NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
599413 | 2mza | 25478 | cing | 1-original | 5 | 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 3.085 -0.364 -1.021 3 HB2 ARG 1 2HB ARG 1 0.379 -0.724 -2.297 4 HB3 ARG 1 3HB ARG 1 1.864 -0.727 -3.239 5 HG2 ARG 1 2HG ARG 1 1.406 -2.579 -0.919 6 HG3 ARG 1 3HG ARG 1 0.957 -2.981 -2.578 7 HD2 ARG 1 2HD ARG 1 3.058 -3.494 -3.104 8 HD3 ARG 1 3HD ARG 1 3.661 -1.978 -2.436 9 HE ARG 1 HE ARG 1 3.040 -3.790 -0.356 10 HH11 ARG 1 1HH1 ARG 1 5.392 -3.191 -2.852 11 HH12 ARG 1 2HH1 ARG 1 6.684 -3.975 -2.004 12 HH21 ARG 1 1HH2 ARG 1 4.732 -4.826 0.770 13 HH22 ARG 1 2HH2 ARG 1 6.307 -4.906 0.055 14 H SER 2 H SER 2 3.311 0.740 -3.336 15 HA SER 2 HA SER 2 3.139 3.583 -2.806 16 HB2 SER 2 2HB SER 2 4.643 3.865 -4.635 17 HB3 SER 2 3HB SER 2 5.185 2.426 -3.773 18 HG SER 2 HG SER 2 5.091 2.149 -6.069 19 H LYS 3 H LYS 3 1.654 1.207 -4.888 20 HA LYS 3 HA LYS 3 0.360 3.163 -6.567 21 HB2 LYS 3 2HB LYS 3 -0.144 0.192 -6.318 22 HB3 LYS 3 3HB LYS 3 -0.749 1.239 -7.595 23 HG2 LYS 3 2HG LYS 3 2.178 0.808 -7.060 24 HG3 LYS 3 3HG LYS 3 1.238 -0.163 -8.196 25 HD2 LYS 3 2HD LYS 3 1.166 1.483 -9.737 26 HD3 LYS 3 3HD LYS 3 0.973 2.749 -8.522 27 HE2 LYS 3 2HE LYS 3 3.070 3.251 -9.276 28 HE3 LYS 3 3HE LYS 3 3.481 2.126 -7.982 29 HZ1 LYS 3 3HZ LYS 3 3.024 1.045 -10.666 30 HZ2 LYS 3 1HZ LYS 3 4.069 0.506 -9.449 31 HZ3 LYS 3 2HZ LYS 3 4.476 1.862 -10.374 32 H ASP 4 H ASP 4 -0.351 1.434 -3.649 33 HA ASP 4 HA ASP 4 -3.188 1.823 -3.738 34 HB2 ASP 4 2HB ASP 4 -1.291 0.490 -2.027 35 HB3 ASP 4 3HB ASP 4 -2.395 1.462 -1.058 36 H LEU 5 H LEU 5 -0.456 3.652 -2.616 37 HA LEU 5 HA LEU 5 -1.945 5.435 -0.943 38 HB2 LEU 5 2HB LEU 5 0.399 5.086 -0.527 39 HB3 LEU 5 3HB LEU 5 0.808 5.629 -2.153 40 HG LEU 5 HG LEU 5 -0.119 7.891 -1.483 41 HD11 LEU 5 1HD1 LEU 5 0.385 7.675 1.290 42 HD12 LEU 5 2HD1 LEU 5 -0.779 6.421 0.863 43 HD13 LEU 5 3HD1 LEU 5 -1.120 8.108 0.480 44 HD21 LEU 5 3HD2 LEU 5 1.958 8.585 -0.826 45 HD22 LEU 5 1HD2 LEU 5 2.356 6.988 -1.461 46 HD23 LEU 5 2HD2 LEU 5 2.186 7.228 0.279 47 H ARG 6 H ARG 6 -1.133 5.286 -4.317 48 HA ARG 6 HA ARG 6 -1.411 7.951 -5.064 49 HB2 ARG 6 2HB ARG 6 -1.391 5.374 -6.379 50 HB3 ARG 6 3HB ARG 6 -2.558 6.451 -7.135 51 HG2 ARG 6 2HG ARG 6 -0.492 6.703 -8.278 52 HG3 ARG 6 3HG ARG 6 -0.748 8.160 -7.316 53 HD2 ARG 6 2HD ARG 6 0.663 6.966 -5.525 54 HD3 ARG 6 3HD ARG 6 1.153 5.891 -6.834 55 HE ARG 6 HE ARG 6 1.496 8.590 -7.600 56 HH11 ARG 6 1HH1 ARG 6 2.876 6.128 -5.561 57 HH12 ARG 6 2HH1 ARG 6 4.476 6.790 -5.623 58 HH21 ARG 6 1HH2 ARG 6 3.599 9.471 -7.690 59 HH22 ARG 6 2HH2 ARG 6 4.886 8.691 -6.834 60 H HIS 7 H HIS 7 -3.830 5.551 -4.286 61 HA HIS 7 HA HIS 7 -6.045 7.055 -5.309 62 HB2 HIS 7 2HB HIS 7 -5.814 4.636 -3.528 63 HB3 HIS 7 3HB HIS 7 -7.370 5.388 -3.871 64 HD1 HIS 7 HD1 HIS 7 -6.158 5.958 -6.944 65 HD2 HIS 7 HD2 HIS 7 -6.840 2.369 -4.964 66 HE1 HIS 7 HE1 HIS 7 -6.402 4.228 -8.753 67 H ALA 8 H ALA 8 -4.174 7.143 -2.450 68 HA ALA 8 HA ALA 8 -6.177 8.247 -0.725 69 HB1 ALA 8 1HB ALA 8 -4.664 7.902 0.870 70 HB2 ALA 8 2HB ALA 8 -3.645 7.177 -0.374 71 HB3 ALA 8 3HB ALA 8 -3.457 8.881 0.037 72 H PHE 9 H PHE 9 -4.037 9.496 -3.122 73 HA PHE 9 HA PHE 9 -3.789 12.150 -2.224 74 HB2 PHE 9 2HB PHE 9 -2.607 10.863 -4.188 75 HB3 PHE 9 3HB PHE 9 -3.934 11.511 -5.146 76 HD1 PHE 9 HD1 PHE 9 -1.383 12.642 -2.673 77 HD2 PHE 9 HD2 PHE 9 -3.654 13.554 -6.155 78 HE1 PHE 9 HE1 PHE 9 -0.171 14.771 -2.901 79 HE2 PHE 9 HE2 PHE 9 -2.446 15.684 -6.389 80 HZ PHE 9 HZ PHE 9 -0.701 16.295 -4.762 81 H ARG 10 H ARG 10 -6.377 10.449 -3.783 82 HA ARG 10 HA ARG 10 -7.784 12.770 -4.692 83 HB2 ARG 10 2HB ARG 10 -8.033 9.960 -4.975 84 HB3 ARG 10 3HB ARG 10 -9.542 10.546 -4.288 85 HG2 ARG 10 2HG ARG 10 -8.990 12.356 -6.302 86 HG3 ARG 10 3HG ARG 10 -8.504 10.800 -6.978 87 HD2 ARG 10 2HD ARG 10 -10.778 9.968 -6.067 88 HD3 ARG 10 3HD ARG 10 -11.193 11.680 -5.997 89 HE ARG 10 HE ARG 10 -10.274 11.379 -8.519 90 HH11 ARG 10 1HH1 ARG 10 -12.654 9.679 -6.631 91 HH12 ARG 10 2HH1 ARG 10 -13.625 9.251 -8.000 92 HH21 ARG 10 1HH2 ARG 10 -11.543 10.820 -10.330 93 HH22 ARG 10 2HH2 ARG 10 -12.991 9.899 -10.104 94 H SEP 11 H SEP 11 -7.591 10.960 -1.704 95 HA SEP 11 HA SEP 11 -10.098 11.783 -0.589 96 HB2 SEP 11 2HB SEP 11 -8.686 9.878 0.359 97 HB3 SEP 11 3HB SEP 11 -7.482 11.017 0.908 98 H MET 12 H MET 12 -6.963 13.297 -0.771 99 HA MET 12 HA MET 12 -7.573 15.490 0.939 100 HB2 MET 12 2HB MET 12 -5.272 14.532 -0.035 101 HB3 MET 12 3HB MET 12 -5.549 15.807 -1.214 102 HG2 MET 12 2HG MET 12 -4.861 17.356 0.205 103 HG3 MET 12 3HG MET 12 -5.990 16.802 1.439 104 HE1 MET 12 3HE MET 12 -1.625 16.752 1.699 105 HE2 MET 12 1HE MET 12 -2.653 17.497 0.475 106 HE3 MET 12 2HE MET 12 -2.820 17.961 2.169 107 H PHE 13 H PHE 13 -8.159 14.777 -2.399 108 HA PHE 13 HA PHE 13 -8.559 17.445 -3.295 109 HB2 PHE 13 2HB PHE 13 -8.858 14.749 -4.381 110 HB3 PHE 13 3HB PHE 13 -10.104 15.855 -4.951 111 HD1 PHE 13 HD2 PHE 13 -6.471 16.274 -4.216 112 HD2 PHE 13 HD1 PHE 13 -9.611 16.562 -7.074 113 HE1 PHE 13 HE2 PHE 13 -4.889 17.204 -5.855 114 HE2 PHE 13 HE1 PHE 13 -8.034 17.491 -8.718 115 HZ PHE 13 HZ PHE 13 -5.670 17.815 -8.109 116 HA PRO 14 HA PRO 14 -12.644 18.345 -1.963 117 HB2 PRO 14 2HB PRO 14 -13.678 19.676 -4.086 118 HB3 PRO 14 3HB PRO 14 -12.422 20.361 -3.047 119 HG2 PRO 14 2HG PRO 14 -12.172 19.082 -5.735 120 HG3 PRO 14 3HG PRO 14 -11.329 20.500 -5.083 121 HD2 PRO 14 2HD PRO 14 -10.243 18.014 -5.256 122 HD3 PRO 14 3HD PRO 14 -9.736 19.222 -4.059 123 H SER 15 H SER 15 -12.198 16.415 -4.784 124 HA SER 15 HA SER 15 -14.930 15.876 -5.356 125 HB2 SER 15 2HB SER 15 -13.653 13.699 -6.347 126 HB3 SER 15 3HB SER 15 -13.726 15.251 -7.181 127 HG SER 15 HG SER 15 -11.670 15.556 -6.803 128 H SER 16 H SER 16 -12.648 14.620 -3.072 129 HA SER 16 HA SER 16 -13.974 12.160 -2.535 130 HB2 SER 16 2HB SER 16 -11.717 12.218 -1.876 131 HB3 SER 16 3HB SER 16 -11.898 13.779 -1.074 132 HG SER 16 HG SER 16 -11.812 12.110 0.453 133 H GLU 17 H GLU 17 -14.268 15.425 -1.311 134 HA GLU 17 HA GLU 17 -16.047 14.635 0.835 135 HB2 GLU 17 2HB GLU 17 -14.395 16.841 0.349 136 HB3 GLU 17 3HB GLU 17 -16.033 17.472 0.258 137 HG2 GLU 17 2HG GLU 17 -16.153 15.924 2.498 138 HG3 GLU 17 3HG GLU 17 -14.502 16.537 2.561 Start of MODEL 2 1 H1 ARG 1 H ARG 1 5.214 0.250 -1.781 2 HA ARG 1 HA ARG 1 2.860 -0.425 -2.378 3 HB2 ARG 1 2HB ARG 1 2.393 0.434 0.481 4 HB3 ARG 1 3HB ARG 1 1.184 -0.147 -0.656 5 HG2 ARG 1 2HG ARG 1 3.496 -1.793 0.344 6 HG3 ARG 1 3HG ARG 1 1.874 -1.820 1.038 7 HD2 ARG 1 2HD ARG 1 1.585 -3.530 -0.406 8 HD3 ARG 1 3HD ARG 1 1.277 -2.226 -1.551 9 HE ARG 1 HE ARG 1 3.999 -2.669 -1.611 10 HH11 ARG 1 1HH1 ARG 1 1.106 -4.499 -2.251 11 HH12 ARG 1 2HH1 ARG 1 1.853 -5.509 -3.444 12 HH21 ARG 1 1HH2 ARG 1 4.993 -3.993 -3.180 13 HH22 ARG 1 2HH2 ARG 1 4.064 -5.221 -3.971 14 H SER 2 H SER 2 4.284 1.545 -3.291 15 HA SER 2 HA SER 2 3.434 4.131 -2.358 16 HB2 SER 2 2HB SER 2 5.641 3.352 -3.658 17 HB3 SER 2 3HB SER 2 4.667 3.824 -5.050 18 HG SER 2 HG SER 2 5.880 5.579 -4.250 19 H LYS 3 H LYS 3 2.426 1.848 -4.775 20 HA LYS 3 HA LYS 3 0.875 3.648 -6.345 21 HB2 LYS 3 2HB LYS 3 1.706 1.048 -6.627 22 HB3 LYS 3 3HB LYS 3 -0.010 0.848 -6.298 23 HG2 LYS 3 2HG LYS 3 -0.523 2.383 -8.149 24 HG3 LYS 3 3HG LYS 3 1.203 2.510 -8.497 25 HD2 LYS 3 2HD LYS 3 0.667 0.854 -9.966 26 HD3 LYS 3 3HD LYS 3 0.991 -0.140 -8.543 27 HE2 LYS 3 2HE LYS 3 -1.062 -0.881 -9.524 28 HE3 LYS 3 3HE LYS 3 -1.440 -0.055 -8.014 29 HZ1 LYS 3 3HZ LYS 3 -2.912 1.040 -9.272 30 HZ2 LYS 3 1HZ LYS 3 -2.138 0.652 -10.726 31 HZ3 LYS 3 2HZ LYS 3 -1.583 1.948 -9.792 32 H ASP 4 H ASP 4 0.286 1.787 -3.454 33 HA ASP 4 HA ASP 4 -2.553 1.972 -3.497 34 HB2 ASP 4 2HB ASP 4 -0.525 0.875 -1.765 35 HB3 ASP 4 3HB ASP 4 -1.717 1.758 -0.817 36 H LEU 5 H LEU 5 0.011 4.052 -2.375 37 HA LEU 5 HA LEU 5 -1.662 5.745 -0.786 38 HB2 LEU 5 2HB LEU 5 1.126 5.493 -1.390 39 HB3 LEU 5 3HB LEU 5 0.627 7.169 -1.610 40 HG LEU 5 HG LEU 5 -0.468 6.390 0.842 41 HD11 LEU 5 1HD1 LEU 5 1.141 5.297 2.070 42 HD12 LEU 5 2HD1 LEU 5 2.436 5.715 0.949 43 HD13 LEU 5 3HD1 LEU 5 1.265 4.470 0.517 44 HD21 LEU 5 3HD2 LEU 5 0.756 8.166 1.673 45 HD22 LEU 5 1HD2 LEU 5 0.651 8.558 -0.043 46 HD23 LEU 5 2HD2 LEU 5 2.130 7.853 0.612 47 H ARG 6 H ARG 6 -0.742 5.591 -4.132 48 HA ARG 6 HA ARG 6 -1.208 8.209 -4.948 49 HB2 ARG 6 2HB ARG 6 -0.861 5.651 -6.194 50 HB3 ARG 6 3HB ARG 6 -2.187 6.496 -6.980 51 HG2 ARG 6 2HG ARG 6 -0.430 7.242 -8.224 52 HG3 ARG 6 3HG ARG 6 -0.487 8.496 -6.983 53 HD2 ARG 6 2HD ARG 6 1.115 6.368 -6.005 54 HD3 ARG 6 3HD ARG 6 1.649 6.738 -7.644 55 HE ARG 6 HE ARG 6 2.009 8.350 -5.316 56 HH11 ARG 6 1HH1 ARG 6 1.581 8.455 -8.769 57 HH12 ARG 6 2HH1 ARG 6 2.388 9.977 -8.954 58 HH21 ARG 6 1HH2 ARG 6 3.074 10.354 -5.547 59 HH22 ARG 6 2HH2 ARG 6 3.238 11.056 -7.121 60 H HIS 7 H HIS 7 -3.452 5.640 -4.183 61 HA HIS 7 HA HIS 7 -5.748 6.941 -5.300 62 HB2 HIS 7 2HB HIS 7 -5.153 4.394 -4.206 63 HB3 HIS 7 3HB HIS 7 -6.471 5.070 -3.253 64 HD1 HIS 7 HD1 HIS 7 -8.129 6.459 -5.363 65 HD2 HIS 7 HD2 HIS 7 -6.399 2.726 -5.935 66 HE1 HIS 7 HE1 HIS 7 -9.485 5.361 -7.174 67 H ALA 8 H ALA 8 -3.974 7.237 -2.394 68 HA ALA 8 HA ALA 8 -6.109 8.213 -0.750 69 HB1 ALA 8 1HB ALA 8 -4.619 8.071 0.903 70 HB2 ALA 8 2HB ALA 8 -3.544 7.328 -0.282 71 HB3 ALA 8 3HB ALA 8 -3.441 9.059 0.039 72 H PHE 9 H PHE 9 -4.005 9.579 -3.115 73 HA PHE 9 HA PHE 9 -3.970 12.259 -2.282 74 HB2 PHE 9 2HB PHE 9 -2.638 11.089 -4.172 75 HB3 PHE 9 3HB PHE 9 -4.033 11.462 -5.180 76 HD1 PHE 9 HD1 PHE 9 -2.086 13.319 -2.590 77 HD2 PHE 9 HD2 PHE 9 -3.661 13.259 -6.543 78 HE1 PHE 9 HE1 PHE 9 -1.195 15.580 -2.975 79 HE2 PHE 9 HE2 PHE 9 -2.772 15.519 -6.936 80 HZ PHE 9 HZ PHE 9 -1.537 16.682 -5.151 81 H ARG 10 H ARG 10 -6.429 10.344 -3.793 82 HA ARG 10 HA ARG 10 -7.992 12.526 -4.779 83 HB2 ARG 10 2HB ARG 10 -8.212 9.606 -4.652 84 HB3 ARG 10 3HB ARG 10 -9.753 10.435 -4.477 85 HG2 ARG 10 2HG ARG 10 -9.837 10.912 -6.642 86 HG3 ARG 10 3HG ARG 10 -8.193 11.553 -6.636 87 HD2 ARG 10 2HD ARG 10 -7.456 9.091 -6.598 88 HD3 ARG 10 3HD ARG 10 -9.114 8.733 -7.079 89 HE ARG 10 HE ARG 10 -8.652 9.543 -9.176 90 HH11 ARG 10 1HH1 ARG 10 -6.101 10.457 -6.989 91 HH12 ARG 10 2HH1 ARG 10 -5.061 11.046 -8.243 92 HH21 ARG 10 1HH2 ARG 10 -7.290 10.316 -10.835 93 HH22 ARG 10 2HH2 ARG 10 -5.738 10.967 -10.430 94 H SEP 11 H SEP 11 -7.673 10.857 -1.720 95 HA SEP 11 HA SEP 11 -10.234 11.635 -0.647 96 HB2 SEP 11 2HB SEP 11 -8.718 9.748 0.292 97 HB3 SEP 11 3HB SEP 11 -7.661 10.965 0.962 98 H MET 12 H MET 12 -7.103 13.158 -0.813 99 HA MET 12 HA MET 12 -7.731 15.361 0.877 100 HB2 MET 12 2HB MET 12 -5.413 14.534 0.227 101 HB3 MET 12 3HB MET 12 -5.660 15.342 -1.316 102 HG2 MET 12 2HG MET 12 -4.807 17.157 -0.381 103 HG3 MET 12 3HG MET 12 -6.294 17.274 0.557 104 HE1 MET 12 3HE MET 12 -2.786 15.916 0.275 105 HE2 MET 12 1HE MET 12 -2.256 15.606 1.929 106 HE3 MET 12 2HE MET 12 -3.333 14.467 1.120 107 H PHE 13 H PHE 13 -8.310 14.622 -2.457 108 HA PHE 13 HA PHE 13 -8.718 17.281 -3.374 109 HB2 PHE 13 2HB PHE 13 -9.057 14.566 -4.432 110 HB3 PHE 13 3HB PHE 13 -10.243 15.716 -5.042 111 HD1 PHE 13 HD2 PHE 13 -6.582 15.782 -4.299 112 HD2 PHE 13 HD1 PHE 13 -9.700 16.594 -7.079 113 HE1 PHE 13 HE2 PHE 13 -4.924 16.631 -5.905 114 HE2 PHE 13 HE1 PHE 13 -8.047 17.444 -8.691 115 HZ PHE 13 HZ PHE 13 -5.655 17.464 -8.104 116 HA PRO 14 HA PRO 14 -12.807 18.177 -2.051 117 HB2 PRO 14 2HB PRO 14 -13.843 19.490 -4.185 118 HB3 PRO 14 3HB PRO 14 -12.590 20.186 -3.150 119 HG2 PRO 14 2HG PRO 14 -12.335 18.893 -5.830 120 HG3 PRO 14 3HG PRO 14 -11.492 20.313 -5.183 121 HD2 PRO 14 2HD PRO 14 -10.402 17.829 -5.340 122 HD3 PRO 14 3HD PRO 14 -9.900 19.048 -4.152 123 H SER 15 H SER 15 -12.349 16.221 -4.849 124 HA SER 15 HA SER 15 -15.078 15.672 -5.428 125 HB2 SER 15 2HB SER 15 -12.451 14.472 -6.196 126 HB3 SER 15 3HB SER 15 -13.917 13.532 -6.478 127 HG SER 15 HG SER 15 -13.285 14.907 -8.254 128 H SER 16 H SER 16 -12.807 14.446 -3.117 129 HA SER 16 HA SER 16 -14.167 12.001 -2.555 130 HB2 SER 16 2HB SER 16 -12.028 11.800 -1.785 131 HB3 SER 16 3HB SER 16 -11.895 13.516 -1.397 132 HG SER 16 HG SER 16 -12.015 11.894 0.401 133 H GLU 17 H GLU 17 -14.360 15.281 -1.348 134 HA GLU 17 HA GLU 17 -16.102 14.556 0.847 135 HB2 GLU 17 2HB GLU 17 -14.415 16.696 0.336 136 HB3 GLU 17 3HB GLU 17 -16.022 17.387 0.154 137 HG2 GLU 17 2HG GLU 17 -15.451 17.720 2.397 138 HG3 GLU 17 3HG GLU 17 -16.569 16.357 2.400 Start of MODEL 3 1 H1 ARG 1 H ARG 1 3.263 0.349 1.193 2 HA ARG 1 HA ARG 1 3.917 0.649 -0.988 3 HB2 ARG 1 2HB ARG 1 0.994 -0.046 -1.122 4 HB3 ARG 1 3HB ARG 1 1.951 0.154 -2.583 5 HG2 ARG 1 2HG