395 45 HD11 ILE 4 3HD1 ILE 4 -5.569 4.495 -0.791 46 HD12 ILE 4 1HD1 ILE 4 -4.611 4.349 -2.264 47 HD13 ILE 4 2HD1 ILE 4 -6.373 4.362 -2.355 48 H PHE 5 H PHE 5 -3.295 -0.791 -1.226 49 HA PHE 5 HA PHE 5 -4.592 -1.359 -3.636 50 HB2 PHE 5 2HB PHE 5 -2.145 -1.642 -3.187 51 HB3 PHE 5 3HB PHE 5 -2.529 -3.090 -2.262 52 HD1 PHE 5 HD2 PHE 5 -3.680 -5.003 -3.453 53 HD2 PHE 5 HD1 PHE 5 -1.896 -1.728 -5.505 54 HE1 PHE 5 HE2 PHE 5 -3.601 -6.343 -5.515 55 HE2 PHE 5 HE1 PHE 5 -1.815 -3.062 -7.570 56 HZ PHE 5 HZ PHE 5 -2.667 -5.373 -7.577 57 H LYS 6 H LYS 6 -3.962 -3.731 -1.049 58 HA LYS 6 HA LYS 6 -5.740 -5.666 -1.953 59 HB2 LYS 6 2HB LYS 6 -4.067 -6.188 -0.291 60 HB3 LYS 6 3HB LYS 6 -4.793 -5.068 0.854 61 HG2 LYS 6 2HG LYS 6 -6.634 -7.120 -0.108 62 HG3 LYS 6 3HG LYS 6 -5.238 -7.758 0.765 63 HD2 LYS 6 2HD LYS 6 -5.776 -5.988 2.537 64 HD3 LYS 6 3HD LYS 6 -7.336 -5.833 1.725 65 HE2 LYS 6 2HE LYS 6 -8.081 -7.797 2.523 66 HE3 LYS 6 3HE LYS 6 -6.527 -8.594 2.286 67 HZ1 LYS 6 3HZ LYS 6 -7.638 -7.538 4.664 68 HZ2 LYS 6 1HZ LYS 6 -6.160 -6.781 4.338 69 HZ3 LYS 6 2HZ LYS 6 -6.238 -8.466 4.464 70 H LYS 7 H LYS 7 -6.284 -2.883 0.126 71 HA LYS 7 HA LYS 7 -8.876 -3.556 1.001 72 HB2 LYS 7 2HB LYS 7 -7.349 -1.742 1.918 73 HB3 LYS 7 3HB LYS 7 -7.853 -0.752 0.555 74 HG2 LYS 7 2HG LYS 7 -9.844 -0.288 1.469 75 HG3 LYS 7 3HG LYS 7 -10.061 -1.930 2.079 76 HD2 LYS 7 2HD LYS 7 -8.970 -1.483 4.056 77 HD3 LYS 7 3HD LYS 7 -8.023 -0.166 3.359 78 HE2 LYS 7 2HE LYS 7 -10.403 0.943 3.103 79 HE3 LYS 7 3HE LYS 7 -10.809 -0.164 4.414 80 HZ1 LYS 7 3HZ LYS 7 -9.652 1.036 5.879 81 HZ2 LYS 7 1HZ LYS 7 -9.719 2.280 4.733 82 HZ3 LYS 7 2HZ LYS 7 -8.354 1.286 4.823 83 H ILE 8 H ILE 8 -8.038 -1.039 -1.384 84 HA ILE 8 HA ILE 8 -10.589 -0.719 -2.430 85 HB ILE 8 HB ILE 8 -7.957 -0.367 -3.869 86 HG12 ILE 8 2HG1 ILE 8 -8.170 0.945 -1.779 87 HG13 ILE 8 3HG1 ILE 8 -8.129 1.970 -3.209 88 HG21 ILE 8 1HG2 ILE 8 -9.706 -0.453 -5.488 89 HG22 ILE 8 2HG2 ILE 8 -10.730 0.606 -4.520 90 HG23 ILE 8 3HG2 ILE 8 -9.265 1.240 -5.269 91 HD11 ILE 8 3HD1 ILE 8 -10.535 2.247 -3.099 92 HD12 ILE 8 1HD1 ILE 8 -10.608 1.177 -1.699 93 HD13 ILE 8 2HD1 ILE 8 -9.778 2.729 -1.581 94 H GLU 9 H GLU 9 -8.047 -2.990 -3.341 95 HA GLU 9 HA GLU 9 -9.293 -3.989 -5.669 96 HB2 GLU 9 2HB GLU 9 -6.897 -4.314 -5.121 97 HB3 GLU 9 3HB GLU 9 -7.363 -5.405 -3.823 98 HG2 GLU 9 2HG GLU 9 -6.960 -6.951 -5.412 99 HG3 GLU 9 3HG GLU 9 -8.637 -6.603 -5.827 100 H LYS 10 H LYS 10 -9.245 -5.187 -2.322 101 HA LYS 10 HA LYS 10 -10.915 -7.418 -2.795 102 HB2 LYS 10 2HB LYS 10 -9.456 -7.226 -0.823 103 HB3 LYS 10 3HB LYS 10 -10.437 -5.894 -0.226 104 HG2 LYS 10 2HG LYS 10 -12.109 -8.155 -0.765 105 HG3 LYS 10 3HG LYS 10 -10.761 -8.635 0.270 106 HD2 LYS 10 2HD LYS 10 -11.298 -6.864 1.839 107 HD3 LYS 10 3HD LYS 10 -12.590 -6.288 0.782 108 HE2 LYS 10 2HE LYS 10 -13.307 -8.875 1.067 109 HE3 LYS 10 3HE LYS 10 -12.519 -8.595 2.619 110 HZ1 LYS 10 3HZ LYS 10 -14.683 -7.982 3.036 111 HZ2 LYS 10 1HZ LYS 10 -14.920 -7.310 1.502 112 HZ3 LYS 10 2HZ LYS 10 -13.988 -6.489 2.650 113 H VAL 11 H VAL 11 -11.661 -4.323 -1.178 114 HA VAL 11 HA VAL 11 -14.417 -4.716 -0.975 115 HB VAL 11 HB VAL 11 -14.623 -2.338 -0.612 116 HG11 VAL 11 1HG1 VAL 11 -12.856 -4.025 0.787 117 HG12 VAL 11 2HG1 VAL 11 -12.096 -2.434 0.724 118 HG13 VAL 11 3HG1 VAL 11 -13.717 -2.612 1.396 119 HG21 VAL 11 3HG2 VAL 11 -12.151 -2.257 -2.208 120 HG22 VAL 11 1HG2 VAL 11 -13.462 -1.084 -2.080 121 HG23 VAL 11 2HG2 VAL 11 -12.207 -1.143 -0.842 122 H GLY 12 H GLY 12 -12.454 -3.637 -3.653 123 HA2 GLY 12 2HA GLY 12 -14.578 -2.541 -5.209 124 HA3 GLY 12 3HA GLY 12 -12.987 -2.997 -5.800 125 H ARG 13 H ARG 13 -13.016 -5.720 -5.116 126 HA ARG 13 HA ARG 13 -14.624 -6.731 -7.281 127 HB2 ARG 13 2HB ARG 13 -12.298 -7.515 -6.812 128 HB3 ARG 13 3HB ARG 13 -12.892 -8.264 -5.336 129 HG2 ARG 13 2HG ARG 13 -13.939 -9.953 -6.444 130 HG3 ARG 13 3HG ARG 13 -14.235 -8.974 -7.883 131 HD2 ARG 13 2HD ARG 13 -11.574 -9.053 -7.984 132 HD3 ARG 13 3HD ARG 13 -11.852 -10.560 -7.111 133 HE ARG 13 HE ARG 13 -12.729 -11.477 -9.026 134 HH11 ARG 13 1HH1 ARG 13 -12.414 -8.032 -9.419 135 HH12 ARG 13 2HH1 ARG 13 -12.764 -8.062 -11.115 136 HH21 ARG 13 1HH2 ARG 13 -13.192 -11.530 -11.259 137 HH22 ARG 13 2HH2 ARG 13 -13.207 -10.052 -12.161 138 H ASN 14 H ASN 14 -14.687 -6.807 -3.779 139 HA ASN 14 HA ASN 14 -16.480 -8.878 -3.335 140 HB2 ASN 14 2HB ASN 14 -15.409 -7.907 -1.451 141 HB3 ASN 14 3HB ASN 14 -16.006 -6.298 -1.846 142 HD21 ASN 14 1HD2 ASN 14 -16.930 -6.030 0.174 143 HD22 ASN 14 2HD2 ASN 14 -18.365 -6.866 0.652 144 H VAL 15 H VAL 15 -17.310 -5.407 -3.458 145 HA VAL 15 HA VAL 15 -20.057 -5.654 -3.457 146 HB VAL 15 HB VAL 15 -18.512 -3.583 -5.022 147 HG11 VAL 15 1HG1 VAL 15 -20.664 -2.309 -4.013 148 HG12 VAL 15 2HG1 VAL 15 -20.624 -3.051 -5.614 149 HG13 VAL 15 3HG1 VAL 15 -21.337 -3.921 -4.255 150 HG21 VAL 15 3HG2 VAL 15 -19.328 -2.559 -2.534 151 HG22 VAL 15 1HG2 VAL 15 -18.565 -4.115 -2.208 152 HG23 VAL 15 2HG2 VAL 15 -17.683 -2.867 -3.088 153 H ARG 16 H ARG 16 -17.985 -5.308 -6.343 154 HA ARG 16 HA ARG 16 -19.925 -5.586 -8.285 155 HB2 ARG 16 2HB ARG 16 -17.012 -6.306 -8.214 156 HB3 ARG 16 3HB ARG 16 -17.981 -6.663 -9.637 157 HG2 ARG 16 2HG ARG 16 -18.288 -3.927 -8.667 158 HG3 ARG 16 3HG ARG 16 -16.645 -4.331 -9.170 159 HD2 ARG 16 2HD ARG 16 -17.722 -5.290 -11.281 160 HD3 ARG 16 3HD ARG 16 -19.178 -4.430 -10.781 161 HE ARG 16 HE ARG 16 -16.868 -2.744 -10.835 162 HH11 ARG 16 1HH1 ARG 16 -19.368 -4.176 -12.790 163 HH12 ARG 16 2HH1 ARG 16 -19.295 -2.950 -14.012 164 HH21 ARG 16 1HH2 ARG 16 -16.763 -1.124 -12.437 165 HH22 ARG 16 2HH2 ARG 16 -17.813 -1.215 -13.811 166 H ASP 17 H ASP 17 -17.822 -8.214 -7.096 167 HA ASP 17 HA ASP 17 -19.051 -10.320 -8.391 168 HB2 ASP 17 2HB ASP 17 -16.955 -10.616 -7.216 169 HB3 ASP 17 3HB ASP 17 -17.731 -10.279 -5.671 170 H GLY 18 H GLY 18 -19.897 -8.834 -5.292 171 HA2 GLY 18 2HA GLY 18 -21.912 -10.683 -4.577 172 HA3 GLY 18 3HA GLY 18 -21.755 -9.046 -3.958 173 H ILE 19 H ILE 19 -22.064 -7.593 -6.312 174 HA ILE 19 HA ILE 19 -24.897 -7.594 -6.556 175 HB ILE 19 HB ILE 19 -22.835 -6.120 -8.199 176 HG12 ILE 19 2HG1 ILE 19 -24.531 -4.954 -6.009 177 HG13 ILE 19 3HG1 ILE 19 -23.009 -5.755 -5.635 178 HG21 ILE 19 1HG2 ILE 19 -25.818 -5.768 -7.968 179 HG22 ILE 19 2HG2 ILE 19 -24.736 -4.590 -8.709 180 HG23 ILE 19 3HG2 ILE 19 -24.898 -6.200 -9.409 181 HD11 ILE 19 3HD1 ILE 19 -22.858 -3.286 -5.847 182 HD12 ILE 19 1HD1 ILE 19 -21.783 -4.173 -6.927 183 HD13 ILE 19 2HD1 ILE 19 -23.268 -3.456 -7.554 184 H ILE 20 H ILE 20 -22.263 -8.787 -8.552 185 HA ILE 20 HA