ARG 1 3.034 -1.645 -0.498 6 HG3 ARG 1 3HG ARG 1 1.617 -2.197 -1.394 7 HD2 ARG 1 2HD ARG 1 3.280 -1.171 -3.351 8 HD3 ARG 1 3HD ARG 1 4.388 -1.973 -2.239 9 HE ARG 1 HE ARG 1 2.337 -3.757 -2.663 10 HH11 ARG 1 1HH1 ARG 1 4.692 -2.103 -4.623 11 HH12 ARG 1 2HH1 ARG 1 4.780 -3.361 -5.811 12 HH21 ARG 1 1HH2 ARG 1 2.444 -5.421 -4.221 13 HH22 ARG 1 2HH2 ARG 1 3.500 -5.247 -5.581 14 H SER 2 H SER 2 4.058 2.071 -2.731 15 HA SER 2 HA SER 2 3.093 4.725 -2.194 16 HB2 SER 2 2HB SER 2 4.591 3.753 -4.635 17 HB3 SER 2 3HB SER 2 4.459 5.414 -4.057 18 HG SER 2 HG SER 2 6.452 4.294 -3.501 19 H LYS 3 H LYS 3 2.233 2.095 -4.301 20 HA LYS 3 HA LYS 3 0.636 3.617 -6.109 21 HB2 LYS 3 2HB LYS 3 0.983 0.702 -5.519 22 HB3 LYS 3 3HB LYS 3 -0.371 1.226 -6.512 23 HG2 LYS 3 2HG LYS 3 1.045 2.078 -8.182 24 HG3 LYS 3 3HG LYS 3 2.459 2.014 -7.127 25 HD2 LYS 3 2HD LYS 3 1.749 -0.578 -7.095 26 HD3 LYS 3 3HD LYS 3 1.155 -0.126 -8.695 27 HE2 LYS 3 2HE LYS 3 3.623 1.039 -8.658 28 HE3 LYS 3 3HE LYS 3 3.900 -0.421 -7.711 29 HZ1 LYS 3 3HZ LYS 3 4.116 -0.430 -10.306 30 HZ2 LYS 3 1HZ LYS 3 2.442 -0.665 -10.239 31 HZ3 LYS 3 2HZ LYS 3 3.481 -1.765 -9.484 32 H ASP 4 H ASP 4 0.066 2.024 -3.051 33 HA ASP 4 HA ASP 4 -2.794 2.182 -3.202 34 HB2 ASP 4 2HB ASP 4 -0.801 1.164 -1.324 35 HB3 ASP 4 3HB ASP 4 -2.166 1.932 -0.519 36 H LEU 5 H LEU 5 -0.221 4.226 -2.046 37 HA LEU 5 HA LEU 5 -1.894 5.958 -0.498 38 HB2 LEU 5 2HB LEU 5 0.909 6.205 -1.556 39 HB3 LEU 5 3HB LEU 5 0.128 7.482 -0.627 40 HG LEU 5 HG LEU 5 0.600 4.685 0.397 41 HD11 LEU 5 1HD1 LEU 5 2.323 7.082 0.331 42 HD12 LEU 5 2HD1 LEU 5 2.752 5.373 0.397 43 HD13 LEU 5 3HD1 LEU 5 2.241 6.211 1.862 44 HD21 LEU 5 3HD2 LEU 5 -0.783 5.294 2.022 45 HD22 LEU 5 1HD2 LEU 5 -0.954 6.907 1.331 46 HD23 LEU 5 2HD2 LEU 5 0.355 6.568 2.463 47 H ARG 6 H ARG 6 -0.922 5.763 -3.826 48 HA ARG 6 HA ARG 6 -1.333 8.381 -4.670 49 HB2 ARG 6 2HB ARG 6 -0.975 5.823 -5.888 50 HB3 ARG 6 3HB ARG 6 -2.311 6.637 -6.691 51 HG2 ARG 6 2HG ARG 6 -0.951 8.055 -7.733 52 HG3 ARG 6 3HG ARG 6 -0.037 8.391 -6.261 53 HD2 ARG 6 2HD ARG 6 1.530 6.815 -6.714 54 HD3 ARG 6 3HD ARG 6 0.374 5.737 -7.494 55 HE ARG 6 HE ARG 6 0.850 8.075 -9.049 56 HH11 ARG 6 1HH1 ARG 6 2.182 4.976 -8.186 57 HH12 ARG 6 2HH1 ARG 6 3.092 4.813 -9.652 58 HH21 ARG 6 1HH2 ARG 6 2.044 7.873 -10.982 59 HH22 ARG 6 2HH2 ARG 6 3.014 6.462 -11.241 60 H HIS 7 H HIS 7 -3.629 5.855 -3.922 61 HA HIS 7 HA HIS 7 -5.886 7.183 -5.087 62 HB2 HIS 7 2HB HIS 7 -5.351 4.660 -3.787 63 HB3 HIS 7 3HB HIS 7 -6.813 5.390 -3.131 64 HD1 HIS 7 HD1 HIS 7 -8.721 4.307 -4.265 65 HD2 HIS 7 HD2 HIS 7 -5.633 5.154 -6.912 66 HE1 HIS 7 HE1 HIS 7 -9.579 3.643 -6.533 67 H ALA 8 H ALA 8 -4.155 7.474 -2.154 68 HA ALA 8 HA ALA 8 -6.300 8.498 -0.553 69 HB1 ALA 8 1HB ALA 8 -4.840 8.165 1.082 70 HB2 ALA 8 2HB ALA 8 -3.637 7.689 -0.117 71 HB3 ALA 8 3HB ALA 8 -3.752 9.372 0.397 72 H PHE 9 H PHE 9 -4.136 9.811 -2.894 73 HA PHE 9 HA PHE 9 -4.096 12.501 -2.072 74 HB2 PHE 9 2HB PHE 9 -3.057 11.011 -4.205 75 HB3 PHE 9 3HB PHE 9 -4.081 12.232 -4.955 76 HD1 PHE 9 HD2 PHE 9 -3.735 14.670 -4.124 77 HD2 PHE 9 HD1 PHE 9 -0.893 11.542 -3.620 78 HE1 PHE 9 HE2 PHE 9 -1.951 16.341 -3.838 79 HE2 PHE 9 HE1 PHE 9 0.895 13.208 -3.332 80 HZ PHE 9 HZ PHE 9 0.367 15.611 -3.442 81 H ARG 10 H ARG 10 -6.504 10.591 -3.671 82 HA ARG 10 HA ARG 10 -8.008 12.769 -4.746 83 HB2 ARG 10 2HB ARG 10 -8.031 10.215 -5.356 84 HB3 ARG 10 3HB ARG 10 -9.243 10.124 -4.085 85 HG2 ARG 10 2HG ARG 10 -10.787 10.774 -5.525 86 HG3 ARG 10 3HG ARG 10 -9.931 12.301 -5.750 87 HD2 ARG 10 2HD ARG 10 -10.048 11.444 -7.905 88 HD3 ARG 10 3HD ARG 10 -8.438 10.963 -7.373 89 HE ARG 10 HE ARG 10 -10.196 8.893 -6.747 90 HH11 ARG 10 1HH1 ARG 10 -8.912 10.485 -9.564 91 HH12 ARG 10 2HH1 ARG 10 -9.029 9.081 -10.571 92 HH21 ARG 10 1HH2 ARG 10 -10.355 7.037 -8.064 93 HH22 ARG 10 2HH2 ARG 10 -9.850 7.121 -9.718 94 H SEP 11 H SEP 11 -7.819 11.162 -1.645 95 HA SEP 11 HA SEP 11 -10.414 11.992 -0.690 96 HB2 SEP 11 2HB SEP 11 -8.828 10.112 0.305 97 HB3 SEP 11 3HB SEP 11 -7.979 11.393 1.132 98 H MET 12 H MET 12 -7.251 13.456 -0.750 99 HA MET 12 HA MET 12 -7.872 15.684 0.894 100 HB2 MET 12 2HB MET 12 -5.643 14.804 -0.779 101 HB3 MET 12 3HB MET 12 -5.865 16.548 -0.795 102 HG2 MET 12 2HG MET 12 -5.871 15.134 1.819 103 HG3 MET 12 3HG MET 12 -4.338 15.377 0.985 104 HE1 MET 12 3HE MET 12 -3.215 16.472 2.414 105 HE2 MET 12 1HE MET 12 -3.093 18.223 2.242 106 HE3 MET 12 2HE MET 12 -3.891 17.530 3.653 107 H PHE 13 H PHE 13 -8.438 14.932 -2.439 108 HA PHE 13 HA PHE 13 -8.809 17.590 -3.375 109 HB2 PHE 13 2HB PHE 13 -9.228 14.865 -4.413 110 HB3 PHE 13 3HB PHE 13 -10.323 16.078 -5.068 111 HD1 PHE 13 HD2 PHE 13 -6.704 16.085 -4.151 112 HD2 PHE 13 HD1 PHE 13 -9.652 16.757 -7.148 113 HE1 PHE 13 HE2 PHE 13 -4.948 16.824 -5.708 114 HE2 PHE 13 HE1 PHE 13 -7.900 17.496 -8.710 115 HZ PHE 13 HZ PHE 13 -5.545 17.531 -7.990 116 HA PRO 14 HA PRO 14 -12.896 18.542 -2.084 117 HB2 PRO 14 2HB PRO 14 -13.903 19.853 -4.232 118 HB3 PRO 14 3HB PRO 14 -12.649 20.541 -3.193 119 HG2 PRO 14 2HG PRO 14 -12.389 19.225 -5.862 120 HG3 PRO 14 3HG PRO 14 -11.540 20.644 -5.223 121 HD2 PRO 14 2HD PRO 14 -10.475 18.146 -5.355 122 HD3 PRO 14 3HD PRO 14 -9.965 19.366 -4.171 123 H SER 15 H SER 15 -12.443 16.563 -4.866 124 HA SER 15 HA SER 15 -15.174 16.044 -5.461 125 HB2 SER 15 2HB SER 15 -13.530 15.599 -7.156 126 HB3 SER 15 3HB SER 15 -12.642 14.513 -6.088 127 HG SER 15 HG SER 15 -14.249 13.661 -7.766 128 H SER 16 H SER 16 -12.934 14.806 -3.126 129 HA SER 16 HA SER 16 -14.278 12.365 -2.563 130 HB2 SER 16 2HB SER 16 -12.639 12.020 -1.012 131 HB3 SER 16 3HB SER 16 -11.854 13.331 -1.892 132 HG SER 16 HG SER 16 -11.908 14.394 -0.093 133 H GLU 17 H GLU 17 -14.597 15.655 -1.411 134 HA GLU 17 HA GLU 17 -16.478 14.875 0.667 135 HB2 GLU 17 2HB GLU 17 -15.575 17.632 -0.182 136 HB3 GLU 17 3HB GLU 17 -16.510 17.245 1.256 137 HG2 GLU 17 2HG GLU 17 -14.663 16.044 2.204 138 HG3 GLU 17 3HG GLU 17 -13.729 16.230 0.721 Start of MODEL 4 1 H1 ARG 1 H ARG 1 1.984 0.135 1.193 2 HA ARG 1 HA ARG 1 3.719 0.667 -0.388 3 HB2 ARG 1 2HB ARG 1 1.087 -0.150 -1.565 4 HB3 ARG 1 3HB ARG 1 2.467 0.128 -2.618 5 HG2 ARG 1 2HG ARG 1 3.629 -1.485 -0.844 6 HG3 ARG 1 3HG ARG 1 1.963 -2.044 -0.679 7 HD2 ARG 1 2HD ARG 1 1.837 -2.693 -2.923 8 HD3 ARG 1 3HD ARG 1 3.240 -1.724 -3.373 9 HE ARG 1 HE ARG 1 4.009 -3.700 -1.519 10 HH11 ARG 1 1HH1 ARG 1 3.004 -3.341 -4.832 11 HH12 ARG 1 2HH1 ARG 1 3.865 -4.740 -5.382 12 HH21 ARG 1 1HH2 ARG 1 5.147 -5.545 -2.230 13 HH22 ARG 1 2HH2 ARG 1 5.083 -5.993 -3.901 14 H SER 2 H SER 2 3.860 1.645 -2.770 15 HA SER 2 HA SER 2 3.340 4.482 -2.419 16 HB2 SER 2 2HB SER 2 5.554 3.431 -3.246 17 HB3 SER 2 3HB SER 2 4.727 3.255 -4.794 18 HG SER 2 HG SER 2 5.856 5.439 -3.735 19 H LYS 3 H LYS 3 2.219 1.806 -4.333 20 HA LYS 3 HA LYS 3 0.823 3.464 -6.243 21 HB2 LYS 3 2HB LYS 3 0.682 0.482 -5.754 22 HB3 LYS 3 3HB LYS 3 -0.047 1.327 -7.114 23 HG2 LYS 3 2HG LYS 3 1.847 1.248 -8.258 24 HG3 LYS 3 3HG LYS 3 2.747 1.969 -6.922 25 HD2 LYS 3 2HD LYS 3 3.399 -0.059 -6.088 26 HD3 LYS 3 3HD LYS 3 1.969 -0.893 -6.700 27 HE2 LYS 3 2HE LYS 3 3.734 0.199 -8.774 28 HE3 LYS 3 3HE LYS 3 4.462 -1.064 -7.784 29 HZ1 LYS 3 3HZ LYS 3 3.416 -2.485 -9.113 30 HZ2 LYS 3 1HZ LYS 3 2.458 -1.277 -9.809 31 HZ3 LYS 3 2HZ LYS 3 1.973 -2.016 -8.367 32 H ASP 4 H ASP 4 0.135 1.843 -3.244 33 HA ASP 4 HA ASP 4 -2.726 2.021 -3.507 34 HB2 ASP 4 2HB ASP 4 -0.858 0.778 -1.711 35 HB3 ASP 4 3HB ASP 4 -2.032 1.709 -0.785 36 H LEU 5 H LEU 5 -0.169 4.013 -2.269 37 HA LEU 5 HA LEU 5 -1.835 5.701 -0.667 38 HB2 LEU 5 2HB LEU 5 0.770 5.281 -0.649 39 HB3 LEU 5 3HB LEU 5 0.766 6.642 -1.769 40 HG LEU 5 HG LEU 5 -0.637 6.915 0.851 41 HD11 LEU 5 1HD1 LEU 5 1.327 6.172 1.778 42 HD12 LEU 5 2HD1 LEU 5 1.669 7.892 1.600 43 HD13 LEU 5 3HD1 LEU 5 2.308 6.741 0.428 44 HD21 LEU 5 3HD2 LEU 5 -0.156 8.571 -1.318 45 HD22 LEU 5 1HD2 LEU 5 1.016 9.092 -0.107 46 HD23 LEU 5 2HD2 LEU 5 -0.703 9.067 0.285 47 H ARG 6 H ARG 6 -0.875 5.599 -4.003 48 HA ARG 6 HA ARG 6 -1.288 8.240 -4.772 49 HB2 ARG 6 2HB ARG 6 -1.527 5.612 -6.190 50 HB3 ARG 6 3HB ARG 6 -2.026 7.089 -7.005 51 HG2 ARG 6 2HG ARG 6 0.376 7.878 -6.156 52 HG3 ARG 6 3HG ARG 6 0.674 6.142 -6.275 53 HD2 ARG 6 2HD ARG 6 0.655 6.183 -8.513 54 HD3 ARG 6 3HD ARG 6 -0.762 7.231 -8.568 55 HE ARG 6 HE ARG 6 1.252 8.889 -7.801 56 HH11 ARG 6 1HH1 ARG 6 0.780 6.703 -10.469 57 HH12 ARG 6 2HH1 ARG 6 1.753 7.625 -11.566 58 HH21 ARG 6 1HH2 ARG 6 2.535 10.112 -9.236 59 HH22 ARG 6 2HH2 ARG 6 2.752 9.564 -10.864 60 H HIS 7 H HIS 7 -3.583 5.695 -4.086 61 HA HIS 7 HA HIS 7 -5.843 7.055 -5.205 62 HB2 HIS 7 2HB HIS 7 -5.336 4.472 -4.351 63 HB3 HIS 7 3HB HIS 7 -6.450 5.088 -3.133 64 HD1 HIS 7 HD1 HIS 7 -6.785 3.028 -5.765 65 HD2 HIS 7 HD2 HIS 7 -8.510 6.734 -5.025 66 HE1 HIS 7 HE1 HIS 7 -8.867 3.093 -7.173 67 H ALA 8 H ALA 8 -4.102 7.264 -2.272 68 HA ALA 8 HA ALA 8 -6.241 8.242 -0.635 69 HB1 ALA 8 1HB ALA 8 -4.217 7.130 0.273 70 HB2 ALA 8 2HB ALA 8 -3.274 8.544 -0.199 71 HB3 ALA 8 3HB ALA 8 -4.549 8.698 1.009 72 H PHE 9 H PHE 9 -4.085 9.620 -2.946 73 HA PHE 9 HA PHE 9 -4.025 12.283 -2.055 74 HB2 PHE 9 2HB PHE 9 -3.596 10.925 -4.680 75 HB3 PHE 9 3HB PHE 9 -3.770 12.676 -4.661 76 HD1 PHE 9 HD1 PHE 9 -1.759 9.859 -3.383 77 HD2 PHE 9 HD2 PHE 9 -2.017 14.072 -3.926 78 HE1 PHE 9 HE1 PHE 9 0.611 10.080 -2.763 79 HE2 PHE 9 HE2 PHE 9 0.353 14.301 -3.308 80 HZ PHE 9 HZ PHE 9 1.671 12.303 -2.726 81 H ARG 10 H ARG 10 -6.471 10.435 -3.674 82 HA ARG 10 HA ARG 10 -7.984 12.654 -4.646 83 HB2 ARG 10 2HB ARG 10 -8.309 9.724 -4.497 84 HB3 ARG 10 3HB ARG 10 -9.805 10.647 -4.482 85 HG2 ARG 10 2HG ARG 10 -7.996 11.610 -6.517 86 HG3 ARG 10 3HG ARG 10 -8.333 9.887 -6.704 87 HD2 ARG 10 2HD ARG 10 -10.815 10.790 -6.207 88 HD3 ARG 10 3HD ARG 10 -10.126 12.220 -6.976 89 HE ARG 10 HE ARG 10 -10.889 9.809 -8.258 90 HH11 ARG 10 1HH1 ARG 10 -8.498 12.338 -8.336 91 HH12 ARG 10 2HH1 ARG 10 -8.169 12.154 -10.027 92 HH21 ARG 10 1HH2 ARG 10 -10.464 9.557 -10.485 93 HH22 ARG 10 2HH2 ARG 10 -9.289 10.573 -11.249 94 H SEP 11 H SEP 11 -7.748 10.940 -1.606 95 HA SEP 11 HA SEP 11 -10.324 11.765 -0.582 96 HB2 SEP 11 2HB SEP 11 -9.224 9.816 0.470 97 HB3 SEP 11 3HB SEP 11 -7.770 10.714 0.825 98 H MET 12 H MET 12 -7.134 13.169 -0.623 99 HA MET 12 HA MET 12 -7.684 15.333 1.126 100 HB2 MET 12 2HB MET 12 -5.399 14.521 0.505 101 HB3 MET 12 3HB MET 12 -5.630 15.231 -1.087 102 HG2 MET 12 2HG MET 12 -6.162 17.379 0.378 103 HG3 MET 12 3HG MET 12 -5.122 16.532 1.521 104 HE1 MET 12 3HE MET 12 -5.282 19.163 -0.673 105 HE2 MET 12 1HE MET 12 -3.816 19.258 -1.650 106 HE3 MET 12 2HE MET 12 -5.161 18.246 -2.175 107 H PHE 13 H PHE 13 -8.327 14.742 -2.224 108 HA PHE 13 HA PHE 13 -8.664 17.446 -3.033 109 HB2 PHE 13 2HB PHE 13 -9.172 14.777 -4.183 110 HB3 PHE 13 3HB PHE 13 -10.232 16.054 -4.770 111 HD1 PHE 13 HD2 PHE 13 -6.604 15.497 -4.089 112 HD2 PHE 13 HD1 PHE 13 -9.560 17.203 -6.633 113 HE1 PHE 13 HE2 PHE 13 -4.840 16.244 -5.632 114 HE2 PHE 13 HE1 PHE 13 -7.800 17.952 -8.181 115 HZ PHE 13 HZ PHE 13 -5.437 17.474 -7.681 116 HA PRO 14 HA PRO 14 -12.708 18.413 -1.621 117 HB2 PRO 14 2HB PRO 14 -13.729 19.838 -3.688 118 HB3 PRO 14 3HB PRO 14 -12.443 20.455 -2.645 119 HG2 PRO 14 2HG PRO 14 -12.260 19.259 -5.375 120 HG3 PRO 14 3HG PRO 14 -11.369 20.629 -4.687 121 HD2 PRO 14 2HD PRO 14 -10.356 18.121 -4.954 122 HD3 PRO 14 3HD PRO 14 -9.801 19.277 -3.726 123 H SER 15 H SER 15 -12.344 16.552 -4.496 124 HA SER 15 HA SER 15 -15.095 16.110 -5.061 125 HB2 SER 15 2HB SER 15 -12.813 14.254 -5.754 126 HB3 SER 15 3HB SER 15 -14.351 14.436 -6.598 127 HG SER 15 HG SER 15 -13.416 15.914 -7.741 128 H SER 16 H SER 16 -12.837 14.729 -2.826 129 HA SER 16 HA SER 16 -14.218 12.291 -2.344 130 HB2 SER 16 2HB SER 16 -12.500 11.835 -0.943 131 HB3 SER 16 3HB SER 16 -11.770 13.287 -1.627 132 HG SER 16 HG SER 16 -13.194 13.006 0.798 133 H GLU 17 H GLU 17 -14.582 15.544 -1.196 134 HA GLU 17 HA GLU 17 -16.282 14.776 1.024 135 HB2 GLU 17 2HB GLU 17 -14.654 16.834 0.829 136 HB3 GLU 17 3HB GLU 17 -16.034 17.592 0.046 137 HG2 GLU 17 2HG GLU 17 -15.893 16.493 2.840 138 HG3 GLU 17 3HG GLU 17 -16.070 18.178 2.352 Start of MODEL 5 1 H1 ARG 1 H ARG 1 2.934 0.419 1.121 2 HA ARG 1 HA ARG 1 4.226 0.403 -0.776 3 HB2 ARG 1 2HB ARG 1 1.609 -0.388 -2.035 4 HB3 ARG 1 3HB ARG 1 3.032 -0.042 -3.008 5 HG2 ARG 1 2HG ARG 1 4.132 -1.781 -1.335 6 HG3 ARG 1 3HG ARG 1 2.460 -2.336 -1.225 7 HD2 ARG 1 2HD ARG 1 2.849 -1.962 -3.934 8 HD3 ARG 1 3HD ARG 1 4.387 -2.625 -3.383 9 HE ARG 1 HE ARG 1 1.929 -4.024 -3.644 10 HH11 ARG 1 1HH1 ARG 1 4.803 -3.813 -1.690 11 HH12 ARG 1 2HH1 ARG 1 4.733 -5.467 -1.177 12 HH21 ARG 1 1HH2 ARG 1 1.826 -6.202 -2.976 13 HH22 ARG 1 2HH2 ARG 1 3.040 -6.825 -1.910 14 H SER 2 H SER 2 4.225 1.643 -3.031 15 HA SER 2 HA SER 2 3.592 4.383 -2.356 16 HB2 SER 2 2HB SER 2 5.396 3.009 -4.194 17 HB3 SER 2 3HB SER 2 4.598 4.392 -4.942 18 HG SER 2 HG SER 2 6.599 4.363 -3.154 19 H LYS 3 H LYS 3 2.441 1.903 -4.531 20 HA LYS 3 HA LYS 3 0.830 3.646 -6.130 21 HB2 LYS 3 2HB LYS 3 1.276 0.727 -5.902 22 HB3 LYS 3 3HB LYS 3 -0.290 1.221 -6.533 23 HG2 LYS 3 2HG LYS 3 1.730 2.751 -7.827 24 HG3 LYS 3 3HG LYS 3 2.177 1.045 -7.894 25 HD2 LYS 3 2HD LYS 3 0.843 1.620 -9.831 26 HD3 LYS 3 3HD LYS 3 -0.064 0.523 -8.787 27 HE2 LYS 3 2HE LYS 3 -0.570 3.242 -8.025 28 HE3 LYS 3 3HE LYS 3 -0.857 3.043 -9.753 29 HZ1 LYS 3 3HZ LYS 3 -1.951 1.043 -7.907 30 HZ2 LYS 3 1HZ LYS 3 -2.548 1.573 -9.399 31 HZ3 LYS 3 2HZ LYS 3 -2.726 2.542 -8.025 32 H ASP 4 H ASP 4 0.397 1.890 -3.159 33 HA ASP 4 HA ASP 4 -2.462 2.035 -3.132 34 HB2 ASP 4 2HB ASP 4 -0.408 0.854 -1.523 35 HB3 ASP 4 3HB ASP 4 -1.473 1.795 -0.483 36 H LEU 5 H LEU 5 0.159 4.049 -1.981 37 HA LEU 5 HA LEU 5 -1.491 5.750 -0.375 38 HB2 LEU 5 2HB LEU 5 1.200 5.318 -0.600 39 HB3 LEU 5 3HB LEU 5 1.011 6.884 -1.387 40 HG LEU 5 HG LEU 5 -0.215 7.606 0.737 41 HD11 LEU 5 1HD1 LEU 5 -0.020 6.371 2.681 42 HD12 LEU 5 2HD1 LEU 5 1.301 5.389 2.050 43 HD13 LEU 5 3HD1 LEU 5 -0.345 5.127 1.475 44 HD21 LEU 5 3HD2 LEU 5 2.263 8.000 -0.035 45 HD22 LEU 5 1HD2 LEU 5 2.630 6.958 1.339 46 HD23 LEU 5 2HD2 LEU 5 1.738 8.459 1.585 47 H ARG 6 H ARG 6 -0.538 5.642 -3.713 48 HA ARG 6 HA ARG 6 -0.933 8.286 -4.481 49 HB2 ARG 6 2HB ARG 6 -0.439 5.853 -5.767 50 HB3 ARG 6 3HB ARG 6 -1.942 6.435 -6.469 51 HG2 ARG 6 2HG ARG 6 -0.630 8.682 -6.693 52 HG3 ARG 6 3HG ARG 6 0.783 7.632 -6.565 53 HD2 ARG 6 2HD ARG 6 0.078 6.357 -8.474 54 HD3 ARG 6 3HD ARG 6 -1.456 7.223 -8.540 55 HE ARG 6 HE ARG 6 0.365 9.197 -8.810 56 HH11 ARG 6 1HH1 ARG 6 -0.104 6.153 -10.432 57 HH12 ARG 6 2HH1 ARG 6 0.553 6.705 -11.937 58 HH21 ARG 6 1HH2 ARG 6 1.233 9.936 -10.786 59 HH22 ARG 6 2HH2 ARG 6 1.314 8.856 -12.137 60 H HIS 7 H HIS 7 -3.245 5.757 -3.792 61 HA HIS 7 HA HIS 7 -5.497 7.134 -4.907 62 HB2 HIS 7 2HB HIS 7 -5.102 4.564 -4.294 63 HB3 HIS 7 3HB HIS 7 -5.880 5.070 -2.797 64 HD1 HIS 7 HD1 HIS 7 -8.093 6.849 -3.714 65 HD2 HIS 7 HD2 HIS 7 -7.041 3.386 -5.755 66 HE1 HIS 7 HE1 HIS 7 -10.132 6.201 -5.035 67 H ALA 8 H ALA 8 -3.749 7.329 -1.976 68 HA ALA 8 HA ALA 8 -5.878 8.323 -0.336 69 HB1 ALA 8 1HB ALA 8 -4.407 8.148 1.337 70 HB2 ALA 8 2HB ALA 8 -3.366 7.347 0.159 71 HB3 ALA 8 3HB ALA 8 -3.177 9.072 0.473 72 H PHE 9 H PHE 9 -3.716 9.686 -2.650 73 HA PHE 9 HA PHE 9 -3.693 12.359 -1.740 74 HB2 PHE 9 2HB PHE 9 -2.721 10.897 -4.006 75 HB3 PHE 9 3HB PHE 9 -3.529 12.356 -4.569 76 HD1 PHE 9 HD2 PHE 9 -2.855 14.563 -3.389 77 HD2 PHE 9 HD1 PHE 9 -0.529 11.000 -3.296 78 HE1 PHE 9 HE2 PHE 9 -0.859 15.885 -2.825 79 HE2 PHE 9 HE1 PHE 9 1.471 12.316 -2.731 80 HZ PHE 9 HZ PHE 9 1.309 14.762 -2.497 81 H ARG 10 H ARG 10 -6.033 10.475 -3.464 82 HA ARG 10 HA ARG 10 -7.513 12.686 -4.520 83 HB2 ARG 10 2HB ARG 10 -8.014 9.740 -4.249 84 HB3 ARG 10 3HB ARG 10 -9.323 10.819 -4.715 85 HG2 ARG 10 2HG ARG 10 -7.140 11.493 -6.344 86 HG3 ARG 10 3HG ARG 10 -7.215 9.730 -6.312 87 HD2 ARG 10 2HD ARG 10 -9.698 9.979 -6.791 88 HD3 ARG 10 3HD ARG 10 -9.355 11.672 -7.143 89 HE ARG 10 HE ARG 10 -7.586 10.145 -8.644 90 HH11 ARG 10 1HH1 ARG 10 -11.021 10.662 -8.407 91 HH12 ARG 10 2HH1 ARG 10 -11.320 10.320 -10.078 92 HH21 ARG 10 1HH2 ARG 10 -7.967 9.692 -10.847 93 HH22 ARG 10 2HH2 ARG 10 -9.582 9.768 -11.466 94 H SEP 11 H SEP 11 -7.431 10.934 -1.493 95 HA SEP 11 HA SEP 11 -10.064 11.589 -0.584 96 HB2 SEP 11 2HB SEP 11 -8.296 9.875 0.446 97 HB3 SEP 11 3HB SEP 11 -7.652 11.239 1.324 98 H MET 12 H MET 12 -7.044 13.333 -0.557 99 HA MET 12 HA MET 12 -7.956 15.507 1.041 100 HB2 MET 12 2HB MET 12 -5.517 14.709 0.296 101 HB3 MET 12 3HB MET 12 -5.784 15.923 -0.947 102 HG2 MET 12 2HG MET 12 -5.691 17.648 0.515 103 HG3 MET 12 3HG MET 12 -6.373 16.708 1.840 104 HE1 MET 12 3HE MET 12 -3.261 16.229 -0.547 105 HE2 MET 12 1HE MET 12 -3.171 17.900 0.008 106 HE3 MET 12 2HE MET 12 -1.957 16.732 0.529 107 H PHE 13 H PHE 13 -8.211 14.684 -2.312 108 HA PHE 13 HA PHE 13 -8.724 17.295 -3.311 109 HB2 PHE 13 2HB PHE 13 -8.738 14.563 -4.342 110 HB3 PHE 13 3HB PHE 13 -10.012 15.558 -5.039 111 HD1 PHE 13 HD2 PHE 13 -6.512 16.332 -4.013 112 HD2 PHE 13 HD1 PHE 13 -9.381 16.191 -7.155 113 HE1 PHE 13 HE2 PHE 13 -4.877 17.343 -5.548 114 HE2 PHE 13 HE1 PHE 13 -7.750 17.201 -8.694 115 HZ PHE 13 HZ PHE 13 -5.495 17.780 -7.891 116 HA PRO 14 HA PRO 14 -12.960 17.920 -2.336 117 HB2 PRO 14 2HB PRO 14 -13.901 19.129 -4.576 118 HB3 PRO 14 3HB PRO 14 -12.801 19.926 -3.445 119 HG2 PRO 14 2HG PRO 14 -12.221 18.659 -6.080 120 HG3 PRO 14 3HG PRO 14 -11.514 20.112 -5.350 121 HD2 PRO 14 2HD PRO 14 -10.278 17.697 -5.416 122 HD3 PRO 14 3HD PRO 14 -9.957 18.965 -4.215 123 H SER 15 H SER 15 -12.144 15.971 -5.056 124 HA SER 15 HA SER 15 -14.773 15.228 -5.843 125 HB2 SER 15 2HB SER 15 -12.643 13.246 -6.300 126 HB3 SER 15 3HB SER 15 -13.735 14.016 -7.451 127 HG SER 15 HG SER 15 -11.963 15.037 -7.989 128 H SER 16 H SER 16 -12.616 14.186 -3.339 129 HA SER 16 HA SER 16 -13.883 11.667 -2.849 130 HB2 SER 16 2HB SER 16 -11.522 12.177 -2.211 131 HB3 SER 16 3HB SER 16 -12.132 13.283 -0.981 132 HG SER 16 HG SER 16 -11.973 11.473 0.147 133 H GLU 17 H GLU 17 -14.312 14.944 -1.719 134 HA GLU 17 HA GLU 17 -16.167 14.134 0.366 135 HB2 GLU 17 2HB GLU 17 -14.515 16.067 0.569 136 HB3 GLU 17 3HB GLU 17 -15.569 16.951 -0.525 137 HG2 GLU 17 2HG GLU 17 -17.365 16.138 1.305 138 HG3 GLU 17 3HG GLU 17 -15.925 16.268 2.313 Start of MODEL 6 1 H1 ARG 1 H ARG 1 4.058 1.810 0.587 2 HA ARG 1 HA ARG 1 4.451 0.603 -1.973 3 HB2 ARG 1 2HB ARG 1 1.623 0.564 -0.918 4 HB3 ARG 1 3HB ARG 1 2.203 -0.071 -2.452 5 HG2 ARG 1 2HG ARG 1 3.624 -1.668 -1.070 6 HG3 ARG 1 3HG ARG 1 2.634 -1.170 0.304 7 HD2 ARG 1 2HD ARG 1 0.698 -2.088 -0.600 8 HD3 ARG 1 3HD ARG 1 1.356 -2.107 -2.235 9 HE ARG 1 HE ARG 1 1.582 -4.162 -0.283 10 HH11 ARG 1 1HH1 ARG 1 3.266 -2.633 -2.918 11 HH12 ARG 1 2HH1 ARG 1 4.204 -4.037 -3.305 12 HH21 ARG 1 1HH2 ARG 1 2.811 -6.018 -0.783 13 HH22 ARG 1 2HH2 ARG 1 3.944 -5.962 -2.091 14 H SER 2 H SER 2 4.563 2.245 -3.343 15 HA SER 2 HA SER 2 3.424 4.815 -2.611 16 HB2 SER 2 2HB SER 2 5.027 5.740 -3.925 17 HB3 SER 2 3HB SER 2 5.775 4.148 -3.808 18 HG SER 2 HG SER 2 5.669 4.485 -5.942 19 H LYS 3 H LYS 3 2.864 2.221 -4.853 20 HA LYS 3 HA LYS 3 1.178 3.669 -6.641 21 HB2 LYS 3 2HB LYS 3 2.399 1.486 -7.115 22 HB3 LYS 3 3HB LYS 3 1.143 0.688 -6.177 23 HG2 LYS 3 2HG LYS 3 -0.448 1.975 -7.828 24 HG3 LYS 3 3HG LYS 3 0.990 1.974 -8.852 25 HD2 LYS 3 2HD LYS 3 0.320 -0.058 -9.507 26 HD3 LYS 3 3HD LYS 3 0.896 -0.614 -7.933 27 HE2 LYS 3 2HE LYS 3 -1.211 -0.787 -7.072 28 HE3 LYS 3 3HE LYS 3 -1.849 0.508 -8.084 29 HZ1 LYS 3 3HZ LYS 3 -2.225 -2.152 -8.484 30 HZ2 LYS 3 1HZ LYS 3 -1.006 -1.777 -9.596 31 HZ3 LYS 3 2HZ LYS 3 -2.475 -0.939 -9.636 32 H ASP 4 H ASP 4 0.705 2.017 -3.620 33 HA ASP 4 HA ASP 4 -2.175 1.941 -3.868 34 HB2 ASP 4 2HB ASP 4 -0.280 0.594 -2.302 35 HB3 ASP 4 3HB ASP 4 -1.202 1.576 -1.167 36 H LEU 5 H LEU 5 0.259 4.008 -2.474 37 HA LEU 5 HA LEU 5 -1.536 5.505 -0.823 38 HB2 LEU 5 2HB LEU 5 1.250 5.330 -1.209 39 HB3 LEU 5 3HB LEU 5 0.797 7.000 -1.542 40 HG LEU 5 HG LEU 5 -0.504 6.313 0.849 41 HD11 LEU 5 1HD1 LEU 5 1.766 5.836 2.113 42 HD12 LEU 5 2HD1 LEU 5 2.173 5.054 0.586 43 HD13 LEU 5 3HD1 LEU 5 0.756 4.529 1.495 44 HD21 LEU 5 3HD2 LEU 5 0.934 8.019 1.797 45 HD22 LEU 5 1HD2 LEU 5 0.388 8.509 0.193 46 HD23 LEU 5 2HD2 LEU 5 2.027 7.897 0.417 47 H ARG 6 H ARG 6 -0.488 5.658 -4.130 48 HA ARG 6 HA ARG 6 -1.025 8.315 -4.752 49 HB2 ARG 6 2HB ARG 6 -1.044 5.767 -6.316 50 HB3 ARG 6 3HB ARG 6 -1.667 7.231 -7.066 51 HG2 ARG 6 2HG ARG 6 0.673 8.147 -6.088 52 HG3 ARG 6 3HG ARG 6 1.092 6.464 -6.415 53 HD2 ARG 6 2HD ARG 6 1.585 7.801 -8.359 54 HD3 ARG 6 3HD ARG 6 0.227 6.734 -8.713 55 HE ARG 6 HE ARG 6 -0.929 9.064 -7.884 56 HH11 ARG 6 1HH1 ARG 6 1.351 8.190 -10.364 57 HH12 ARG 6 2HH1 ARG 6 0.864 9.456 -11.442 58 HH21 ARG 6 1HH2 ARG 6 -1.580 10.735 -9.293 59 HH22 ARG 6 2HH2 ARG 6 -0.803 10.904 -10.831 60 H HIS 7 H HIS 7 -3.194 5.615 -4.285 61 HA HIS 7 HA HIS 7 -5.496 6.920 -5.385 62 HB2 HIS 7 2HB HIS 7 -4.923 4.334 -4.833 63 HB3 HIS 7 3HB HIS 7 -5.891 4.743 -3.420 64 HD1 HIS 7 HD1 HIS 7 -8.264 4.184 -3.747 65 HD2 HIS 7 HD2 HIS 7 -6.451 5.309 -7.313 66 HE1 HIS 7 HE1 HIS 7 -10.061 4.012 -5.499 67 H ALA 8 H ALA 8 -3.843 7.041 -2.396 68 HA ALA 8 HA ALA 8 -6.073 7.804 -0.766 69 HB1 ALA 8 1HB ALA 8 -3.449 8.666 0.172 70 HB2 ALA 8 2HB ALA 8 -4.639 7.611 0.937 71 HB3 ALA 8 3HB ALA 8 -3.516 6.956 -0.255 72 H PHE 9 H PHE 9 -3.937 9.432 -2.928 73 HA PHE 9 HA PHE 9 -4.070 12.038 -1.871 74 HB2 PHE 9 2HB PHE 9 -3.025 10.771 -4.215 75 HB3 PHE 9 3HB PHE 9 -3.926 12.204 -4.701 76 HD1 PHE 9 HD2 PHE 9 -3.280 14.423 -3.823 77 HD2 PHE 9 HD1 PHE 9 -0.949 10.938 -3.088 78 HE1 PHE 9 HE2 PHE 9 -1.368 15.838 -3.195 79 HE2 PHE 9 HE1 PHE 9 0.966 12.348 -2.457 80 HZ PHE 9 HZ PHE 9 0.758 14.802 -2.511 81 H ARG 10 H ARG 10 -6.319 10.146 -3.703 82 HA ARG 10 HA ARG 10 -7.902 12.251 -4.736 83 HB2 ARG 10 2HB ARG 10 -8.005 9.366 -4.627 84 HB3 ARG 10 3HB ARG 10 -9.591 10.052 -4.304 85 HG2 ARG 10 2HG ARG 10 -9.492 9.690 -6.626 86 HG3 ARG 10 3HG ARG 10 -9.287 11.428 -6.396 87 HD2 ARG 10 2HD ARG 10 -6.718 10.244 -6.299 88 HD3 ARG 10 3HD ARG 10 -7.556 9.575 -7.699 89 HE ARG 10 HE ARG 10 -7.954 12.326 -7.731 90 HH11 ARG 10 1HH1 ARG 10 -5.314 10.072 -7.990 91 HH12 ARG 10 2HH1 ARG 10 -4.358 11.107 -8.998 92 HH21 ARG 10 1HH2 ARG 10 -6.706 13.698 -9.058 93 HH22 ARG 10 2HH2 ARG 10 -5.150 13.170 -9.604 94 H SEP 11 H SEP 11 -7.689 10.711 -1.600 95 HA SEP 11 HA SEP 11 -10.302 11.542 -0.676 96 HB2 SEP 11 2HB SEP 11 -9.199 9.663 0.495 97 HB3 SEP 11 3HB SEP 11 -7.767 10.600 0.838 98 H MET 12 H MET 12 -7.132 12.989 -0.719 99 HA MET 12 HA MET 12 -7.741 15.225 0.912 100 HB2 MET 12 2HB MET 12 -5.435 14.356 0.264 101 HB3 MET 12 3HB MET 12 -5.671 15.166 -1.279 102 HG2 MET 12 2HG MET 12 -6.274 17.058 0.703 103 HG3 MET 12 3HG MET 12 -4.800 16.242 1.220 104 HE1 MET 12 3HE MET 12 -5.389 19.058 0.708 105 HE2 MET 12 1HE MET 12 -3.867 19.615 0.011 106 HE3 MET 12 2HE MET 12 -5.347 19.669 -0.946 107 H PHE 13 H PHE 13 -8.330 14.467 -2.415 108 HA PHE 13 HA PHE 13 -8.699 17.124 -3.354 109 HB2 PHE 13 2HB PHE 13 -9.084 14.405 -4.389 110 HB3 PHE 13 3HB PHE 13 -10.245 15.573 -5.012 111 HD1 PHE 13 HD2 PHE 13 -6.605 15.733 -4.199 112 HD2 PHE 13 HD1 PHE 13 -9.660 16.263 -7.115 113 HE1 PHE 13 HE2 PHE 13 -4.925 16.537 -5.808 114 HE2 PHE 13 HE1 PHE 13 -7.985 17.067 -8.729 115 HZ PHE 13 HZ PHE 13 -5.615 17.205 -8.075 116 HA PRO 14 HA PRO 14 -12.775 18.091 -2.040 117 HB2 PRO 14 2HB PRO 14 -13.791 19.401 -4.184 118 HB3 PRO 14 3HB PRO 14 -12.529 20.087 -3.156 119 HG2 PRO 14 2HG PRO 14 -12.293 18.773 -5.825 120 HG3 PRO 14 3HG PRO 14 -11.425 20.181 -5.186 121 HD2 PRO 14 2HD PRO 14 -10.375 17.681 -5.325 122 HD3 PRO 14 3HD PRO 14 -9.855 18.902 -4.147 123 H SER 15 H SER 15 -12.344 16.101 -4.816 124 HA SER 15 HA SER 15 -15.079 15.589 -5.397 125 HB2 SER 15 2HB SER 15 -13.352 13.370 -6.077 126 HB3 SER 15 3HB SER 15 -14.205 14.486 -7.144 127 HG SER 15 HG SER 15 -11.602 14.379 -6.609 128 H SER 16 H SER 16 -12.834 14.354 -3.065 129 HA SER 16 HA SER 16 -14.184 11.921 -2.485 130 HB2 SER 16 2HB SER 16 -12.635 11.636 -0.771 131 HB3 SER 16 3HB SER 16 -11.756 12.688 -1.881 132 HG SER 16 HG SER 16 -12.470 14.463 -0.575 133 H GLU 17 H GLU 17 -14.534 15.220 -1.405 134 HA GLU 17 HA GLU 17 -16.350 14.483 0.740 135 HB2 GLU 17 2HB GLU 17 -14.889 16.894 -0.075 136 HB3 GLU 17 3HB GLU 17 -16.516 17.213 0.511 137 HG2 GLU 17 2HG GLU 17 -14.716 15.439 2.088 138 HG3 GLU 17 3HG GLU 17 -14.494 17.186 2.153 Start of MODEL 7 1 H1 ARG 1 H ARG 1 1.299 0.806 0.476 2 HA ARG 1 HA ARG 1 3.754 -0.043 -0.505 3 HB2 ARG 1 2HB ARG 1 1.636 -0.299 -2.636 4 HB3 ARG 1 3HB ARG 1 3.339 -0.721 -2.749 5 HG2 ARG 1 2HG ARG 1 2.882 -2.465 -0.970 6 HG3 ARG 1 3HG ARG 1 1.168 -2.150 -1.249 7 HD2 ARG 1 2HD ARG 1 1.592 -2.628 -3.684 8 HD3 ARG 1 3HD ARG 1 3.200 -3.179 -3.219 9 HE ARG 1 HE ARG 1 0.723 -4.581 -2.867 10 HH11 ARG 1 1HH1 ARG 1 3.967 -4.184 -1.667 11 HH12 ARG 1 2HH1 ARG 1 4.043 -5.768 -0.971 12 HH21 ARG 1 1HH2 ARG 1 0.811 -6.669 -1.954 13 HH22 ARG 1 2HH2 ARG 1 2.247 -7.182 -1.136 14 H SER 2 H SER 2 4.184 1.227 -2.764 15 HA SER 2 HA SER 2 3.740 3.988 -2.076 16 HB2 SER 2 2HB SER 2 5.333 4.511 -3.748 17 HB3 SER 2 3HB SER 2 5.894 2.994 -3.044 18 HG SER 2 HG SER 2 5.263 1.915 -4.824 19 H LYS 3 H LYS 3 2.485 1.694 -4.377 20 HA LYS 3 HA LYS 3 1.188 3.668 -6.021 21 HB2 LYS 3 2HB LYS 3 1.978 1.276 -6.669 22 HB3 LYS 3 3HB LYS 3 0.450 0.758 -5.971 23 HG2 LYS 3 2HG LYS 3 -0.737 1.492 -7.718 24 HG3 LYS 3 3HG LYS 3 0.209 2.975 -7.865 25 HD2 LYS 3 2HD LYS 3 1.221 0.275 -8.738 26 HD3 LYS 3 3HD LYS 3 0.365 1.383 -9.814 27 HE2 LYS 3 2HE LYS 3 2.121 3.112 -9.129 28 HE3 LYS 3 3HE LYS 3 3.029 1.750 -8.474 29 HZ1 LYS 3 3HZ LYS 3 3.873 1.754 -10.553 30 HZ2 LYS 3 1HZ LYS 3 2.507 2.473 -11.246 31 HZ3 LYS 3 2HZ LYS 3 2.502 0.820 -10.887 32 H ASP 4 H ASP 4 0.405 1.827 -3.191 33 HA ASP 4 HA ASP 4 -2.430 2.090 -3.375 34 HB2 ASP 4 2HB ASP 4 -0.548 0.843 -1.615 35 HB3 ASP 4 3HB ASP 4 -1.658 1.819 -0.657 36 H LEU 5 H LEU 5 0.151 4.067 -2.125 37 HA LEU 5 HA LEU 5 -1.524 5.792 -0.572 38 HB2 LEU 5 2HB LEU 5 1.072 5.332 -0.491 39 HB3 LEU 5 3HB LEU 5 1.116 6.682 -1.623 40 HG LEU 5 HG LEU 5 -0.406 7.746 0.338 41 HD11 LEU 5 1HD1 LEU 5 0.981 7.127 2.442 42 HD12 LEU 5 2HD1 LEU 5 1.296 5.625 1.575 43 HD13 LEU 5 3HD1 LEU 5 -0.362 6.095 1.950 44 HD21 LEU 5 3HD2 LEU 5 1.265 9.162 -0.099 45 HD22 LEU 5 1HD2 LEU 5 2.386 7.857 -0.485 46 HD23 LEU 5 2HD2 LEU 5 2.138 8.338 1.194 47 H ARG 6 H ARG 6 -0.491 5.653 -3.885 48 HA ARG 6 HA ARG 6 -0.846 8.295 -4.680 49 HB2 ARG 6 2HB ARG 6 -1.273 5.703 -6.163 50 HB3 ARG 6 3HB ARG 6 -1.407 7.275 -6.939 51 HG2 ARG 6 2HG ARG 6 1.003 7.541 -5.785 52 HG3 ARG 6 3HG ARG 6 0.978 5.796 -6.049 53 HD2 ARG 6 2HD ARG 6 0.397 6.210 -8.421 54 HD3 ARG 6 3HD ARG 6 0.555 7.941 -8.126 55 HE ARG 6 HE ARG 6 2.889 6.415 -7.417 56 HH11 ARG 6 1HH1 ARG 6 1.220 8.097 -9.968 57 HH12 ARG 6 2HH1 ARG 6 2.656 8.383 -10.895 58 HH21 ARG 6 1HH2 ARG 6 4.785 6.786 -8.628 59 HH22 ARG 6 2HH2 ARG 6 4.683 7.636 -10.133 60 H HIS 7 H HIS 7 -3.195 5.789 -4.030 61 HA HIS 7 HA HIS 7 -5.408 7.177 -5.208 62 HB2 HIS 7 2HB HIS 7 -5.015 4.599 -4.495 63 HB3 HIS 7 3HB HIS 7 -5.932 5.163 -3.101 64 HD1 HIS 7 HD1 HIS 7 -6.247 5.182 -6.893 65 HD2 HIS 7 HD2 HIS 7 -8.611 5.088 -3.478 66 HE1 HIS 7 HE1 HIS 7 -8.609 4.917 -7.717 67 H ALA 8 H ALA 8 -3.730 7.378 -2.238 68 HA ALA 8 HA ALA 8 -5.889 8.400 -0.656 69 HB1 ALA 8 1HB ALA 8 -3.551 7.319 0.013 70 HB2 ALA 8 2HB ALA 8 -3.089 9.020 0.083 71 HB3 ALA 8 3HB ALA 8 -4.421 8.426 1.075 72 H PHE 9 H PHE 9 -3.662 9.729 -2.926 73 HA PHE 9 HA PHE 9 -3.587 12.398 -2.049 74 HB2 PHE 9 2HB PHE 9 -2.140 11.298 -3.835 75 HB3 PHE 9 3HB PHE 9 -3.492 11.533 -4.938 76 HD1 PHE 9 HD2 PHE 9 -4.174 13.784 -5.606 77 HD2 PHE 9 HD1 PHE 9 -0.779 13.129 -3.124 78 HE1 PHE 9 HE2 PHE 9 -3.396 16.070 -6.073 79 HE2 PHE 9 HE1 PHE 9 0.005 15.415 -3.587 80 HZ PHE 9 HZ PHE 9 -1.303 16.889 -5.064 81 H ARG 10 H ARG 10 -6.006 10.573 -3.738 82 HA ARG 10 HA ARG 10 -7.463 12.824 -4.737 83 HB2 ARG 10 2HB ARG 10 -7.492 10.144 -5.268 84 HB3 ARG 10 3HB ARG 10 -8.951 10.324 -4.305 85 HG2 ARG 10 2HG ARG 10 -9.554 12.234 -5.881 86 HG3 ARG 10 3HG ARG 10 -8.270 11.616 -6.922 87 HD2 ARG 10 2HD ARG 10 -9.923 10.359 -7.790 88 HD3 ARG 10 3HD ARG 10 -9.613 9.335 -6.389 89 HE ARG 10 HE ARG 10 -11.447 11.101 -5.473 90 HH11 ARG 10 1HH1 ARG 10 -11.313 9.009 -8.253 91 HH12 ARG 10 2HH1 ARG 10 -13.029 8.784 -8.328 92 HH21 ARG 10 1HH2 ARG 10 -13.707 10.812 -5.563 93 HH22 ARG 10 2HH2 ARG 10 -14.390 9.811 -6.798 94 H SEP 11 H SEP 11 -7.358 11.031 -1.733 95 HA SEP 11 HA SEP 11 -9.955 11.725 -0.759 96 HB2 SEP 11 2HB SEP 11 -8.654 9.924 0.361 97 HB3 SEP 11 3HB SEP 11 -7.344 11.008 0.755 98 H MET 12 H MET 12 -6.914 13.428 -0.802 99 HA MET 12 HA MET 12 -7.754 15.601 0.839 100 HB2 MET 12 2HB MET 12 -5.453 15.143 -1.033 101 HB3 MET 12 3HB MET 12 -5.743 16.740 -0.355 102 HG2 MET 12 2HG MET 12 -5.855 15.223 1.877 103 HG3 MET 12 3HG MET 12 -4.701 14.306 0.910 104 HE1 MET 12 3HE MET 12 -5.563 16.927 3.086 105 HE2 MET 12 1HE MET 12 -4.014 16.630 3.876 106 HE3 MET 12 2HE MET 12 -4.314 18.174 3.077 107 H PHE 13 H PHE 13 -8.104 14.807 -2.513 108 HA PHE 13 HA PHE 13 -8.604 17.432 -3.480 109 HB2 PHE 13 2HB PHE 13 -8.621 14.728 -4.536 110 HB3 PHE 13 3HB PHE 13 -9.973 15.670 -5.157 111 HD1 PHE 13 HD2 PHE 13 -6.500 16.696 -4.297 112 HD2 PHE 13 HD1 PHE 13 -9.444 16.221 -7.334 113 HE1 PHE 13 HE2 PHE 13 -4.997 17.776 -5.917 114 HE2 PHE 13 HE1 PHE 13 -7.945 17.300 -8.960 115 HZ PHE 13 HZ PHE 13 -5.719 18.080 -8.252 116 HA PRO 14 HA PRO 14 -12.804 18.111 -2.395 117 HB2 PRO 14 2HB PRO 14 -13.785 19.353 -4.596 118 HB3 PRO 14 3HB PRO 14 -12.636 20.123 -3.495 119 HG2 PRO 14 2HG PRO 14 -12.153 18.838 -6.147 120 HG3 PRO 14 3HG PRO 14 -11.425 20.301 -5.457 121 HD2 PRO 14 2HD PRO 14 -10.204 17.872 -5.543 122 HD3 PRO 14 3HD PRO 14 -9.834 19.126 -4.342 123 H SER 15 H SER 15 -12.083 16.166 -5.144 124 HA SER 15 HA SER 15 -14.741 15.469 -5.874 125 HB2 SER 15 2HB SER 15 -12.054 14.203 -6.398 126 HB3 SER 15 3HB SER 15 -13.554 13.480 -6.977 127 HG SER 15 HG SER 15 -12.158 15.513 -8.021 128 H SER 16 H SER 16 -12.545 14.380 -3.425 129 HA SER 16 HA SER 16 -13.873 11.888 -2.916 130 HB2 SER 16 2HB SER 16 -11.719 11.721 -2.154 131 HB3 SER 16 3HB SER 16 -11.636 13.421 -1.695 132 HG SER 16 HG SER 16 -12.654 12.977 0.186 133 H GLU 17 H GLU 17 -14.089 15.164 -1.702 134 HA GLU 17 HA GLU 17 -15.862 14.419 0.464 135 HB2 GLU 17 2HB GLU 17 -14.186 16.297 0.612 136 HB3 GLU 17 3HB GLU 17 -15.191 17.194 -0.517 137 HG2 GLU 17 2HG GLU 17 -15.784 17.986 1.600 138 HG3 GLU 17 3HG GLU 17 -17.082 16.886 1.141 Start of MODEL 8 1 H1 ARG 1 H ARG 1 3.631 -0.764 0.865 2 HA ARG 1 HA ARG 1 3.902 -0.306 -1.757 3 HB2 ARG 1 2HB ARG 1 2.072 -1.629 -0.578 4 HB3 ARG 1 3HB ARG 1 1.178 -0.118 -0.479 5 HG2 ARG 1 2HG ARG 1 0.610 -0.160 -2.649 6 HG3 ARG 1 3HG ARG 1 2.176 -0.796 -3.155 7 HD2 ARG 1 2HD ARG 1 0.570 -2.679 -1.594 8 HD3 ARG 1 3HD ARG 1 -0.172 -2.200 -3.120 9 HE ARG 1 HE ARG 1 2.174 -3.829 -2.763 10 HH11 ARG 1 1HH1 ARG 1 0.430 -1.739 -4.934 11 HH12 ARG 1 2HH1 ARG 1 1.140 -2.414 -6.363 12 HH21 ARG 1 1HH2 ARG 1 3.116 -4.725 -4.637 13 HH22 ARG 1 2HH2 ARG 1 2.668 -4.113 -6.193 14 H SER 2 H SER 2 4.444 1.546 -2.721 15 HA SER 2 HA SER 2 3.487 4.096 -1.831 16 HB2 SER 2 2HB SER 2 5.337 3.112 -3.941 17 HB3 SER 2 3HB SER 2 4.605 4.695 -4.196 18 HG SER 2 HG SER 2 5.946 5.456 -2.786 19 H LYS 3 H LYS 3 2.524 1.770 -4.214 20 HA LYS 3 HA LYS 3 0.956 3.513 -5.827 21 HB2 LYS 3 2HB LYS 3 1.720 0.798 -5.875 22 HB3 LYS 3 3HB LYS 3 -0.038 0.811 -5.849 23 HG2 LYS 3 2HG LYS 3 0.325 0.895 -8.093 24 HG3 LYS 3 3HG LYS 3 0.280 2.622 -7.732 25 HD2 LYS 3 2HD LYS 3 2.466 2.903 -8.201 26 HD3 LYS 3 3HD LYS 3 2.925 1.367 -7.462 27 HE2 LYS 3 2HE LYS 3 1.560 1.611 -10.138 28 HE3 LYS 3 3HE LYS 3 3.307 1.499 -9.932 29 HZ1 LYS 3 3HZ LYS 3 1.986 -0.565 -8.501 30 HZ2 LYS 3 1HZ LYS 3 3.161 -0.688 -9.711 31 HZ3 LYS 3 2HZ LYS 3 1.525 -0.590 -10.128 32 H ASP 4 H ASP 4 0.394 1.766 -2.870 33 HA ASP 4 HA ASP 4 -2.455 1.930 -2.931 34 HB2 ASP 4 2HB ASP 4 -0.431 0.850 -1.182 35 HB3 ASP 4 3HB ASP 4 -1.628 1.743 -0.248 36 H LEU 5 H LEU 5 0.122 3.991 -1.777 37 HA LEU 5 HA LEU 5 -1.569 5.721 -0.247 38 HB2 LEU 5 2HB LEU 5 0.775 5.522 0.294 39 HB3 LEU 5 3HB LEU 5 1.226 6.079 -1.317 40 HG LEU 5 HG LEU 5 -0.422 7.950 0.253 41 HD11 LEU 5 1HD1 LEU 5 2.000 8.605 1.250 42 HD12 LEU 5 2HD1 LEU 5 2.099 6.845 1.286 43 HD13 LEU 5 3HD1 LEU 5 0.788 7.671 2.127 44 HD21 LEU 5 3HD2 LEU 5 2.188 8.392 -1.172 45 HD22 LEU 5 1HD2 LEU 5 0.930 9.570 -0.797 46 HD23 LEU 5 2HD2 LEU 5 0.640 8.330 -2.017 47 H ARG 6 H ARG 6 -0.559 5.529 -3.564 48 HA ARG 6 HA ARG 6 -0.962 8.147 -4.411 49 HB2 ARG 6 2HB ARG 6 -1.358 5.519 -5.837 50 HB3 ARG 6 3HB ARG 6 -1.522 7.072 -6.645 51 HG2 ARG 6 2HG ARG 6 0.971 6.617 -5.124 52 HG3 ARG 6 3HG ARG 6 0.751 5.687 -6.607 53 HD2 ARG 6 2HD ARG 6 0.058 8.509 -6.885 54 HD3 ARG 6 3HD ARG 6 1.744 8.241 -6.445 55 HE ARG 6 HE ARG 6 0.925 6.549 -8.586 56 HH11 ARG 6 1HH1 ARG 6 1.933 9.790 -7.810 57 HH12 ARG 6 2HH1 ARG 6 2.561 10.113 -9.392 58 HH21 ARG 6 1HH2 ARG 6 1.749 6.963 -10.673 59 HH22 ARG 6 2HH2 ARG 6 2.455 8.505 -11.020 60 H HIS 7 H HIS 7 -3.265 5.619 -3.691 61 HA HIS 7 HA HIS 7 -5.509 6.946 -4.881 62 HB2 HIS 7 2HB HIS 7 -5.129 4.402 -4.238 63 HB3 HIS 7 3HB HIS 7 -5.862 4.916 -2.721 64 HD1 HIS 7 HD1 HIS 7 -6.635 4.362 -6.333 65 HD2 HIS 7 HD2 HIS 7 -8.589 5.542 -2.862 66 HE1 HIS 7 HE1 HIS 7 -9.087 4.291 -6.885 67 H ALA 8 H ALA 8 -3.812 7.237 -1.929 68 HA ALA 8 HA ALA 8 -5.976 8.258 -0.352 69 HB1 ALA 8 1HB ALA 8 -3.119 8.848 0.277 70 HB2 ALA 8 2HB ALA 8 -4.456 8.470 1.363 71 HB3 ALA 8 3HB ALA 8 -3.714 7.192 0.401 72 H PHE 9 H PHE 9 -3.786 9.574 -2.666 73 HA PHE 9 HA PHE 9 -3.792 12.270 -1.832 74 HB2 PHE 9 2HB PHE 9 -2.613 10.802 -3.888 75 HB3 PHE 9 3HB PHE 9 -3.648 11.958 -4.717 76 HD1 PHE 9 HD2 PHE 9 -3.503 14.336 -3.110 77 HD2 PHE 9 HD1 PHE 9 -0.441 11.532 -4.046 78 HE1 PHE 9 HE2 PHE 9 -1.806 16.087 -2.787 79 HE2 PHE 9 HE1 PHE 9 1.262 13.278 -3.722 80 HZ PHE 9 HZ PHE 9 0.580 15.560 -3.093 81 H ARG 10 H ARG 10 -6.101 10.328 -3.536 82 HA ARG 10 HA ARG 10 -7.578 12.460 -4.711 83 HB2 ARG 10 2HB ARG 10 -7.585 9.732 -4.968 84 HB3 ARG 10 3HB ARG 10 -9.072 10.013 -4.072 85 HG2 ARG 10 2HG ARG 10 -9.882 11.496 -5.788 86 HG3 ARG 10 3HG ARG 10 -8.352 11.374 -6.659 87 HD2 ARG 10 2HD ARG 10 -8.770 9.218 -7.362 88 HD3 ARG 10 3HD ARG 10 -9.886 8.892 -6.037 89 HE ARG 10 HE ARG 10 -11.025 10.874 -7.623 90 HH11 ARG 10 1HH1 ARG 10 -10.102 7.528 -7.883 91 HH12 ARG 10 2HH1 ARG 10 -11.321 7.147 -9.054 92 HH21 ARG 10 1HH2 ARG 10 -12.634 10.385 -9.165 93 HH22 ARG 10 2HH2 ARG 10 -12.760 8.773 -9.783 94 H SEP 11 H SEP 11 -7.507 10.957 -1.551 95 HA SEP 11 HA SEP 11 -10.130 11.800 -0.712 96 HB2 SEP 11 2HB SEP 11 -8.600 9.985 0.424 97 HB3 SEP 11 3HB SEP 11 -7.720 11.291 1.175 98 H MET 12 H MET 12 -6.992 13.315 -0.741 99 HA MET 12 HA MET 12 -7.709 15.606 0.777 100 HB2 MET 12 2HB MET 12 -5.386 14.626 -0.619 101 HB3 MET 12 3HB MET 12 -5.640 16.326 -0.990 102 HG2 MET 12 2HG MET 12 -4.281 16.415 0.864 103 HG3 MET 12 3HG MET 12 -5.889 16.609 1.560 104 HE1 MET 12 3HE MET 12 -2.871 15.517 2.734 105 HE2 MET 12 1HE MET 12 -4.187 16.017 3.796 106 HE3 MET 12 2HE MET 12 -3.459 14.422 3.986 107 H PHE 13 H PHE 13 -8.132 14.688 -2.534 108 HA PHE 13 HA PHE 13 -8.500 17.292 -3.611 109 HB2 PHE 13 2HB PHE 13 -8.780 14.525 -4.537 110 HB3 PHE 13 3HB PHE 13 -9.948 15.628 -5.256 111 HD1 PHE 13 HD2 PHE 13 -6.381 16.082 -4.277 112 HD2 PHE 13 HD1 PHE 13 -9.269 16.090 -7.404 113 HE1 PHE 13 HE2 PHE 13 -4.663 16.862 -5.857 114 HE2 PHE 13 HE1 PHE 13 -7.556 16.869 -8.989 115 HZ PHE 13 HZ PHE 13 -5.250 17.257 -8.216 116 HA PRO 14 HA PRO 14 -12.647 18.244 -2.528 117 HB2 PRO 14 2HB PRO 14 -13.585 19.436 -4.774 118 HB3 PRO 14 3HB PRO 14 -12.382 20.191 -3.722 119 HG2 PRO 14 2HG PRO 14 -12.002 18.757 -6.313 120 HG3 PRO 14 3HG PRO 14 -11.192 20.213 -5.707 121 HD2 PRO 14 2HD PRO 14 -10.093 17.728 -5.680 122 HD3 PRO 14 3HD PRO 14 -9.647 19.011 -4.537 123 H SER 15 H SER 15 -12.057 16.136 -5.185 124 HA SER 15 HA SER 15 -14.754 15.550 -5.866 125 HB2 SER 15 2HB SER 15 -12.169 14.052 -6.318 126 HB3 SER 15 3HB SER 15 -13.725 13.488 -6.927 127 HG SER 15 HG SER 15 -12.850 16.107 -7.468 128 H SER 16 H SER 16 -12.600 14.462 -3.379 129 HA SER 16 HA SER 16 -13.977 12.046 -2.747 130 HB2 SER 16 2HB SER 16 -12.345 11.736 -1.194 131 HB3 SER 16 3HB SER 16 -11.551 13.048 -2.064 132 HG SER 16 HG SER 16 -12.282 14.487 -0.533 133 H GLU 17 H GLU 17 -14.283 15.390 -1.776 134 HA GLU 17 HA GLU 17 -16.114 14.790 0.381 135 HB2 GLU 17 2HB GLU 17 -14.530 17.019 -0.407 136 HB3 GLU 17 3HB GLU 17 -16.207 17.545 -0.360 137 HG2 GLU 17 2HG GLU 17 -16.427 16.877 1.921 138 HG3 GLU 17 3HG GLU 17 -14.841 16.108 1.900 Start of MODEL 9 1 H1 ARG 1 H ARG 1 2.087 1.811 1.405 2 HA ARG 1 HA ARG 1 3.903 0.478 -0.299 3 HB2 ARG 1 2HB ARG 1 1.221 -0.386 -0.552 4 HB3 ARG 1 3HB ARG 1 1.563 0.617 -1.955 5 HG2 ARG 1 2HG ARG 1 3.694 -1.276 -1.347 6 HG3 ARG 1 3HG ARG 1 2.146 -2.044 -1.708 7 HD2 ARG 1 2HD ARG 1 2.007 -0.721 -3.784 8 HD3 ARG 1 3HD ARG 1 3.589 -0.030 -3.427 9 HE ARG 1 HE ARG 1 4.557 -1.958 -4.182 10 HH11 ARG 1 1HH1 ARG 1 1.187 -2.557 -3.545 11 HH12 ARG 1 2HH1 ARG 1 1.207 -4.150 -4.226 12 HH21 ARG 1 1HH2 ARG 1 4.596 -4.054 -5.081 13 HH22 ARG 1 2HH2 ARG 1 3.147 -5.001 -5.098 14 H SER 2 H SER 2 4.143 1.625 -2.413 15 HA SER 2 HA SER 2 3.858 4.476 -1.964 16 HB2 SER 2 2HB SER 2 5.867 3.011 -3.047 17 HB3 SER 2 3HB SER 2 5.028 3.527 -4.510 18 HG SER 2 HG SER 2 5.122 5.704 -3.412 19 H LYS 3 H LYS 3 2.500 1.982 -3.976 20 HA LYS 3 HA LYS 3 1.177 3.868 -5.737 21 HB2 LYS 3 2HB LYS 3 1.491 0.918 -5.606 22 HB3 LYS 3 3HB LYS 3 0.035 1.526 -6.382 23 HG2 LYS 3 2HG LYS 3 1.655 3.018 -7.730 24 HG3 LYS 3 3HG LYS 3 2.890 1.879 -7.191 25 HD2 