ILE 20 -23.899 -9.367 -10.827 186 HB ILE 20 HB ILE 20 -21.161 -10.416 -10.097 187 HG12 ILE 20 2HG1 ILE 20 -21.542 -8.449 -12.277 188 HG13 ILE 20 3HG1 ILE 20 -21.797 -7.843 -10.644 189 HG21 ILE 20 1HG2 ILE 20 -21.558 -10.413 -12.882 190 HG22 ILE 20 2HG2 ILE 20 -21.371 -11.804 -11.815 191 HG23 ILE 20 3HG2 ILE 20 -22.980 -11.175 -12.170 192 HD11 ILE 20 3HD1 ILE 20 -19.505 -9.001 -10.178 193 HD12 ILE 20 1HD1 ILE 20 -19.313 -8.857 -11.925 194 HD13 ILE 20 2HD1 ILE 20 -19.573 -7.414 -10.944 195 H LYS 21 H LYS 21 -22.561 -11.284 -8.160 196 HA LYS 21 HA LYS 21 -23.525 -13.784 -9.038 197 HB2 LYS 21 2HB LYS 21 -21.769 -13.588 -7.352 198 HB3 LYS 21 3HB LYS 21 -22.897 -12.822 -6.241 199 HG2 LYS 21 2HG LYS 21 -23.927 -14.778 -5.713 200 HG3 LYS 21 3HG LYS 21 -23.610 -15.501 -7.292 201 HD2 LYS 21 2HD LYS 21 -21.236 -15.740 -6.681 202 HD3 LYS 21 3HD LYS 21 -21.593 -15.068 -5.088 203 HE2 LYS 21 2HE LYS 21 -22.973 -16.924 -4.528 204 HE3 LYS 21 3HE LYS 21 -22.941 -17.527 -6.184 205 HZ1 LYS 21 3HZ LYS 21 -20.570 -17.351 -4.405 206 HZ2 LYS 21 1HZ LYS 21 -20.615 -18.024 -5.956 207 HZ3 LYS 21 2HZ LYS 21 -21.459 -18.761 -4.689 208 H ALA 22 H ALA 22 -24.703 -12.092 -6.140 209 HA ALA 22 HA ALA 22 -27.366 -13.195 -6.654 210 HB1 ALA 22 1HB ALA 22 -26.948 -13.706 -4.481 211 HB2 ALA 22 2HB ALA 22 -25.906 -12.305 -4.234 212 HB3 ALA 22 3HB ALA 22 -27.658 -12.109 -4.244 213 H GLY 23 H GLY 23 -26.369 -10.170 -5.069 214 HA2 GLY 23 2HA GLY 23 -26.828 -8.117 -6.542 215 HA3 GLY 23 3HA GLY 23 -28.449 -8.790 -6.634 216 HA PRO 24 HA PRO 24 -29.657 -6.819 -2.915 217 HB2 PRO 24 2HB PRO 24 -30.963 -8.747 -1.519 218 HB3 PRO 24 3HB PRO 24 -31.625 -8.004 -2.980 219 HG2 PRO 24 2HG PRO 24 -30.211 -10.623 -2.660 220 HG3 PRO 24 3HG PRO 24 -31.657 -10.242 -3.612 221 HD2 PRO 24 2HD PRO 24 -29.199 -10.468 -4.725 222 HD3 PRO 24 3HD PRO 24 -30.432 -9.355 -5.352 223 H ALA 25 H ALA 25 -27.617 -9.587 -2.682 224 HA ALA 25 HA ALA 25 -27.195 -9.827 0.047 225 HB1 ALA 25 1HB ALA 25 -25.924 -10.727 -2.341 226 HB2 ALA 25 2HB ALA 25 -24.690 -10.170 -1.210 227 HB3 ALA 25 3HB ALA 25 -25.843 -11.410 -0.716 228 H VAL 26 H VAL 26 -26.154 -7.346 -2.148 229 HA VAL 26 HA VAL 26 -23.975 -6.251 -0.858 230 HB VAL 26 HB VAL 26 -26.199 -4.711 -2.205 231 HG11 VAL 26 1HG1 VAL 26 -24.150 -3.195 -2.720 232 HG12 VAL 26 2HG1 VAL 26 -24.942 -3.085 -1.147 233 HG13 VAL 26 3HG1 VAL 26 -23.438 -3.990 -1.317 234 HG21 VAL 26 3HG2 VAL 26 -24.404 -6.618 -3.266 235 HG22 VAL 26 1HG2 VAL 26 -25.520 -5.566 -4.137 236 HG23 VAL 26 2HG2 VAL 26 -23.870 -5.031 -3.821 237 H ALA 27 H ALA 27 -27.373 -5.248 -0.411 238 HA ALA 27 HA ALA 27 -26.966 -3.477 1.686 239 HB1 ALA 27 1HB ALA 27 -29.253 -3.442 1.953 240 HB2 ALA 27 2HB ALA 27 -29.102 -4.048 0.303 241 HB3 ALA 27 3HB ALA 27 -29.425 -5.167 1.627 242 H VAL 28 H VAL 28 -27.784 -6.939 1.855 243 HA VAL 28 HA VAL 28 -27.873 -7.192 4.623 244 HB VAL 28 HB VAL 28 -26.929 -9.261 2.634 245 HG11 VAL 28 1HG1 VAL 28 -27.782 -9.433 5.508 246 HG12 VAL 28 2HG1 VAL 28 -27.863 -10.824 4.424 247 HG13 VAL 28 3HG1 VAL 28 -26.312 -10.051 4.754 248 HG21 VAL 28 3HG2 VAL 28 -29.435 -9.991 3.183 249 HG22 VAL 28 1HG2 VAL 28 -29.604 -8.249 3.403 250 HG23 VAL 28 2HG2 VAL 28 -29.035 -8.893 1.863 251 H VAL 29 H VAL 29 -25.139 -8.179 2.549 252 HA VAL 29 HA VAL 29 -23.284 -8.628 4.540 253 HB VAL 29 HB VAL 29 -22.741 -7.510 1.785 254 HG11 VAL 29 1HG1 VAL 29 -20.522 -8.669 2.122 255 HG12 VAL 29 2HG1 VAL 29 -20.779 -7.207 3.078 256 HG13 VAL 29 3HG1 VAL 29 -20.945 -8.795 3.829 257 HG21 VAL 29 3HG2 VAL 29 -22.109 -10.250 1.961 258 HG22 VAL 29 1HG2 VAL 29 -23.718 -10.052 2.655 259 HG23 VAL 29 2HG2 VAL 29 -23.390 -9.491 1.016 260 H GLY 30 H GLY 30 -23.772 -5.602 2.713 261 HA2 GLY 30 2HA GLY 30 -21.839 -4.061 3.987 262 HA3 GLY 30 3HA GLY 30 -23.304 -3.422 3.256 263 H GLN 31 H GLN 31 -25.332 -4.037 4.722 264 HA GLN 31 HA GLN 31 -25.224 -2.434 6.968 265 HB2 GLN 31 2HB GLN 31 -27.095 -4.655 6.185 266 HB3 GLN 31 3HB GLN 31 -27.320 -3.751 7.677 267 HG2 GLN 31 2HG GLN 31 -26.946 -1.873 5.600 268 HG3 GLN 31 3HG GLN 31 -28.112 -3.069 5.035 269 HE21 GLN 31 1HE2 GLN 31 -28.324 -0.201 5.907 270 HE22 GLN 31 2HE2 GLN 31 -29.594 -0.199 7.078 271 H ALA 32 H ALA 32 -25.252 -6.001 6.915 272 HA ALA 32 HA ALA 32 -24.929 -6.446 9.628 273 HB1 ALA 32 1HB ALA 32 -25.448 -8.220 8.041 274 HB2 ALA 32 2HB ALA 32 -23.827 -8.095 7.355 275 HB3 ALA 32 3HB ALA 32 -24.041 -8.642 9.017 276 H ALA 33 H ALA 33 -22.328 -6.441 7.180 277 HA ALA 33 HA ALA 33 -20.169 -6.671 8.887 278 HB1 ALA 33 1HB ALA 33 -18.808 -5.814 7.116 279 HB2 ALA 33 2HB ALA 33 -20.097 -6.780 6.398 280 HB3 ALA 33 3HB ALA 33 -20.194 -5.020 6.367 281 H THR 34 H THR 34 -21.852 -3.732 7.842 282 HA THR 34 HA THR 34 -20.134 -1.894 9.113 283 HB THR 34 HB THR 34 -23.064 -1.595 8.425 284 HG1 THR 34 HG1 THR 34 -22.119 -0.452 6.598 285 HG21 THR 34 3HG2 THR 34 -22.095 0.900 8.306 286 HG22 THR 34 1HG2 THR 34 -21.061 0.257 9.582 287 HG23 THR 34 2HG2 THR 34 -22.815 0.224 9.767 288 H VAL 35 H VAL 35 -23.119 -3.477 10.183 289 HA VAL 35 HA VAL 35 -23.299 -2.123 12.666 290 HB VAL 35 HB VAL 35 -24.429 -4.813 11.879 291 HG11 VAL 35 1HG1 VAL 35 -24.856 -4.959 14.076 292 HG12 VAL 35 2HG1 VAL 35 -24.548 -3.243 14.351 293 HG13 VAL 35 3HG1 VAL 35 -26.117 -3.772 13.743 294 HG21 VAL 35 3HG2 VAL 35 -26.307 -2.627 12.064 295 HG22 VAL 35 1HG2 VAL 35 -25.036 -2.282 10.890 296 HG23 VAL 35 2HG2 VAL 35 -26.011 -3.744 10.732 297 H VAL 36 H VAL 36 -21.761 -5.127 11.651 298 HA VAL 36 HA VAL 36 -21.065 -5.972 14.290 299 HB VAL 36 HB VAL 36 -19.904 -6.817 11.631 300 HG11 VAL 36 1HG1 VAL 36 -18.368 -7.361 13.394 301 HG12 VAL 36 2HG1 VAL 36 -19.669 -8.031 14.380 302 HG13 VAL 36 3HG1 VAL 36 -19.186 -8.838 12.888 303 HG21 VAL 36 3HG2 VAL 36 -21.822 -7.893 11.314 304 HG22 VAL 36 1HG2 VAL 36 -21.494 -8.839 12.766 305 HG23 VAL 36 2HG2 VAL 36 -22.429 -7.348 12.877 306 H LYS 37 H LYS 37 -19.080 -4.747 11.587 307 HA LYS 37 HA LYS 37 -16.688 -4.492 12.968 308 HB2 LYS 37 2HB LYS 37 -15.943 -3.093 11.195 309 HB3 LYS 37 3HB LYS 37 -17.054 -4.255 10.481 310 HG2 LYS 37 2HG LYS 37 -17.849 -2.389 9.490 311 HG3 LYS 37 3HG LYS 37 -18.788 -2.297 10.983 312 HD2 LYS 37 2HD LYS 37 -17.607 -0.524 11.775 313 HD3 LYS 37 3HD LYS 37 -16.103 -1.047 11.013 314 HE2 LYS 37 2HE LYS 37 -17.983 -0.404 8.972 315 HE3 LYS 37 3HE LYS 37 -17.941 0.924 10.131 316 HZ1 LYS 37 3HZ LYS 37 -16.242 1.496 8.736 317 HZ2 LYS 37 1HZ LYS 37 -15.803 -0.104 8.405 318 HZ3 LYS 37 2HZ LYS 37 -15.381 0.600 9.884 319 HN1 NH2 38 HN1 NH2 38 -19.377 -1.771 12.806
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