LYS 3 2HD LYS 3 1.779 0.053 -8.243 26 HD3 LYS 3 3HD LYS 3 0.346 1.032 -8.564 27 HE2 LYS 3 2HE LYS 3 1.438 2.279 -10.225 28 HE3 LYS 3 3HE LYS 3 3.034 1.748 -9.695 29 HZ1 LYS 3 3HZ LYS 3 2.921 -0.018 -11.013 30 HZ2 LYS 3 1HZ LYS 3 1.536 0.656 -11.713 31 HZ3 LYS 3 2HZ LYS 3 1.388 -0.453 -10.445 32 H ASP 4 H ASP 4 0.478 2.024 -2.882 33 HA ASP 4 HA ASP 4 -2.366 2.180 -3.064 34 HB2 ASP 4 2HB ASP 4 -0.428 1.029 -1.283 35 HB3 ASP 4 3HB ASP 4 -1.616 1.935 -0.349 36 H LEU 5 H LEU 5 0.142 4.255 -1.830 37 HA LEU 5 HA LEU 5 -1.588 5.919 -0.271 38 HB2 LEU 5 2HB LEU 5 1.237 5.761 -0.905 39 HB3 LEU 5 3HB LEU 5 0.653 7.424 -0.910 40 HG LEU 5 HG LEU 5 0.253 5.539 1.405 41 HD11 LEU 5 1HD1 LEU 5 2.195 7.651 1.799 42 HD12 LEU 5 2HD1 LEU 5 2.691 6.520 0.540 43 HD13 LEU 5 3HD1 LEU 5 2.309 5.927 2.157 44 HD21 LEU 5 3HD2 LEU 5 -0.560 7.336 2.569 45 HD22 LEU 5 1HD2 LEU 5 -1.137 7.722 0.947 46 HD23 LEU 5 2HD2 LEU 5 0.308 8.512 1.580 47 H ARG 6 H ARG 6 -0.570 5.811 -3.590 48 HA ARG 6 HA ARG 6 -1.030 8.435 -4.389 49 HB2 ARG 6 2HB ARG 6 -0.021 6.609 -5.781 50 HB3 ARG 6 3HB ARG 6 -1.639 5.963 -6.015 51 HG2 ARG 6 2HG ARG 6 -2.229 8.273 -6.940 52 HG3 ARG 6 3HG ARG 6 -0.486 8.536 -7.025 53 HD2 ARG 6 2HD ARG 6 -1.246 7.739 -9.157 54 HD3 ARG 6 3HD ARG 6 -0.296 6.469 -8.386 55 HE ARG 6 HE ARG 6 -3.090 6.204 -7.860 56 HH11 ARG 6 1HH1 ARG 6 -0.599 5.592 -10.214 57 HH12 ARG 6 2HH1 ARG 6 -1.440 4.269 -10.952 58 HH21 ARG 6 1HH2 ARG 6 -4.206 4.463 -8.823 59 HH22 ARG 6 2HH2 ARG 6 -3.492 3.628 -10.160 60 H HIS 7 H HIS 7 -3.278 5.843 -3.719 61 HA HIS 7 HA HIS 7 -5.549 7.142 -4.888 62 HB2 HIS 7 2HB HIS 7 -4.967 4.595 -3.715 63 HB3 HIS 7 3HB HIS 7 -6.393 5.268 -2.930 64 HD1 HIS 7 HD1 HIS 7 -8.480 5.705 -4.452 65 HD2 HIS 7 HD2 HIS 7 -5.331 3.750 -6.328 66 HE1 HIS 7 HE1 HIS 7 -9.442 4.767 -6.578 67 H ALA 8 H ALA 8 -3.863 7.415 -1.928 68 HA ALA 8 HA ALA 8 -6.051 8.358 -0.335 69 HB1 ALA 8 1HB ALA 8 -4.351 8.936 1.307 70 HB2 ALA 8 2HB ALA 8 -4.080 7.311 0.675 71 HB3 ALA 8 3HB ALA 8 -3.083 8.653 0.114 72 H PHE 9 H PHE 9 -3.888 9.765 -2.622 73 HA PHE 9 HA PHE 9 -3.926 12.440 -1.746 74 HB2 PHE 9 2HB PHE 9 -2.760 11.041 -3.841 75 HB3 PHE 9 3HB PHE 9 -3.859 12.155 -4.646 76 HD1 PHE 9 HD1 PHE 9 -0.904 11.869 -2.499 77 HD2 PHE 9 HD2 PHE 9 -3.485 14.524 -4.599 78 HE1 PHE 9 HE1 PHE 9 0.736 13.681 -2.217 79 HE2 PHE 9 HE2 PHE 9 -1.848 16.340 -4.321 80 HZ PHE 9 HZ PHE 9 0.266 15.920 -3.130 81 H ARG 10 H ARG 10 -6.256 10.503 -3.427 82 HA ARG 10 HA ARG 10 -7.795 12.670 -4.479 83 HB2 ARG 10 2HB ARG 10 -7.880 9.782 -4.526 84 HB3 ARG 10 3HB ARG 10 -9.477 10.441 -4.198 85 HG2 ARG 10 2HG ARG 10 -9.405 11.755 -6.211 86 HG3 ARG 10 3HG ARG 10 -7.738 11.260 -6.514 87 HD2 ARG 10 2HD ARG 10 -9.568 9.017 -6.145 88 HD3 ARG 10 3HD ARG 10 -9.986 10.042 -7.518 89 HE ARG 10 HE ARG 10 -7.688 8.323 -7.267 90 HH11 ARG 10 1HH1 ARG 10 -9.063 11.080 -8.887 91 HH12 ARG 10 2HH1 ARG 10 -8.042 10.935 -10.280 92 HH21 ARG 10 1HH2 ARG 10 -6.338 8.121 -9.094 93 HH22 ARG 10 2HH2 ARG 10 -6.493 9.251 -10.397 94 H SEP 11 H SEP 11 -7.624 10.980 -1.422 95 HA SEP 11 HA SEP 11 -10.258 11.674 -0.491 96 HB2 SEP 11 2HB SEP 11 -9.383 9.966 0.884 97 HB3 SEP 11 3HB SEP 11 -7.737 10.532 0.757 98 H MET 12 H MET 12 -7.169 13.301 -0.447 99 HA MET 12 HA MET 12 -7.991 15.486 1.182 100 HB2 MET 12 2HB MET 12 -5.636 14.817 -0.489 101 HB3 MET 12 3HB MET 12 -5.926 16.526 -0.197 102 HG2 MET 12 2HG MET 12 -5.087 16.379 1.841 103 HG3 MET 12 3HG MET 12 -6.187 15.065 2.250 104 HE1 MET 12 3HE MET 12 -2.905 15.595 -0.040 105 HE2 MET 12 1HE MET 12 -2.701 16.203 1.603 106 HE3 MET 12 2HE MET 12 -1.794 14.788 1.068 107 H PHE 13 H PHE 13 -8.297 14.723 -2.182 108 HA PHE 13 HA PHE 13 -8.732 17.375 -3.124 109 HB2 PHE 13 2HB PHE 13 -8.875 14.652 -4.219 110 HB3 PHE 13 3HB PHE 13 -10.029 15.774 -4.932 111 HD1 PHE 13 HD2 PHE 13 -6.512 16.175 -3.759 112 HD2 PHE 13 HD1 PHE 13 -9.269 16.445 -6.989 113 HE1 PHE 13 HE2 PHE 13 -4.734 17.084 -5.195 114 HE2 PHE 13 HE1 PHE 13 -7.495 17.355 -8.432 115 HZ PHE 13 HZ PHE 13 -5.224 17.676 -7.535 116 HA PRO 14 HA PRO 14 -12.957 18.066 -2.150 117 HB2 PRO 14 2HB PRO 14 -13.861 19.359 -4.358 118 HB3 PRO 14 3HB PRO 14 -12.745 20.098 -3.203 119 HG2 PRO 14 2HG PRO 14 -12.187 18.888 -5.870 120 HG3 PRO 14 3HG PRO 14 -11.450 20.306 -5.101 121 HD2 PRO 14 2HD PRO 14 -10.267 17.862 -5.224 122 HD3 PRO 14 3HD PRO 14 -9.923 19.093 -3.992 123 H SER 15 H SER 15 -12.172 16.175 -4.921 124 HA SER 15 HA SER 15 -14.813 15.514 -5.739 125 HB2 SER 15 2HB SER 15 -12.179 14.089 -6.178 126 HB3 SER 15 3HB SER 15 -13.695 13.638 -6.959 127 HG SER 15 HG SER 15 -12.056 15.855 -7.383 128 H SER 16 H SER 16 -12.693 14.355 -3.256 129 HA SER 16 HA SER 16 -13.947 11.834 -2.842 130 HB2 SER 16 2HB SER 16 -11.724 12.089 -2.016 131 HB3 SER 16 3HB SER 16 -12.155 13.539 -1.109 132 HG SER 16 HG SER 16 -12.182 11.045 -0.263 133 H GLU 17 H GLU 17 -14.501 15.077 -1.648 134 HA GLU 17 HA GLU 17 -16.482 14.161 0.276 135 HB2 GLU 17 2HB GLU 17 -16.655 16.498 0.933 136 HB3 GLU 17 3HB GLU 17 -14.968 16.003 0.884 137 HG2 GLU 17 2HG GLU 17 -14.632 17.132 -1.199 138 HG3 GLU 17 3HG GLU 17 -16.352 17.492 -1.332 Start of MODEL 10 1 H1 ARG 1 H ARG 1 5.519 0.063 -2.519 2 HA ARG 1 HA ARG 1 3.358 -0.264 -3.555 3 HB2 ARG 1 2HB ARG 1 2.605 -0.234 -0.686 4 HB3 ARG 1 3HB ARG 1 1.439 0.448 -1.811 5 HG2 ARG 1 2HG ARG 1 1.282 -1.607 -3.010 6 HG3 ARG 1 3HG ARG 1 2.629 -2.298 -2.103 7 HD2 ARG 1 2HD ARG 1 0.420 -1.313 -0.446 8 HD3 ARG 1 3HD ARG 1 -0.006 -2.654 -1.508 9 HE ARG 1 HE ARG 1 2.342 -3.404 -0.305 10 HH11 ARG 1 1HH1 ARG 1 -0.833 -2.466 0.771 11 HH12 ARG 1 2HH1 ARG 1 -0.775 -3.434 2.207 12 HH21 ARG 1 1HH2 ARG 1 2.430 -4.683 1.581 13 HH22 ARG 1 2HH2 ARG 1 1.082 -4.694 2.667 14 H SER 2 H SER 2 4.487 1.626 -4.441 15 HA SER 2 HA SER 2 3.870 4.213 -3.306 16 HB2 SER 2 2HB SER 2 4.907 4.559 -5.901 17 HB3 SER 2 3HB SER 2 5.776 4.712 -4.374 18 HG SER 2 HG SER 2 6.874 3.173 -5.441 19 H LYS 3 H LYS 3 2.696 2.142 -5.851 20 HA LYS 3 HA LYS 3 1.157 4.136 -7.198 21 HB2 LYS 3 2HB LYS 3 0.102 2.219 -8.346 22 HB3 LYS 3 3HB LYS 3 1.859 2.136 -8.378 23 HG2 LYS 3 2HG LYS 3 1.894 0.442 -6.717 24 HG3 LYS 3 3HG LYS 3 0.176 0.656 -6.373 25 HD2 LYS 3 2HD LYS 3 -0.480 -0.428 -8.297 26 HD3 LYS 3 3HD LYS 3 1.028 -0.069 -9.140 27 HE2 LYS 3 2HE LYS 3 2.143 -1.626 -7.459 28 HE3 LYS 3 3HE LYS 3 0.514 -2.143 -7.025 29 HZ1 LYS 3 3HZ LYS 3 1.762 -3.476 -8.784 30 HZ2 LYS 3 1HZ LYS 3 1.436 -2.187 -9.831 31 HZ3 LYS 3 2HZ LYS 3 0.161 -3.045 -9.123 32 H ASP 4 H ASP 4 0.629 2.025 -4.486 33 HA ASP 4 HA ASP 4 -2.211 2.203 -4.445 34 HB2 ASP 4 2HB ASP 4 -0.187 0.875 -2.949 35 HB3 ASP 4 3HB ASP 4 -1.186 1.779 -1.813 36 H LEU 5 H LEU 5 0.383 4.167 -3.179 37 HA LEU 5 HA LEU 5 -1.264 5.717 -1.425 38 HB2 LEU 5 2HB LEU 5 1.528 5.563 -2.156 39 HB3 LEU 5 3HB LEU 5 0.983 7.236 -2.063 40 HG LEU 5 HG LEU 5 -0.010 6.169 0.258 41 HD11 LEU 5 1HD1 LEU 5 1.677 4.213 -0.568 42 HD12 LEU 5 2HD1 LEU 5 1.278 4.547 1.117 43 HD13 LEU 5 3HD1 LEU 5 2.755 5.205 0.413 44 HD21 LEU 5 3HD2 LEU 5 2.019 7.306 1.288 45 HD22 LEU 5 1HD2 LEU 5 1.005 8.290 0.233 46 HD23 LEU 5 2HD2 LEU 5 2.533 7.645 -0.365 47 H ARG 6 H ARG 6 -0.381 5.863 -4.780 48 HA ARG 6 HA ARG 6 -0.839 8.546 -5.351 49 HB2 ARG 6 2HB ARG 6 -0.000 6.592 -6.862 50 HB3 ARG 6 3HB ARG 6 -1.704 6.390 -7.247 51 HG2 ARG 6 2HG ARG 6 -1.260 7.839 -8.893 52 HG3 ARG 6 3HG ARG 6 -1.415 9.053 -7.622 53 HD2 ARG 6 2HD ARG 6 1.227 7.747 -8.075 54 HD3 ARG 6 3HD ARG 6 0.689 9.004 -9.189 55 HE ARG 6 HE ARG 6 0.490 9.755 -6.424 56 HH11 ARG 6 1HH1 ARG 6 2.585 9.592 -9.200 57 HH12 ARG 6 2HH1 ARG 6 3.630 10.859 -8.649 58 HH21 ARG 6 1HH2 ARG 6 1.859 11.425 -5.687 59 HH22 ARG 6 2HH2 ARG 6 3.216 11.900 -6.650 60 H HIS 7 H HIS 7 -3.090 5.931 -4.796 61 HA HIS 7 HA HIS 7 -5.390 7.339 -5.765 62 HB2 HIS 7 2HB HIS 7 -4.802 4.701 -4.936 63 HB3 HIS 7 3HB HIS 7 -6.083 5.286 -3.879 64 HD1 HIS 7 HD1 HIS 7 -8.084 6.577 -5.435 65 HD2 HIS 7 HD2 HIS 7 -5.824 3.533 -7.134 66 HE1 HIS 7 HE1 HIS 7 -9.432 5.751 -7.391 67 H ALA 8 H ALA 8 -3.583 7.361 -2.864 68 HA ALA 8 HA ALA 8 -5.694 8.196 -1.115 69 HB1 ALA 8 1HB ALA 8 -4.116 8.249 0.555 70 HB2 ALA 8 2HB ALA 8 -3.388 7.093 -0.562 71 HB3 ALA 8 3HB ALA 8 -2.825 8.764 -0.532 72 H PHE 9 H PHE 9 -3.607 9.759 -3.370 73 HA PHE 9 HA PHE 9 -3.578 12.357 -2.285 74 HB2 PHE 9 2HB PHE 9 -2.614 11.087 -4.614 75 HB3 PHE 9 3HB PHE 9 -3.607 12.434 -5.161 76 HD1 PHE 9 HD2 PHE 9 -3.095 14.741 -4.298 77 HD2 PHE 9 HD1 PHE 9 -0.472 11.436 -3.738 78 HE1 PHE 9 HE2 PHE 9 -1.244 16.293 -3.836 79 HE2 PHE 9 HE1 PHE 9 1.384 12.983 -3.274 80 HZ PHE 9 HZ PHE 9 1.000 15.416 -3.324 81 H ARG 10 H ARG 10 -5.987 10.585 -4.042 82 HA ARG 10 HA ARG 10 -7.542 12.852 -4.832 83 HB2 ARG 10 2HB ARG 10 -7.516 10.177 -5.498 84 HB3 ARG 10 3HB ARG 10 -8.990 10.325 -4.551 85 HG2 ARG 10 2HG ARG 10 -9.860 11.983 -6.026 86 HG3 ARG 10 3HG ARG 10 -8.323 12.101 -6.884 87 HD2 ARG 10 2HD ARG 10 -9.983 10.784 -8.128 88 HD3 ARG 10 3HD ARG 10 -8.567 9.829 -7.691 89 HE ARG 10 HE ARG 10 -9.907 8.499 -6.399 90 HH11 ARG 10 1HH1 ARG 10 -11.608 11.442 -7.152 91 HH12 ARG 10 2HH1 ARG 10 -13.112 10.897 -6.488 92 HH21 ARG 10 1HH2 ARG 10 -11.882 7.769 -5.521 93 HH22 ARG 10 2HH2 ARG 10 -13.266 8.808 -5.560 94 H SEP 11 H SEP 11 -7.292 10.857 -1.968 95 HA SEP 11 HA SEP 11 -9.881 11.421 -0.878 96 HB2 SEP 11 2HB SEP 11 -8.668 9.566 0.136 97 HB3 SEP 11 3HB SEP 11 -7.219 10.505 0.389 98 H MET 12 H MET 12 -6.860 13.160 -0.860 99 HA MET 12 HA MET 12 -7.663 15.177 0.980 100 HB2 MET 12 2HB MET 12 -5.318 14.504 -0.490 101 HB3 MET 12 3HB MET 12 -5.699 16.188 -0.822 102 HG2 MET 12 2HG MET 12 -5.855 16.530 1.662 103 HG3 MET 12 3HG MET 12 -5.193 14.907 1.846 104 HE1 MET 12 3HE MET 12 -2.831 18.586 1.756 105 HE2 MET 12 1HE MET 12 -4.578 18.536 1.520 106 HE3 MET 12 2HE MET 12 -3.861 17.807 2.957 107 H PHE 13 H PHE 13 -8.137 14.665 -2.412 108 HA PHE 13 HA PHE 13 -8.719 17.356 -3.123 109 HB2 PHE 13 2HB PHE 13 -8.801 14.730 -4.409 110 HB3 PHE 13 3HB PHE 13 -10.098 15.797 -4.937 111 HD1 PHE 13 HD2 PHE 13 -6.491 16.279 -4.100 112 HD2 PHE 13 HD1 PHE 13 -9.620 16.793 -6.939 113 HE1 PHE 13 HE2 PHE 13 -4.925 17.424 -5.613 114 HE2 PHE 13 HE1 PHE 13 -8.059 17.938 -8.457 115 HZ PHE 13 HZ PHE 13 -5.709 18.257 -7.795 116 HA PRO 14 HA PRO 14 -12.889 17.840 -1.837 117 HB2 PRO 14 2HB PRO 14 -13.978 19.245 -3.883 118 HB3 PRO 14 3HB PRO 14 -12.802 19.943 -2.763 119 HG2 PRO 14 2HG PRO 14 -12.396 18.896 -5.531 120 HG3 PRO 14 3HG PRO 14 -11.678 20.318 -4.752 121 HD2 PRO 14 2HD PRO 14 -10.401 17.941 -5.081 122 HD3 PRO 14 3HD PRO 14 -10.014 19.091 -3.785 123 H SER 15 H SER 15 -12.227 16.148 -4.759 124 HA SER 15 HA SER 15 -14.893 15.458 -5.463 125 HB2 SER 15 2HB SER 15 -12.601 13.665 -6.149 126 HB3 SER 15 3HB SER 15 -13.961 14.179 -7.148 127 HG SER 15 HG SER 15 -12.328 15.358 -7.925 128 H SER 16 H SER 16 -12.603 14.219 -3.179 129 HA SER 16 HA SER 16 -13.748 11.638 -2.849 130 HB2 SER 16 2HB SER 16 -12.294 11.395 -0.986 131 HB3 SER 16 3HB SER 16 -11.413 12.394 -2.142 132 HG SER 16 HG SER 16 -11.446 13.120 0.126 133 H GLU 17 H GLU 17 -14.451 14.791 -1.556 134 HA GLU 17 HA GLU 17 -16.173 13.762 0.534 135 HB2 GLU 17 2HB GLU 17 -15.436 16.526 -0.400 136 HB3 GLU 17 3HB GLU 17 -16.731 16.267 0.761 137 HG2 GLU 17 2HG GLU 17 -14.795 14.831 1.929 138 HG3 GLU 17 3HG GLU 17 -13.812 16.028 1.087 Start of MODEL 11 1 H1 ARG 1 H ARG 1 4.641 -0.581 -1.532 2 HA ARG 1 HA ARG 1 2.758 -0.240 -2.777 3 HB2 ARG 1 2HB ARG 1 0.722 0.326 -1.403 4 HB3 ARG 1 3HB ARG 1 1.650 -1.055 -0.833 5 HG2 ARG 1 2HG ARG 1 2.442 1.499 0.357 6 HG3 ARG 1 3HG ARG 1 0.789 1.000 0.720 7 HD2 ARG 1 2HD ARG 1 2.090 -1.329 1.106 8 HD3 ARG 1 3HD ARG 1 3.359 -0.187 1.545 9 HE ARG 1 HE ARG 1 0.999 0.577 2.837 10 HH11 ARG 1 1HH1 ARG 1 3.324 -2.013 2.873 11 HH12 ARG 1 2HH1 ARG 1 3.080 -2.384 4.547 12 HH21 ARG 1 1HH2 ARG 1 0.668 0.098 5.042 13 HH22 ARG 1 2HH2 ARG 1 1.568 -1.183 5.780 14 H SER 2 H SER 2 4.013 1.581 -3.784 15 HA SER 2 HA SER 2 3.181 4.257 -3.051 16 HB2 SER 2 2HB SER 2 4.557 4.791 -5.204 17 HB3 SER 2 3HB SER 2 5.404 4.244 -3.757 18 HG SER 2 HG SER 2 6.157 2.744 -5.016 19 H LYS 3 H LYS 3 2.474 1.864 -5.502 20 HA LYS 3 HA LYS 3 1.023 3.600 -7.234 21 HB2 LYS 3 2HB LYS 3 1.705 0.779 -7.112 22 HB3 LYS 3 3HB LYS 3 0.047 1.022 -7.648 23 HG2 LYS 3 2HG LYS 3 1.569 2.889 -9.063 24 HG3 LYS 3 3HG LYS 3 2.505 1.393 -9.084 25 HD2 LYS 3 2HD LYS 3 0.888 0.239 -10.242 26 HD3 LYS 3 3HD LYS 3 -0.419 1.270 -9.655 27 HE2 LYS 3 2HE LYS 3 1.468 2.793 -11.213 28 HE3 LYS 3 3HE LYS 3 0.880 1.406 -12.130 29 HZ1 LYS 3 3HZ LYS 3 -1.386 2.113 -11.672 30 HZ2 LYS 3 1HZ LYS 3 -0.525 3.338 -12.459 31 HZ3 LYS 3 2HZ LYS 3 -0.819 3.446 -10.797 32 H ASP 4 H ASP 4 0.248 1.815 -4.365 33 HA ASP 4 HA ASP 4 -2.615 2.046 -4.754 34 HB2 ASP 4 2HB ASP 4 -0.820 0.661 -2.876 35 HB3 ASP 4 3HB ASP 4 -2.308 1.268 -2.154 36 H LEU 5 H LEU 5 -0.055 3.746 -3.144 37 HA LEU 5 HA LEU 5 -1.736 5.247 -1.380 38 HB2 LEU 5 2HB LEU 5 1.024 4.855 -1.747 39 HB3 LEU 5 3HB LEU 5 0.736 6.580 -1.971 40 HG LEU 5 HG LEU 5 -0.548 6.389 0.285 41 HD11 LEU 5 1HD1 LEU 5 -0.386 3.883 0.279 42 HD12 LEU 5 2HD1 LEU 5 0.163 4.671 1.758 43 HD13 LEU 5 3HD1 LEU 5 1.340 4.066 0.592 44 HD21 LEU 5 3HD2 LEU 5 2.457 6.255 0.079 45 HD22 LEU 5 1HD2 LEU 5 1.564 6.784 1.505 46 HD23 LEU 5 2HD2 LEU 5 1.454 7.704 0.004 47 H ARG 6 H ARG 6 -0.637 5.589 -4.656 48 HA ARG 6 HA ARG 6 -0.936 8.326 -5.051 49 HB2 ARG 6 2HB ARG 6 -0.036 6.553 -6.666 50 HB3 ARG 6 3HB ARG 6 -1.715 6.264 -7.103 51 HG2 ARG 6 2HG ARG 6 -1.953 8.545 -7.858 52 HG3 ARG 6 3HG ARG 6 -0.312 8.918 -7.325 53 HD2 ARG 6 2HD ARG 6 -0.269 6.625 -9.038 54 HD3 ARG 6 3HD ARG 6 -1.146 7.933 -9.830 55 HE ARG 6 HE ARG 6 1.103 9.129 -8.876 56 HH11 ARG 6 1HH1 ARG 6 0.483 6.370 -10.905 57 HH12 ARG 6 2HH1 ARG 6 1.951 6.540 -11.809 58 HH21 ARG 6 1HH2 ARG 6 3.039 9.365 -10.059 59 HH22 ARG 6 2HH2 ARG 6 3.405 8.244 -11.326 60 H HIS 7 H HIS 7 -3.335 5.794 -4.829 61 HA HIS 7 HA HIS 7 -5.502 7.382 -5.826 62 HB2 HIS 7 2HB HIS 7 -5.246 4.703 -4.520 63 HB3 HIS 7 3HB HIS 7 -6.831 5.467 -4.595 64 HD1 HIS 7 HD1 HIS 7 -7.634 3.578 -6.204 65 HD2 HIS 7 HD2 HIS 7 -4.537 5.916 -7.688 66 HE1 HIS 7 HE1 HIS 7 -7.523 3.064 -8.663 67 H ALA 8 H ALA 8 -3.883 7.105 -2.828 68 HA ALA 8 HA ALA 8 -6.059 7.916 -1.150 69 HB1 ALA 8 1HB ALA 8 -3.278 8.381 -0.259 70 HB2 ALA 8 2HB ALA 8 -4.633 7.633 0.587 71 HB3 ALA 8 3HB ALA 8 -3.732 6.716 -0.620 72 H PHE 9 H PHE 9 -3.765 9.531 -3.154 73 HA PHE 9 HA PHE 9 -3.690 12.040 -1.877 74 HB2 PHE 9 2HB PHE 9 -3.133 11.070 -4.652 75 HB3 PHE 9 3HB PHE 9 -3.224 12.803 -4.355 76 HD1 PHE 9 HD1 PHE 9 -1.594 9.741 -2.993 77 HD2 PHE 9 HD2 PHE 9 -1.309 13.920 -3.747 78 HE1 PHE 9 HE1 PHE 9 0.737 9.721 -2.204 79 HE2 PHE 9 HE2 PHE 9 1.022 13.906 -2.960 80 HZ PHE 9 HZ PHE 9 2.049 11.805 -2.189 81 H ARG 10 H ARG 10 -6.054 10.519 -3.909 82 HA ARG 10 HA ARG 10 -7.450 12.913 -4.621 83 HB2 ARG 10 2HB ARG 10 -7.651 10.976 -6.043 84 HB3 ARG 10 3HB ARG 10 -8.256 10.004 -4.708 85 HG2 ARG 10 2HG ARG 10 -10.331 11.053 -4.720 86 HG3 ARG 10 3HG ARG 10 -9.726 12.445 -5.620 87 HD2 ARG 10 2HD ARG 10 -9.825 11.361 -7.632 88 HD3 ARG 10 3HD ARG 10 -9.583 9.771 -6.909 89 HE ARG 10 HE ARG 10 -12.101 10.997 -6.243 90 HH11 ARG 10 1HH1 ARG 10 -10.384 9.002 -8.521 91 HH12 ARG 10 2HH1 ARG 10 -11.813 8.224 -9.116 92 HH21 ARG 10 1HH2 ARG 10 -13.991 9.981 -7.019 93 HH22 ARG 10 2HH2 ARG 10 -13.864 8.782 -8.262 94 H SEP 11 H SEP 11 -7.476 10.705 -1.908 95 HA SEP 11 HA SEP 11 -10.107 11.289 -0.945 96 HB2 SEP 11 2HB SEP 11 -9.375 9.478 0.326 97 HB3 SEP 11 3HB SEP 11 -7.689 9.860 0.081 98 H MET 12 H MET 12 -7.043 12.919 -0.612 99 HA MET 12 HA MET 12 -7.921 14.840 1.301 100 HB2 MET 12 2HB MET 12 -5.515 14.164 0.761 101 HB3 MET 12 3HB MET 12 -5.650 15.213 -0.644 102 HG2 MET 12 2HG MET 12 -6.414 16.978 1.129 103 HG3 MET 12 3HG MET 12 -5.562 15.913 2.245 104 HE1 MET 12 3HE MET 12 -3.026 17.918 2.648 105 HE2 MET 12 1HE MET 12 -3.725 16.335 2.991 106 HE3 MET 12 2HE MET 12 -2.203 16.454 2.107 107 H PHE 13 H PHE 13 -8.141 14.560 -2.143 108 HA PHE 13 HA PHE 13 -8.562 17.310 -2.726 109 HB2 PHE 13 2HB PHE 13 -8.578 14.793 -4.174 110 HB3 PHE 13 3HB PHE 13 -9.883 15.850 -4.701 111 HD1 PHE 13 HD2 PHE 13 -6.421 16.620 -3.567 112 HD2 PHE 13 HD1 PHE 13 -9.261 16.736 -6.735 113 HE1 PHE 13 HE2 PHE 13 -4.828 17.892 -4.944 114 HE2 PHE 13 HE1 PHE 13 -7.672 18.007 -8.118 115 HZ PHE 13 HZ PHE 13 -5.453 18.588 -7.223 116 HA PRO 14 HA PRO 14 -12.795 17.900 -1.718 117 HB2 PRO 14 2HB PRO 14 -13.660 19.486 -3.742 118 HB3 PRO 14 3HB PRO 14 -12.555 20.053 -2.484 119 HG2 PRO 14 2HG PRO 14 -11.970 19.209 -5.283 120 HG3 PRO 14 3HG PRO 14 -11.233 20.503 -4.321 121 HD2 PRO 14 2HD PRO 14 -10.068 18.085 -4.761 122 HD3 PRO 14 3HD PRO 14 -9.731 19.138 -3.372 123 H SER 15 H SER 15 -11.986 16.388 -4.704 124 HA SER 15 HA SER 15 -14.619 15.869 -5.640 125 HB2 SER 15 2HB SER 15 -12.938 13.830 -6.603 126 HB3 SER 15 3HB SER 15 -13.392 15.318 -7.433 127 HG SER 15 HG SER 15 -11.533 16.249 -6.821 128 H SER 16 H SER 16 -12.547 14.368 -3.304 129 HA SER 16 HA SER 16 -14.012 11.884 -3.232 130 HB2 SER 16 2HB SER 16 -11.597 12.985 -1.965 131 HB3 SER 16 3HB SER 16 -12.540 11.923 -0.920 132 HG SER 16 HG SER 16 -12.004 10.269 -2.116 133 H GLU 17 H GLU 17 -13.971 14.914 -1.480 134 HA GLU 17 HA GLU 17 -15.681 13.977 0.636 135 HB2 GLU 17 2HB GLU 17 -14.892 16.788 -0.151 136 HB3 GLU 17 3HB GLU 17 -15.740 16.345 1.325 137 HG2 GLU 17 2HG GLU 17 -13.871 15.282 2.224 138 HG3 GLU 17 3HG GLU 17 -13.066 15.175 0.659 Start of MODEL 12 1 H1 ARG 1 H ARG 1 2.804 -0.452 0.771 2 HA ARG 1 HA ARG 1 3.977 0.288 -1.098 3 HB2 ARG 1 2HB ARG 1 1.402 -0.947 -1.721 4 HB3 ARG 1 3HB ARG 1 2.032 0.029 -3.041 5 HG2 ARG 1 2HG ARG 1 3.239 -1.737 -3.622 6 HG3 ARG 1 3HG ARG 1 4.220 -1.435 -2.187 7 HD2 ARG 1 2HD ARG 1 2.944 -2.966 -0.892 8 HD3 ARG 1 3HD ARG 1 1.710 -3.095 -2.145 9 HE ARG 1 HE ARG 1 2.984 -4.693 -3.156 10 HH11 ARG 1 1HH1 ARG 1 5.015 -2.836 -1.024 11 HH12 ARG 1 2HH1 ARG 1 6.407 -3.840 -1.263 12 HH21 ARG 1 1HH2 ARG 1 4.809 -6.023 -3.478 13 HH22 ARG 1 2HH2 ARG 1 6.288 -5.652 -2.660 14 H SER 2 H SER 2 4.039 1.737 -3.007 15 HA SER 2 HA SER 2 3.093 4.352 -2.261 16 HB2 SER 2 2HB SER 2 4.213 4.648 -4.757 17 HB3 SER 2 3HB SER 2 5.090 4.762 -3.232 18 HG SER 2 HG SER 2 6.034 3.277 -4.735 19 H LYS 3 H LYS 3 2.164 1.859 -4.482 20 HA LYS 3 HA LYS 3 0.577 3.495 -6.200 21 HB2 LYS 3 2HB LYS 3 1.343 0.740 -6.034 22 HB3 LYS 3 3HB LYS 3 -0.403 0.834 -6.224 23 HG2 LYS 3 2HG LYS 3 -0.089 2.255 -8.207 24 HG3 LYS 3 3HG LYS 3 1.659 2.084 -8.029 25 HD2 LYS 3 2HD LYS 3 0.194 -0.454 -8.042 26 HD3 LYS 3 3HD LYS 3 0.067 0.464 -9.545 27 HE2 LYS 3 2HE LYS 3 2.282 0.248 -10.023 28 HE3 LYS 3 3HE LYS 3 2.757 0.221 -8.325 29 HZ1 LYS 3 3HZ LYS 3 1.521 -2.062 -8.384 30 HZ2 LYS 3 1HZ LYS 3 3.124 -1.938 -8.913 31 HZ3 LYS 3 2HZ LYS 3 1.862 -1.983 -10.039 32 H ASP 4 H ASP 4 0.063 1.920 -3.153 33 HA ASP 4 HA ASP 4 -2.810 2.050 -3.266 34 HB2 ASP 4 2HB ASP 4 -0.773 1.138 -1.318 35 HB3 ASP 4 3HB ASP 4 -2.300 1.696 -0.638 36 H LEU 5 H LEU 5 -0.207 4.045 -2.058 37 HA LEU 5 HA LEU 5 -1.877 5.775 -0.506 38 HB2 LEU 5 2HB LEU 5 0.931 5.470 -1.073 39 HB3 LEU 5 3HB LEU 5 0.454 7.162 -1.189 40 HG LEU 5 HG LEU 5 -0.123 5.450 1.221 41 HD11 LEU 5 1HD1 LEU 5 1.804 6.481 2.277 42 HD12 LEU 5 2HD1 LEU 5 2.192 7.331 0.782 43 HD13 LEU 5 3HD1 LEU 5 2.298 5.572 0.848 44 HD21 LEU 5 3HD2 LEU 5 0.045 8.444 0.997 45 HD22 LEU 5 1HD2 LEU 5 -0.619 7.481 2.317 46 HD23 LEU 5 2HD2 LEU 5 -1.459 7.551 0.767 47 H ARG 6 H ARG 6 -0.851 5.627 -3.821 48 HA ARG 6 HA ARG 6 -1.206 8.267 -4.621 49 HB2 ARG 6 2HB ARG 6 -0.520 5.973 -5.888 50 HB3 ARG 6 3HB ARG 6 -2.152 6.194 -6.504 51 HG2 ARG 6 2HG ARG 6 -1.479 7.771 -7.906 52 HG3 ARG 6 3HG ARG 6 -0.694 8.670 -6.606 53 HD2 ARG 6 2HD ARG 6 1.200 6.975 -6.806 54 HD3 ARG 6 3HD ARG 6 0.446 6.483 -8.322 55 HE ARG 6 HE ARG 6 0.902 9.306 -8.165 56 HH11 ARG 6 1HH1 ARG 6 2.357 6.234 -8.914 57 HH12 ARG 6 2HH1 ARG 6 3.552 6.910 -9.970 58 HH21 ARG 6 1HH2 ARG 6 2.470 10.209 -9.553 59 HH22 ARG 6 2HH2 ARG 6 3.617 9.172 -10.332 60 H HIS 7 H HIS 7 -3.555 5.765 -3.960 61 HA HIS 7 HA HIS 7 -5.769 7.151 -5.138 62 HB2 HIS 7 2HB HIS 7 -5.302 4.601 -3.840 63 HB3 HIS 7 3HB HIS 7 -6.787 5.347 -3.258 64 HD1 HIS 7 HD1 HIS 7 -8.675 5.754 -5.026 65 HD2 HIS 7 HD2 HIS 7 -5.389 3.640 -6.438 66 HE1 HIS 7 HE1 HIS 7 -9.415 4.735 -7.202 67 H ALA 8 H ALA 8 -4.085 7.358 -2.171 68 HA ALA 8 HA ALA 8 -6.241 8.386 -0.588 69 HB1 ALA 8 1HB ALA 8 -3.727 7.410 -0.044 70 HB2 ALA 8 2HB ALA 8 -3.571 9.134 0.295 71 HB3 ALA 8 3HB ALA 8 -4.811 8.182 1.113 72 H PHE 9 H PHE 9 -4.016 9.708 -2.866 73 HA PHE 9 HA PHE 9 -3.937 12.379 -1.996 74 HB2 PHE 9 2HB PHE 9 -3.032 10.886 -4.252 75 HB3 PHE 9 3HB PHE 9 -3.870 12.316 -4.843 76 HD1 PHE 9 HD1 PHE 9 -1.049 11.104 -2.831 77 HD2 PHE 9 HD2 PHE 9 -2.965 14.502 -4.532 78 HE1 PHE 9 HE1 PHE 9 0.950 12.460 -2.365 79 HE2 PHE 9 HE2 PHE 9 -0.969 15.864 -4.069 80 HZ PHE 9 HZ PHE 9 0.993 14.843 -2.985 81 H ARG 10 H ARG 10 -6.362 10.552 -3.675 82 HA ARG 10 HA ARG 10 -7.819 12.803 -4.674 83 HB2 ARG 10 2HB ARG 10 -8.004 9.925 -4.808 84 HB3 ARG 10 3HB ARG 10 -9.577 10.625 -4.449 85 HG2 ARG 10 2HG ARG 10 -7.904 11.700 -6.683 86 HG3 ARG 10 3HG ARG 10 -8.900 10.260 -6.905 87 HD2 ARG 10 2HD ARG 10 -10.201 12.601 -5.648 88 HD3 ARG 10 3HD ARG 10 -9.790 12.747 -7.357 89 HE ARG 10 HE ARG 10 -11.864 11.140 -6.213 90 HH11 ARG 10 1HH1 ARG 10 -9.651 11.423 -8.886 91 HH12 ARG 10 2HH1 ARG 10 -10.635 10.494 -9.968 92 HH21 ARG 10 1HH2 ARG 10 -13.168 9.915 -7.628 93 HH22 ARG 10 2HH2 ARG 10 -12.635 9.637 -9.252 94 H SEP 11 H SEP 11 -7.712 11.009 -1.670 95 HA SEP 11 HA SEP 11 -10.312 11.748 -0.704 96 HB2 SEP 11 2HB SEP 11 -8.223 10.089 0.255 97 HB3 SEP 11 3HB SEP 11 -8.189 11.389 1.419 98 H MET 12 H MET 12 -7.211 13.338 -0.692 99 HA MET 12 HA MET 12 -7.982 15.505 0.992 100 HB2 MET 12 2HB MET 12 -5.608 14.601 -0.242 101 HB3 MET 12 3HB MET 12 -5.879 16.239 -0.824 102 HG2 MET 12 2HG MET 12 -6.257 15.896 2.059 103 HG3 MET 12 3HG MET 12 -4.618 15.591 1.488 104 HE1 MET 12 3HE MET 12 -3.020 17.072 0.922 105 HE2 MET 12 1HE MET 12 -3.631 17.820 -0.554 106 HE3 MET 12 2HE MET 12 -3.107 18.830 0.794 107 H PHE 13 H PHE 13 -8.336 14.797 -2.378 108 HA PHE 13 HA PHE 13 -8.730 17.460 -3.291 109 HB2 PHE 13 2HB PHE 13 -8.868 14.774 -4.403 110 HB3 PHE 13 3HB PHE 13 -10.146 15.811 -5.027 111 HD1 PHE 13 HD2 PHE 13 -6.592 16.475 -4.114 112 HD2 PHE 13 HD1 PHE 13 -9.584 16.505 -7.141 113 HE1 PHE 13 HE2 PHE 13 -4.993 17.497 -5.680 114 HE2 PHE 13 HE1 PHE 13 -7.990 17.526 -8.712 115 HZ PHE 13 HZ PHE 13 -5.691 18.025 -7.982 116 HA PRO 14 HA PRO 14 -12.911 18.267 -2.217 117 HB2 PRO 14 2HB PRO 14 -13.825 19.607 -4.390 118 HB3 PRO 14 3HB PRO 14 -12.655 20.300 -3.261 119 HG2 PRO 14 2HG PRO 14 -12.205 19.074 -5.944 120 HG3 PRO 14 3HG PRO 14 -11.421 20.483 -5.207 121 HD2 PRO 14 2HD PRO 14 -10.300 18.005 -5.355 122 HD3 PRO 14 3HD PRO 14 -9.888 19.215 -4.123 123 H SER 15 H SER 15 -12.242 16.372 -5.014 124 HA SER 15 HA SER 15 -14.918 15.798 -5.782 125 HB2 SER 15 2HB SER 15 -14.004 14.359 -7.349 126 HB3 SER 15 3HB SER 15 -12.639 15.436 -7.057 127 HG SER 15 HG SER 15 -11.890 13.860 -5.522 128 H SER 16 H SER 16 -12.787 14.559 -3.348 129 HA SER 16 HA SER 16 -14.348 12.162 -2.898 130 HB2 SER 16 2HB SER 16 -11.832 12.316 -2.575 131 HB3 SER 16 3HB SER 16 -12.163 13.269 -1.129 132 HG SER 16 HG SER 16 -11.999 10.727 -1.187 133 H GLU 17 H GLU 17 -14.087 15.386 -1.615 134 HA GLU 17 HA GLU 17 -15.560 14.838 0.789 135 HB2 GLU 17 2HB GLU 17 -13.982 16.949 -0.169 136 HB3 GLU 17 3HB GLU 17 -15.598 17.619 0.002 137 HG2 GLU 17 2HG GLU 17 -13.978 16.256 2.139 138 HG3 GLU 17 3HG GLU 17 -14.353 17.975 2.025 Start of MODEL 13 1 H1 ARG 1 H ARG 1 2.586 1.010 1.546 2 HA ARG 1 HA ARG 1 3.719 1.073 -0.436 3 HB2 ARG 1 2HB ARG 1 1.313 -0.381 -0.753 4 HB3 ARG 1 3HB ARG 1 1.537 0.553 -2.226 5 HG2 ARG 1 2HG ARG 1 3.896 -0.900 -1.192 6 HG3 ARG 1 3HG ARG 1 2.585 -1.867 -1.871 7 HD2 ARG 1 2HD ARG 1 2.818 0.094 -3.735 8 HD3 ARG 1 3HD ARG 1 4.488 -0.059 -3.192 9 HE ARG 1 HE ARG 1 3.062 -1.888 -4.825 10 HH11 ARG 1 1HH1 ARG 1 5.444 -1.725 -2.292 11 HH12 ARG 1 2HH1 ARG 1 6.209 -3.214 -2.737 12 HH21 ARG 1 1HH2 ARG 1 4.061 -3.849 -5.422 13 HH22 ARG 1 2HH2 ARG 1 5.423 -4.421 -4.519 14 H SER 2 H SER 2 3.681 1.971 -2.763 15 HA SER 2 HA SER 2 2.905 4.763 -2.561 16 HB2 SER 2 2HB SER 2 4.891 3.218 -4.064 17 HB3 SER 2 3HB SER 2 4.103 4.468 -5.026 18 HG SER 2 HG SER 2 6.066 5.014 -3.687 19 H LYS 3 H LYS 3 2.049 1.890 -4.350 20 HA LYS 3 HA LYS 3 0.462 3.252 -6.312 21 HB2 LYS 3 2HB LYS 3 1.132 0.457 -5.643 22 HB3 LYS 3 3HB LYS 3 -0.451 0.692 -6.373 23 HG2 LYS 3 2HG LYS 3 0.618 1.873 -8.251 24 HG3 LYS 3 3HG LYS 3 2.195 1.546 -7.529 25 HD2 LYS 3 2HD LYS 3 1.855 -0.832 -7.753 26 HD3 LYS 3 3HD LYS 3 0.205 -0.577 -8.328 27 HE2 LYS 3 2HE LYS 3 1.427 0.878 -10.151 28 HE3 LYS 3 3HE LYS 3 2.801 -0.141 -9.725 29 HZ1 LYS 3 3HZ LYS 3 0.144 -1.110 -10.634 30 HZ2 LYS 3 1HZ LYS 3 1.460 -2.090 -10.221 31 HZ3 LYS 3 2HZ LYS 3 1.554 -1.072 -11.568 32 H ASP 4 H ASP 4 -0.053 1.993 -3.125 33 HA ASP 4 HA ASP 4 -2.945 2.052 -3.360 34 HB2 ASP 4 2HB ASP 4 -1.020 0.897 -1.544 35 HB3 ASP 4 3HB ASP 4 -2.235 1.807 -0.651 36 H LEU 5 H LEU 5 -0.368 4.089 -2.252 37 HA LEU 5 HA LEU 5 -1.994 5.814 -0.647 38 HB2 LEU 5 2HB LEU 5 0.776 5.516 -1.281 39 HB3 LEU 5 3HB LEU 5 0.304 7.194 -1.542 40 HG LEU 5 HG LEU 5 1.208 6.890 0.689 41 HD11 LEU 5 1HD1 LEU 5 -0.520 8.563 0.399 42 HD12 LEU 5 2HD1 LEU 5 -0.667 7.804 1.984 43 HD13 LEU 5 3HD1 LEU 5 -1.771 7.353 0.684 44 HD21 LEU 5 3HD2 LEU 5 0.815 4.627 1.188 45 HD22 LEU 5 1HD2 LEU 5 -0.918 4.778 0.898 46 HD23 LEU 5 2HD2 LEU 5 -0.194 5.529 2.320 47 H ARG 6 H ARG 6 -1.137 5.621 -4.008 48 HA ARG 6 HA ARG 6 -1.592 8.236 -4.839 49 HB2 ARG 6 2HB ARG 6 -1.296 5.663 -6.068 50 HB3 ARG 6 3HB ARG 6 -2.625 6.519 -6.838 51 HG2 ARG 6 2HG ARG 6 -1.218 8.340 -7.431 52 HG3 ARG 6 3HG ARG 6 0.102 7.719 -6.438 53 HD2 ARG 6 2HD ARG 6 -0.957 5.929 -8.546 54 HD3 ARG 6 3HD ARG 6 -0.039 7.336 -9.080 55 HE ARG 6 HE ARG 6 0.988 4.993 -7.794 56 HH11 ARG 6 1HH1 ARG 6 1.491 8.400 -8.300 57 HH12 ARG 6 2HH1 ARG 6 3.200 8.321 -8.027 58 HH21 ARG 6 1HH2 ARG 6 3.237 4.876 -7.433 59 HH22 ARG 6 2HH2 ARG 6 4.192 6.315 -7.535 60 H HIS 7 H HIS 7 -3.847 5.698 -4.010 61 HA HIS 7 HA HIS 7 -6.150 7.013 -5.096 62 HB2 HIS 7 2HB HIS 7 -5.581 4.461 -4.114 63 HB3 HIS 7 3HB HIS 7 -6.745 5.128 -2.972 64 HD1 HIS 7 HD1 HIS 7 -6.523 5.225 -6.779 65 HD2 HIS 7 HD2 HIS 7 -9.196 4.312 -3.733 66 HE1 HIS 7 HE1 HIS 7 -8.666 4.591 -7.933 67 H ALA 8 H ALA 8 -4.320 7.316 -2.226 68 HA ALA 8 HA ALA 8 -6.414 8.328 -0.551 69 HB1 ALA 8 1HB ALA 8 -3.877 7.398 -0.103 70 HB2 ALA 8 2HB ALA 8 -3.698 9.134 0.153 71 HB3 ALA 8 3HB ALA 8 -4.890 8.224 1.081 72 H PHE 9 H PHE 9 -4.340 9.652 -2.967 73 HA PHE 9 HA PHE 9 -4.286 12.342 -2.148 74 HB2 PHE 9 2HB PHE 9 -3.535 10.818 -4.484 75 HB3 PHE 9 3HB PHE 9 -4.299 12.332 -4.958 76 HD1 PHE 9 HD1 PHE 9 -1.892 11.250 -2.314 77 HD2 PHE 9 HD2 PHE 9 -2.816 14.007 -5.422 78 HE1 PHE 9 HE1 PHE 9 0.216 12.443 -1.878 79 HE2 PHE 9 HE2 PHE 9 -0.709 15.204 -4.992 80 HZ PHE 9 HZ PHE 9 0.810 14.421 -3.218 81 H ARG 10 H ARG 10 -6.739 10.419 -3.660 82 HA ARG 10 HA ARG 10 -8.292 12.599 -4.668 83 HB2 ARG 10 2HB ARG 10 -9.110 9.748 -4.077 84 HB3 ARG 10 3HB ARG 10 -10.042 10.909 -5.012 85 HG2 ARG 10 2HG ARG 10 -7.277 10.014 -5.781 86 HG3 ARG 10 3HG ARG 10 -8.751 9.226 -6.347 87 HD2 ARG 10 2HD ARG 10 -9.470 11.554 -7.132 88 HD3 ARG 10 3HD ARG 10 -7.785 12.016 -6.892 89 HE ARG 10 HE ARG 10 -8.855 10.414 -9.019 90 HH11 ARG 10 1HH1 ARG 10 -6.015 11.127 -7.137 91 HH12 ARG 10 2HH1 ARG 10 -4.910 10.595 -8.362 92 HH21 ARG 10 1HH2 ARG 10 -7.412 9.710 -10.639 93 HH22 ARG 10 2HH2 ARG 10 -5.706 9.790 -10.353 94 H SEP 11 H SEP 11 -7.994 10.942 -1.600 95 HA SEP 11 HA SEP 11 -10.566 11.735 -0.554 96 HB2 SEP 11 2HB SEP 11 -9.343 9.835 0.501 97 HB3 SEP 11 3HB SEP 11 -7.964 10.836 0.879 98 H MET 12 H MET 12 -7.417 13.224 -0.683 99 HA MET 12 HA MET 12 -8.053 15.434 1.000 100 HB2 MET 12 2HB MET 12 -5.746 14.423 -0.157 101 HB3 MET 12 3HB MET 12 -5.988 15.950 -0.994 102 HG2 MET 12 2HG MET 12 -6.234 15.948 1.958 103 HG3 MET 12 3HG MET 12 -4.624 15.766 1.265 104 HE1 MET 12 3HE MET 12 -3.597 18.520 -0.420 105 HE2 MET 12 1HE MET 12 -3.401 18.846 1.303 106 HE3 MET 12 2HE MET 12 -3.275 17.194 0.699 107 H PHE 13 H PHE 13 -8.563 14.696 -2.343 108 HA PHE 13 HA PHE 13 -8.906 17.360 -3.276 109 HB2 PHE 13 2HB PHE 13 -9.335 14.638 -4.331 110 HB3 PHE 13 3HB PHE 13 -10.387 15.875 -5.011 111 HD1 PHE 13 HD2 PHE 13 -6.794 15.795 -3.999 112 HD2 PHE 13 HD1 PHE 13 -9.646 16.559 -7.065 113 HE1 PHE 13 HE2 PHE 13 -4.981 16.503 -5.505 114 HE2 PHE 13 HE1 PHE 13 -7.838 17.267 -8.576 115 HZ PHE 13 HZ PHE 13 -5.502 17.241 -7.796 116 HA PRO 14 HA PRO 14 -13.015 18.313 -2.055 117 HB2 PRO 14 2HB PRO 14 -13.970 19.655 -4.208 118 HB3 PRO 14 3HB PRO 14 -12.735 20.324 -3.135 119 HG2 PRO 14 2HG PRO 14 -12.429 19.050 -5.817 120 HG3 PRO 14 3HG PRO 14 -11.573 20.443 -5.131 121 HD2 PRO 14 2HD PRO 14 -10.542 17.930 -5.288 122 HD3 PRO 14 3HD PRO 14 -10.036 19.136 -4.088 123 H SER 15 H SER 15 -12.514 16.363 -4.848 124 HA SER 15 HA SER 15 -15.234 15.865 -5.507 125 HB2 SER 15 2HB SER 15 -13.118 15.445 -6.935 126 HB3 SER 15 3HB SER 15 -12.994 13.927 -6.045 127 HG SER 15 HG SER 15 -14.433 13.181 -7.365 128 H SER 16 H SER 16 -13.051 14.589 -3.138 129 HA SER 16 HA SER 16 -14.643 12.236 -2.603 130 HB2 SER 16 2HB SER 16 -12.372 11.854 -2.195 131 HB3 SER 16 3HB SER 16 -12.149 13.419 -1.414 132 HG SER 16 HG SER 16 -13.067 11.025 -0.371 133 H GLU 17 H GLU 17 -14.247 15.462 -1.314 134 HA GLU 17 HA GLU 17 -15.767 14.946 1.074 135 HB2 GLU 17 2HB GLU 17 -14.148 17.078 0.040 136 HB3 GLU 17 3HB GLU 17 -15.703 17.724 0.545 137 HG2 GLU 17 2HG GLU 17 -14.289 17.893 2.412 138 HG3 GLU 17 3HG GLU 17 -15.356 16.528 2.735 Start of MODEL 14 1 H1 ARG 1 H ARG 1 4.637 -0.744 -1.180 2 HA ARG 1 HA ARG 1 2.831 -0.547 -3.159 3 HB2 ARG 1 2HB ARG 1 1.123 0.072 -1.380 4 HB3 ARG 1 3HB ARG 1 2.080 -1.371 -1.077 5 HG2 ARG 1 2HG ARG 1 3.561 -0.030 0.384 6 HG3 ARG 1 3HG ARG 1 2.485 1.349 0.146 7 HD2 ARG 1 2HD ARG 1 0.925 -0.914 0.899 8 HD3 ARG 1 3HD ARG 1 2.266 -0.752 2.031 9 HE ARG 1 HE ARG 1 0.019 1.021 1.735 10 HH11 ARG 1 1HH1 ARG 1 3.307 0.708 2.837 11 HH12 ARG 1 2HH1 ARG 1 3.195 2.025 3.957 12 HH21 ARG 1 1HH2 ARG 1 -0.141 2.757 3.206 13 HH22 ARG 1 2HH2 ARG 1 1.233 3.189 4.167 14 H SER 2 H SER 2 4.418 1.489 -3.909 15 HA SER 2 HA SER 2 3.432 4.058 -3.160 16 HB2 SER 2 2HB SER 2 5.607 4.158 -3.974 17 HB3 SER 2 3HB SER 2 5.275 3.031 -5.290 18 HG SER 2 HG SER 2 5.358 5.600 -5.487 19 H LYS 3 H LYS 3 2.566 1.701 -5.561 20 HA LYS 3 HA LYS 3 1.047 3.458 -7.222 21 HB2 LYS 3 2HB LYS 3 1.959 1.333 -8.057 22 HB3 LYS 3 3HB LYS 3 0.921 0.449 -6.945 23 HG2 LYS 3 2HG LYS 3 -1.051 1.257 -8.094 24 HG3 LYS 3 3HG LYS 3 -0.048 2.231 -9.171 25 HD2 LYS 3 2HD LYS 3 1.028 0.161 -9.985 26 HD3 LYS 3 3HD LYS 3 -0.058 -0.780 -8.959 27 HE2 LYS 3 2HE LYS 3 -1.874 0.678 -10.260 28 HE3 LYS 3 3HE LYS 3 -0.602 0.682 -11.481 29 HZ1 LYS 3 3HZ LYS 3 -2.084 -1.168 -11.827 30 HZ2 LYS 3 1HZ LYS 3 -1.838 -1.720 -10.247 31 HZ3 LYS 3 2HZ LYS 3 -0.565 -1.749 -11.360 32 H ASP 4 H ASP 4 0.377 1.530 -4.386 33 HA ASP 4 HA ASP 4 -2.478 1.772 -4.586 34 HB2 ASP 4 2HB ASP 4 -0.596 0.357 -2.931 35 HB3 ASP 4 3HB ASP 4 -1.771 1.190 -1.917 36 H LEU 5 H LEU 5 0.107 3.621 -3.198 37 HA LEU 5 HA LEU 5 -1.523 5.155 -1.415 38 HB2 LEU 5 2HB LEU 5 1.283 5.055 -2.223 39 HB3 LEU 5 3HB LEU 5 0.702 6.686 -1.892 40 HG LEU 5 HG LEU 5 0.345 4.445 0.079 41 HD11 LEU 5 1HD1 LEU 5 2.691 4.494 -0.267 42 HD12 LEU 5 2HD1 LEU 5 2.372 5.405 1.208 43 HD13 LEU 5 3HD1 LEU 5 2.717 6.257 -0.296 44 HD21 LEU 5 3HD2 LEU 5 0.760 7.019 1.211 45 HD22 LEU 5 1HD2 LEU 5 -0.684 6.008 1.266 46 HD23 LEU 5 2HD2 LEU 5 -0.462 7.158 -0.053 47 H ARG 6 H ARG 6 -0.615 5.371 -4.760 48 HA ARG 6 HA ARG 6 -1.023 8.076 -5.264 49 HB2 ARG 6 2HB ARG 6 -0.903 5.617 -6.826 50 HB3 ARG 6 3HB ARG 6 -2.003 6.800 -7.522 51 HG2 ARG 6 2HG ARG 6 0.006 8.437 -7.130 52 HG3 ARG 6 3HG ARG 6 0.943 6.941 -7.141 53 HD2 ARG 6 2HD ARG 6 0.018 6.372 -9.328 54 HD3 ARG 6 3HD ARG 6 -0.942 7.851 -9.313 55 HE ARG 6 HE ARG 6 1.629 8.704 -8.986 56 HH11 ARG 6 1HH1 ARG 6 -0.038 6.757 -11.342 57 HH12 ARG 6 2HH1 ARG 6 0.993 7.228 -12.653 58 HH21 ARG 6 1HH2 ARG 6 2.994 9.331 -10.703 59 HH22 ARG 6 2HH2 ARG 6 2.718 8.691 -12.288 60 H HIS 7 H HIS 7 -3.323 5.487 -4.792 61 HA HIS 7 HA HIS 7 -5.591 6.960 -5.739 62 HB2 HIS 7 2HB HIS 7 -5.674 4.553 -5.816 63 HB3 HIS 7 3HB HIS 7 -5.360 4.439 -4.087 64 HD1 HIS 7 HD1 HIS 7 -8.062 5.467 -6.512 65 HD2 HIS 7 HD2 HIS 7 -7.588 4.582 -2.481 66 HE1 HIS 7 HE1 HIS 7 -10.391 5.355 -5.570 67 H ALA 8 H ALA 8 -3.804 6.875 -2.827 68 HA ALA 8 HA ALA 8 -5.912 7.701 -1.070 69 HB1 ALA 8 1HB ALA 8 -3.266 8.412 -0.151 70 HB2 ALA 8 2HB ALA 8 -4.425 7.267 0.525 71 HB3 ALA 8 3HB ALA 8 -3.320 6.754 -0.750 72 H PHE 9 H PHE 9 -3.783 9.286 -3.270 73 HA PHE 9 HA PHE 9 -3.727 11.855 -2.115 74 HB2 PHE 9 2HB PHE 9 -2.857 10.620 -4.554 75 HB3 PHE 9 3HB PHE 9 -3.668 12.137 -4.931 76 HD1 PHE 9 HD2 PHE 9 -2.905 14.223 -3.655 77 HD2 PHE 9 HD1 PHE 9 -0.656 10.614 -3.828 78 HE1 PHE 9 HE2 PHE 9 -0.872 15.464 -3.038 79 HE2 PHE 9 HE1 PHE 9 1.381 11.849 -3.210 80 HZ PHE 9 HZ PHE 9 1.274 14.278 -2.816 81 H ARG 10 H ARG 10 -6.135 10.162 -3.946 82 HA ARG 10 HA ARG 10 -7.642 12.472 -4.709 83 HB2 ARG 10 2HB ARG 10 -7.830 9.585 -5.043 84 HB3 ARG 10 3HB ARG 10 -9.396 10.318 -4.723 85 HG2 ARG 10 2HG ARG 10 -9.141 10.262 -7.067 86 HG3 ARG 10 3HG ARG 10 -8.896 11.940 -6.577 87 HD2 ARG 10 2HD ARG 10 -6.392 10.573 -6.503 88 HD3 ARG 10 3HD ARG 10 -7.160 10.273 -8.061 89 HE ARG 10 HE ARG 10 -5.983 12.701 -7.196 90 HH11 ARG 10 1HH1 ARG 10 -8.658 11.442 -9.035 91 HH12 ARG 10 2HH1 ARG 10 -8.790 12.842 -10.047 92 HH21 ARG 10 1HH2 ARG 10 -6.148 14.550 -8.521 93 HH22 ARG 10 2HH2 ARG 10 -7.362 14.609 -9.754 94 H SEP 11 H SEP 11 -7.470 10.403 -1.891 95 HA SEP 11 HA SEP 11 -10.072 11.027 -0.836 96 HB2 SEP 11 2HB SEP 11 -8.556 9.061 -0.070 97 HB3 SEP 11 3HB SEP 11 -7.558 10.203 0.794 98 H MET 12 H MET 12 -6.966 12.600 -0.680 99 HA MET 12 HA MET 12 -7.694 14.569 1.239 100 HB2 MET 12 2HB MET 12 -5.339 13.775 0.171 101 HB3 MET 12 3HB MET 12 -5.614 15.246 -0.752 102 HG2 MET 12 2HG MET 12 -6.134 15.706 2.033 103 HG3 MET 12 3HG MET 12 -4.531 15.009 1.811 104 HE1 MET 12 3HE MET 12 -4.088 18.719 2.504 105 HE2 MET 12 1HE MET 12 -4.159 17.070 3.127 106 HE3 MET 12 2HE MET 12 -2.783 17.586 2.152 107 H PHE 13 H PHE 13 -8.153 14.239 -2.177 108 HA PHE 13 HA PHE 13 -8.581 16.985 -2.774 109 HB2 PHE 13 2HB PHE 13 -8.749 14.438 -4.174 110 HB3 PHE 13 3HB PHE 13 -10.047 15.533 -4.639 111 HD1 PHE 13 HD2 PHE 13 -6.481 16.149 -3.746 112 HD2 PHE 13 HD1 PHE 13 -9.535 16.416 -6.699 113 HE1 PHE 13 HE2 PHE 13 -4.931 17.346 -5.236 114 HE2 PHE 13 HE1 PHE 13 -7.990 17.613 -8.194 115 HZ PHE 13 HZ PHE 13 -5.685 18.080 -7.463 116 HA PRO 14 HA PRO 14 -12.726 17.651 -1.489 117 HB2 PRO 14 2HB PRO 14 -13.718 19.201 -3.479 118 HB3 PRO 14 3HB PRO 14 -12.513 19.783 -2.325 119 HG2 PRO 14 2HG PRO 14 -12.150 18.844 -5.135 120 HG3 PRO 14 3HG PRO 14 -11.345 20.174 -4.282 121 HD2 PRO 14 2HD PRO 14 -10.213 17.746 -4.714 122 HD3 PRO 14 3HD PRO 14 -9.771 18.817 -3.369 123 H SER 15 H SER 15 -12.138 16.045 -4.474 124 HA SER 15 HA SER 15 -14.834 15.540 -5.223 125 HB2 SER 15 2HB SER 15 -13.396 15.225 -7.006 126 HB3 SER 15 3HB SER 15 -12.163 14.449 -6.011 127 HG SER 15 HG SER 15 -13.363 12.581 -6.002 128 H SER 16 H SER 16 -12.639 14.079 -2.976 129 HA SER 16 HA SER 16 -13.935 11.558 -2.760 130 HB2 SER 16 2HB SER 16 -11.555 12.393 -1.935 131 HB3 SER 16 3HB SER 16 -12.442 12.713 -0.444 132 HG SER 16 HG SER 16 -13.233 10.381 -0.997 133 H GLU 17 H GLU 17 -14.515 14.695 -1.407 134 HA GLU 17 HA GLU 17 -16.258 13.714 0.684 135 HB2 GLU 17 2HB GLU 17 -15.061 16.274 -0.067 136 HB3 GLU 17 3HB GLU 17 -16.730 16.425 0.465 137 HG2 GLU 17 2HG GLU 17 -15.753 14.804 2.385 138 HG3 GLU 17 3HG GLU 17 -14.312 15.739 1.985 Start of MODEL 15 1 H1 ARG 1 H ARG 1 5.430 1.305 -1.252 2 HA ARG 1 HA ARG 1 3.781 0.108 -3.166 3 HB2 ARG 1 2HB ARG 1 2.402 0.524 -0.508 4 HB3 ARG 1 3HB ARG 1 1.636 0.024 -2.009 5 HG2 ARG 1 2HG ARG 1 3.094 -2.013 -1.967 6 HG3 ARG 1 3HG ARG 1 3.597 -1.531 -0.345 7 HD2 ARG 1 2HD ARG 1 1.057 -1.436 0.148 8 HD3 ARG 1 3HD ARG 1 0.904 -2.421 -1.306 9 HE ARG 1 HE ARG 1 1.908 -3.255 1.256 10 HH11 ARG 1 1HH1 ARG 1 1.917 -3.880 -2.169 11 HH12 ARG 1 2HH1 ARG 1 2.335 -5.552 -1.995 12 HH21 ARG 1 1HH2 ARG 1 2.459 -5.454 1.498 13 HH22 ARG 1 2HH2 ARG 1 2.643 -6.447 0.092 14 H SER 2 H SER 2 4.505 2.075 -4.124 15 HA SER 2 HA SER 2 3.606 4.593 -3.022 16 HB2 SER 2 2HB SER 2 5.792 4.182 -4.329 17 HB3 SER 2 3HB SER 2 4.778 4.215 -5.771 18 HG SER 2 HG SER 2 5.692 6.278 -5.182 19 H LYS 3 H LYS 3 2.563 2.292 -5.400 20 HA LYS 3 HA LYS 3 0.799 4.011 -6.826 21 HB2 LYS 3 2HB LYS 3 -0.140 1.932 -7.746 22 HB3 LYS 3 3HB LYS 3 1.618 1.943 -7.820 23 HG2 LYS 3 2HG LYS 3 1.777 0.448 -5.966 24 HG3 LYS 3 3HG LYS 3 0.043 0.568 -5.656 25 HD2 LYS 3 2HD LYS 3 1.119 -0.442 -8.273 26 HD3 LYS 3 3HD LYS 3 0.886 -1.511 -6.887 27 HE2 LYS 3 2HE LYS 3 -1.172 -1.775 -7.763 28 HE3 LYS 3 3HE LYS 3 -1.501 -0.250 -6.943 29 HZ1 LYS 3 3HZ LYS 3 -0.558 0.674 -9.222 30 HZ2 LYS 3 1HZ LYS 3 -2.195 0.305 -9.006 31 HZ3 LYS 3 2HZ LYS 3 -1.176 -0.796 -9.787 32 H ASP 4 H ASP 4 0.530 2.086 -3.929 33 HA ASP 4 HA ASP 4 -2.315 2.137 -3.766 34 HB2 ASP 4 2HB ASP 4 -0.075 1.322 -2.001 35 HB3 ASP 4 3HB ASP 4 -1.588 1.741 -1.203 36 H LEU 5 H LEU 5 0.255 4.251 -2.685 37 HA LEU 5 HA LEU 5 -1.398 5.838 -0.970 38 HB2 LEU 5 2HB LEU 5 1.321 5.564 -1.420 39 HB3 LEU 5 3HB LEU 5 0.954 7.181 -2.015 40 HG LEU 5 HG LEU 5 0.122 6.287 0.729 41 HD11 LEU 5 1HD1 LEU 5 2.479 5.922 0.702 42 HD12 LEU 5 2HD1 LEU 5 2.180 7.446 1.537 43 HD13 LEU 5 3HD1 LEU 5 2.764 7.453 -0.127 44 HD21 LEU 5 3HD2 LEU 5 -0.845 8.290 0.669 45 HD22 LEU 5 1HD2 LEU 5 -0.050 8.707 -0.849 46 HD23 LEU 5 2HD2 LEU 5 0.777 8.984 0.684 47 H ARG 6 H ARG 6 -0.597 5.841 -4.350 48 HA ARG 6 HA ARG 6 -1.153 8.477 -5.042 49 HB2 ARG 6 2HB ARG 6 -0.269 6.516 -6.486 50 HB3 ARG 6 3HB ARG 6 -1.967 6.170 -6.786 51 HG2 ARG 6 2HG ARG 6 -2.225 7.938 -8.152 52 HG3 ARG 6 3HG ARG 6 -1.147 8.964 -7.204 53 HD2 ARG 6 2HD ARG 6 -0.087 6.681 -8.833 54 HD3 ARG 6 3HD ARG 6 -0.410 8.251 -9.568 55 HE ARG 6 HE ARG 6 1.137 8.737 -7.329 56 HH11 ARG 6 1HH1 ARG 6 1.441 6.989 -10.324 57 HH12 ARG 6 2HH1 ARG 6 3.158 7.199 -10.423 58 HH21 ARG 6 1HH2 ARG 6 3.397 9.020 -7.448 59 HH22 ARG 6 2HH2 ARG 6 4.270 8.353 -8.786 60 H HIS 7 H HIS 7 -3.308 5.826 -4.302 61 HA HIS 7 HA HIS 7 -5.672 7.114 -5.284 62 HB2 HIS 7 2HB HIS 7 -5.148 4.679 -3.600 63 HB3 HIS 7 3HB HIS 7 -6.786 5.288 -3.819 64 HD1 HIS 7 HD1 HIS 7 -3.903 3.875 -5.807 65 HD2 HIS 7 HD2 HIS 7 -7.971 4.619 -6.204 66 HE1 HIS 7 HE1 HIS 7 -4.581 2.771 -7.963 67 H ALA 8 H ALA 8 -3.801 7.337 -2.433 68 HA ALA 8 HA ALA 8 -5.896 8.195 -0.676 69 HB1 ALA 8 1HB ALA 8 -4.167 8.654 0.907 70 HB2 ALA 8 2HB ALA 8 -3.758 7.149 0.082 71 HB3 ALA 8 3HB ALA 8 -2.935 8.647 -0.355 72 H PHE 9 H PHE 9 -3.911 9.705 -3.056 73 HA PHE 9 HA PHE 9 -3.966 12.357 -2.092 74 HB2 PHE 9 2HB PHE 9 -2.798 11.068 -4.229 75 HB3 PHE 9 3HB PHE 9 -3.997 12.094 -5.010 76 HD1 PHE 9 HD1 PHE 9 -1.687 12.508 -2.105 77 HD2 PHE 9 HD2 PHE 9 -3.071 14.015 -5.837 78 HE1 PHE 9 HE1 PHE 9 -0.173 14.435 -1.885 79 HE2 PHE 9 HE2 PHE 9 -1.559 15.943 -5.623 80 HZ PHE 9 HZ PHE 9 -0.107 16.155 -3.646 81 H ARG 10 H ARG 10 -6.305 10.401 -3.737 82 HA ARG 10 HA ARG 10 -7.935 12.539 -4.695 83 HB2 ARG 10 2HB ARG 10 -8.401 9.590 -4.297 84 HB3 ARG 10 3HB ARG 10 -9.679 10.665 -4.849 85 HG2 ARG 10 2HG ARG 10 -7.182 10.918 -6.349 86 HG3 ARG 10 3HG ARG 10 -7.940 9.328 -6.461 87 HD2 ARG 10 2HD ARG 10 -9.632 10.100 -7.710 88 HD3 ARG 10 3HD ARG 10 -9.823 11.545 -6.719 89 HE ARG 10 HE ARG 10 -7.491 11.716 -8.324 90 HH11 ARG 10 1HH1 ARG 10 -10.961 11.958 -8.458 91 HH12 ARG 10 2HH1 ARG 10 -10.964 13.034 -9.817 92 HH21 ARG 10 1HH2 ARG 10 -7.481 13.131 -10.113 93 HH22 ARG 10 2HH2 ARG 10 -8.984 13.699 -10.758 94 H SEP 11 H SEP 11 -7.613 10.822 -1.662 95 HA SEP 11 HA SEP 11 -10.214 11.443 -0.613 96 HB2 SEP 11 2HB SEP 11 -8.913 9.663 0.492 97 HB3 SEP 11 3HB SEP 11 -7.542 10.707 0.770 98 H MET 12 H MET 12 -7.200 13.188 -0.744 99 HA MET 12 HA MET 12 -8.004 15.341 0.935 100 HB2 MET 12 2HB MET 12 -5.687 14.623 -0.659 101 HB3 MET 12 3HB MET 12 -6.065 16.334 -0.809 102 HG2 MET 12 2HG MET 12 -6.269 16.035 1.857 103 HG3 MET 12 3HG MET 12 -5.058 14.809 1.493 104 HE1 MET 12 3HE MET 12 -3.111 17.729 3.008 105 HE2 MET 12 1HE MET 12 -4.748 18.379 2.928 106 HE3 MET 12 2HE MET 12 -4.490 16.699 3.397 107 H PHE 13 H PHE 13 -8.497 14.558 -2.401 108 HA PHE 13 HA PHE 13 -9.081 17.180 -3.330 109 HB2 PHE 13 2HB PHE 13 -9.206 14.449 -4.384 110 HB3 PHE 13 3HB PHE 13 -10.482 15.495 -4.999 111 HD1 PHE 13 HD2 PHE 13 -6.859 15.953 -4.215 112 HD2 PHE 13 HD1 PHE 13 -9.991 16.323 -7.073 113 HE1 PHE 13 HE2 PHE 13 -5.273 16.933 -5.821 114 HE2 PHE 13 HE1 PHE 13 -8.410 17.302 -8.684 115 HZ PHE 13 HZ PHE 13 -6.048 17.609 -8.059 116 HA PRO 14 HA PRO 14 -13.237 17.784 -2.045 117 HB2 PRO 14 2HB PRO 14 -14.337 19.032 -4.185 118 HB3 PRO 14 3HB PRO 14 -13.147 19.807 -3.134 119 HG2 PRO 14 2HG PRO 14 -12.775 18.552 -5.817 120 HG3 PRO 14 3HG PRO 14 -12.034 20.019 -5.150 121 HD2 PRO 14 2HD PRO 14 -10.784 17.604 -5.313 122 HD3 PRO 14 3HD PRO 14 -10.376 18.857 -4.124 123 H SER 15 H SER 15 -12.611 15.864 -4.831 124 HA SER 15 HA SER 15 -15.287 15.138 -5.456 125 HB2 SER 15 2HB SER 15 -12.752 13.582 -6.015 126 HB3 SER 15 3HB SER 15 -14.302 13.395 -6.834 127 HG SER 15 HG SER 15 -12.357 15.351 -7.126 128 H SER 16 H SER 16 -12.983 14.067 -3.102 129 HA SER 16 HA SER 16 -14.455 11.632 -2.509 130 HB2 SER 16 2HB SER 16 -11.808 12.714 -1.872 131 HB3 SER 16 3HB SER 16 -12.585 11.920 -0.503 132 HG SER 16 HG SER 16 -11.273 10.649 -2.174 133 H GLU 17 H GLU 17 -13.995 14.852 -1.219 134 HA GLU 17 HA GLU 17 -15.448 14.252 1.218 135 HB2 GLU 17 2HB GLU 17 -14.506 16.932 0.187 136 HB3 GLU 17 3HB GLU 17 -15.035 16.561 1.822 137 HG2 GLU 17 2HG GLU 17 -12.969 14.759 1.262 138 HG3 GLU 17 3HG GLU 17 -12.431 16.322 0.651 Start of MODEL 16 1 H1 ARG 1 H ARG 1 5.469 0.612 -1.298 2 HA ARG 1 HA ARG 1 3.487 0.201 -2.587 3 HB2 ARG 1 2HB ARG 1 2.430 0.034 0.106 4 HB3 ARG 1 3HB ARG 1 1.407 1.036 -0.915 5 HG2 ARG 1 2HG ARG 1 0.465 -0.860 -1.586 6 HG3 ARG 1 3HG ARG 1 1.942 -1.141 -2.510 7 HD2 ARG 1 2HD ARG 1 2.806 -2.121 -0.238 8 HD3 ARG 1 3HD ARG 1 1.086 -2.291 0.106 9 HE ARG 1 HE ARG 1 1.431 -3.394 -2.379 10 HH11 ARG 1 1HH1 ARG 1 2.754 -3.931 0.797 11 HH12 ARG 1 2HH1 ARG 1 3.022 -5.624 0.541 12 HH21 ARG 1 1HH2 ARG 1 1.779 -5.622 -2.727 13 HH22 ARG 1 2HH2 ARG 1 2.468 -6.584 -1.464 14 H SER 2 H SER 2 4.279 2.000 -3.682 15 HA SER 2 HA SER 2 3.678 4.657 -2.666 16 HB2 SER 2 2HB SER 2 4.683 4.858 -5.289 17 HB3 SER 2 3HB SER 2 5.562 5.128 -3.785 18 HG SER 2 HG SER 2 6.460 3.503 -5.248 19 H LYS 3 H LYS 3 2.533 2.407 -5.071 20 HA LYS 3 HA LYS 3 0.926 4.286 -6.507 21 HB2 LYS 3 2HB LYS 3 0.986 1.272 -6.414 22 HB3 LYS 3 3HB LYS 3 -0.159 2.163 -7.408 23 HG2 LYS 3 2HG LYS 3 1.795 3.276 -8.506 24 HG3 LYS 3 3HG LYS 3 2.841 2.159 -7.626 25 HD2 LYS 3 2HD LYS 3 0.657 0.810 -8.998 26 HD3 LYS 3 3HD LYS 3 1.695 1.717 -10.100 27 HE2 LYS 3 2HE LYS 3 3.484 0.376 -9.730 28 HE3 LYS 3 3HE LYS 3 3.060 0.095 -8.042 29 HZ1 LYS 3 3HZ LYS 3 1.191 -1.321 -8.949 30 HZ2 LYS 3 1HZ LYS 3 2.754 -1.945 -9.117 31 HZ3 LYS 3 2HZ LYS 3 1.975 -1.246 -10.446 32 H ASP 4 H ASP 4 0.476 2.260 -3.709 33 HA ASP 4 HA ASP 4 -2.367 2.371 -3.650 34 HB2 ASP 4 2HB ASP 4 -0.299 1.151 -2.123 35 HB3 ASP 4 3HB ASP 4 -1.310 2.071 -1.013 36 H LEU 5 H LEU 5 0.188 4.434 -2.453 37 HA LEU 5 HA LEU 5 -1.498 6.012 -0.761 38 HB2 LEU 5 2HB LEU 5 1.261 6.460 -1.878 39 HB3 LEU 5 3HB LEU 5 0.460 7.591 -0.789 40 HG LEU 5 HG LEU 5 1.086 4.726 -0.086 41 HD11 LEU 5 1HD1 LEU 5 3.118 5.309 0.672 42 HD12 LEU 5 2HD1 LEU 5 2.580 6.902 1.204 43 HD13 LEU 5 3HD1 LEU 5 2.970 6.625 -0.494 44 HD21 LEU 5 3HD2 LEU 5 -0.700 6.457 1.062 45 HD22 LEU 5 1HD2 LEU 5 0.755 6.714 2.026 46 HD23 LEU 5 2HD2 LEU 5 0.073 5.094 1.873 47 H ARG 6 H ARG 6 -0.599 6.059 -4.115 48 HA ARG 6 HA ARG 6 -1.107 8.711 -4.781 49 HB2 ARG 6 2HB ARG 6 -0.108 7.185 -6.371 50 HB3 ARG 6 3HB ARG 6 -1.562 6.197 -6.393 51 HG2 ARG 6 2HG ARG 6 -2.711 7.666 -7.714 52 HG3 ARG 6 3HG ARG 6 -1.784 9.060 -7.158 53 HD2 ARG 6 2HD ARG 6 0.152 8.284 -8.429 54 HD3 ARG 6 3HD ARG 6 -0.761 6.876 -8.969 55 HE ARG 6 HE ARG 6 -0.931 9.550 -10.000 56 HH11 ARG 6 1HH1 ARG 6 -2.620 6.532 -9.595 57 HH12 ARG 6 2HH1 ARG 6 -3.682 6.797 -10.938 58 HH21 ARG 6 1HH2 ARG 6 -2.324 9.909 -11.770 59 HH22 ARG 6 2HH2 ARG 6 -3.513 8.718 -12.175 60 H HIS 7 H HIS 7 -3.310 6.073 -4.147 61 HA HIS 7 HA HIS 7 -5.631 7.401 -5.176 62 HB2 HIS 7 2HB HIS 7 -5.090 4.818 -4.587 63 HB3 HIS 7 3HB HIS 7 -5.979 5.282 -3.139 64 HD1 HIS 7 HD1 HIS 7 -6.815 3.412 -5.739 65 HD2 HIS 7 HD2 HIS 7 -8.285 7.128 -4.601 66 HE1 HIS 7 HE1 HIS 7 -9.095 3.583 -6.786 67 H ALA 8 H ALA 8 -3.842 7.560 -2.269 68 HA ALA 8 HA ALA 8 -5.978 8.413 -0.560 69 HB1 ALA 8 1HB ALA 8 -4.474 8.058 1.032 70 HB2 ALA 8 2HB ALA 8 -3.305 7.634 -0.220 71 HB3 ALA 8 3HB ALA 8 -3.410 9.295 0.363 72 H PHE 9 H PHE 9 -3.909 9.938 -2.857 73 HA PHE 9 HA PHE 9 -3.950 12.573 -1.859 74 HB2 PHE 9 2HB PHE 9 -3.162 11.232 -4.327 75 HB3 PHE 9 3HB PHE 9 -3.834 12.833 -4.617 76 HD1 PHE 9 HD1 PHE 9 -1.105 10.945 -3.085 77 HD2 PHE 9 HD2 PHE 9 -2.708 14.817 -3.833 78 HE1 PHE 9 HE1 PHE 9 1.050 11.955 -2.458 79 HE2 PHE 9 HE2 PHE 9 -0.556 15.832 -3.208 80 HZ PHE 9 HZ PHE 9 1.327 14.401 -2.521 81 H ARG 10 H ARG 10 -6.293 10.680 -3.568 82 HA ARG 10 HA ARG 10 -7.877 12.849 -4.524 83 HB2 ARG 10 2HB ARG 10 -8.793 10.023 -3.983 84 HB3 ARG 10 3HB ARG 10 -9.519 11.187 -5.083 85 HG2 ARG 10 2HG ARG 10 -7.307 11.131 -6.342 86 HG3 ARG 10 3HG ARG 10 -6.936 9.697 -5.382 87 HD2 ARG 10 2HD ARG 10 -8.200 8.426 -6.695 88 HD3 ARG 10 3HD ARG 10 -9.584 9.496 -6.470 89 HE ARG 10 HE ARG 10 -9.134 10.462 -8.503 90 HH11 ARG 10 1HH1 ARG 10 -6.426 8.509 -7.518 91 HH12 ARG 10 2HH1 ARG 10 -5.617 8.628 -9.046 92 HH21 ARG 10 1HH2 ARG 10 -8.079 10.626 -10.519 93 HH22 ARG 10 2HH2 ARG 10 -6.558 9.833 -10.752 94 H SEP 11 H SEP 11 -7.618 11.117 -1.494 95 HA SEP 11 HA SEP 11 -10.217 11.772 -0.469 96 HB2 SEP 11 2HB SEP 11 -9.270 10.100 0.895 97 HB3 SEP 11 3HB SEP 11 -7.636 10.677 0.681 98 H MET 12 H MET 12 -7.184 13.485 -0.574 99 HA MET 12 HA MET 12 -7.998 15.652 1.089 100 HB2 MET 12 2HB MET 12 -5.624 14.824 -0.216 101 HB3 MET 12 3HB MET 12 -5.975 16.454 -0.773 102 HG2 MET 12 2HG MET 12 -5.238 17.311 1.123 103 HG3 MET 12 3HG MET 12 -6.357 16.318 2.053 104 HE1 MET 12 3HE MET 12 -3.164 16.816 0.382 105 HE2 MET 12 1HE MET 12 -2.340 16.829 1.941 106 HE3 MET 12 2HE MET 12 -2.092 15.486 0.825 107 H PHE 13 H PHE 13 -8.410 14.861 -2.255 108 HA PHE 13 HA PHE 13 -8.966 17.508 -3.171 109 HB2 PHE 13 2HB PHE 13 -9.043 14.782 -4.292 110 HB3 PHE 13 3HB PHE 13 -10.204 15.905 -4.992 111 HD1 PHE 13 HD2 PHE 13 -6.617 15.954 -3.948 112 HD2 PHE 13 HD1 PHE 13 -9.518 16.974 -6.891 113 HE1 PHE 13 HE2 PHE 13 -4.842 16.897 -5.366 114 HE2 PHE 13 HE1 PHE 13 -7.747 17.918 -8.314 115 HZ PHE 13 HZ PHE 13 -5.405 17.881 -7.552 116 HA PRO 14 HA PRO 14 -13.204 17.962 -2.110 117 HB2 PRO 14 2HB PRO 14 -14.203 19.275 -4.261 118 HB3 PRO 14 3HB PRO 14 -13.097 20.031 -3.108 119 HG2 PRO 14 2HG PRO 14 -12.546 18.934 -5.821 120 HG3 PRO 14 3HG PRO 14 -11.841 20.346 -5.014 121 HD2 PRO 14 2HD PRO 14 -10.591 17.942 -5.251 122 HD3 PRO 14 3HD PRO 14 -10.235 19.153 -4.003 123 H SER 15 H SER 15 -12.374 16.185 -4.940 124 HA SER 15 HA SER 15 -14.994 15.426 -5.743 125 HB2 SER 15 2HB SER 15 -12.220 14.587 -6.398 126 HB3 SER 15 3HB SER 15 -13.500 13.418 -6.726 127 HG SER 15 HG SER 15 -13.990 14.556 -8.408 128 H SER 16 H SER 16 -12.791 14.300 -3.318 129 HA SER 16 HA SER 16 -14.115 11.763 -2.942 130 HB2 SER 16 2HB SER 16 -12.593 11.561 -0.973 131 HB3 SER 16 3HB SER 16 -11.739 11.889 -2.481 132 HG SER 16 HG SER 16 -11.567 13.246 -0.262 133 H GLU 17 H GLU 17 -14.261 14.973 -1.592 134 HA GLU 17 HA GLU 17 -15.937 14.127 0.627 135 HB2 GLU 17 2HB GLU 17 -14.273 16.376 0.066 136 HB3 GLU 17 3HB GLU 17 -15.905 16.960 0.358 137 HG2 GLU 17 2HG GLU 17 -14.845 16.984 2.444 138 HG3 GLU 17 3HG GLU 17 -15.889 15.563 2.463 Start of MODEL 17 1 H1 ARG 1 H ARG 1 1.435 0.241 0.815 2 HA ARG 1 HA ARG 1 4.014 0.355 -0.475 3 HB2 ARG 1 2HB ARG 1 1.580 -0.912 -1.008 4 HB3 ARG 1 3HB ARG 1 1.756 0.280 -2.289 5 HG2 ARG 1 2HG ARG 1 3.403 -0.857 -3.283 6 HG3 ARG 1 3HG ARG 1 4.186 -1.252 -1.751 7 HD2 ARG 1 2HD ARG 1 2.866 -3.143 -1.425 8 HD3 ARG 1 3HD ARG 1 1.634 -2.594 -2.561 9 HE ARG 1 HE ARG 1 3.993 -4.093 -3.171 10 HH11 ARG 1 1HH1 ARG 1 1.708 -1.785 -4.425 11 HH12 ARG 1 2HH1 ARG 1 1.978 -2.221 -6.080 12 HH21 ARG 1 1HH2 ARG 1 4.357 -4.676 -5.346 13 HH22 ARG 1 2HH2 ARG 1 3.484 -3.866 -6.602 14 H SER 2 H SER 2 4.245 1.631 -2.534 15 HA SER 2 HA SER 2 3.656 4.397 -1.962 16 HB2 SER 2 2HB SER 2 4.895 4.617 -4.284 17 HB3 SER 2 3HB SER 2 5.795 4.220 -2.821 18 HG SER 2 HG SER 2 4.969 2.504 -4.906 19 H LYS 3 H LYS 3 2.459 1.904 -4.056 20 HA LYS 3 HA LYS 3 1.050 3.693 -5.819 21 HB2 LYS 3 2HB LYS 3 1.899 1.142 -6.091 22 HB3 LYS 3 3HB LYS 3 0.221 0.856 -5.652 23 HG2 LYS 3 2HG LYS 3 -0.576 1.677 -7.601 24 HG3 LYS 3 3HG LYS 3 0.710 2.877 -7.750 25 HD2 LYS 3 2HD LYS 3 1.927 0.338 -7.946 26 HD3 LYS 3 3HD LYS 3 0.495 0.301 -8.977 27 HE2 LYS 3 2HE LYS 3 1.277 2.466 -9.974 28 HE3 LYS 3 3HE LYS 3 2.779 2.265 -9.073 29 HZ1 LYS 3 3HZ LYS 3 3.105 1.431 -11.261 30 HZ2 LYS 3 1HZ LYS 3 1.708 0.479 -11.187 31 HZ3 LYS 3 2HZ LYS 3 3.045 0.097 -10.223 32 H ASP 4 H ASP 4 0.404 2.035 -2.843 33 HA ASP 4 HA ASP 4 -2.444 2.185 -2.981 34 HB2 ASP 4 2HB ASP 4 -0.545 1.005 -1.270 35 HB3 ASP 4 3HB ASP 4 -1.459 2.131 -0.271 36 H LEU 5 H LEU 5 0.096 4.306 -1.873 37 HA LEU 5 HA LEU 5 -1.622 6.077 -0.422 38 HB2 LEU 5 2HB LEU 5 1.191 5.803 -0.949 39 HB3 LEU 5 3HB LEU 5 0.685 7.472 -1.199 40 HG LEU 5 HG LEU 5 1.555 7.010 1.079 41 HD11 LEU 5 1HD1 LEU 5 0.324 8.827 1.440 42 HD12 LEU 5 2HD1 LEU 5 -0.923 7.745 2.059 43 HD13 LEU 5 3HD1 LEU 5 -0.963 8.262 0.373 44 HD21 LEU 5 3HD2 LEU 5 0.116 5.764 2.639 45 HD22 LEU 5 1HD2 LEU 5 0.760 4.738 1.356 46 HD23 LEU 5 2HD2 LEU 5 -0.915 5.289 1.287 47 H ARG 6 H ARG 6 -0.587 5.768 -3.722 48 HA ARG 6 HA ARG 6 -1.007 8.348 -4.672 49 HB2 ARG 6 2HB ARG 6 -0.319 5.945 -5.795 50 HB3 ARG 6 3HB ARG 6 -1.917 6.217 -6.477 51 HG2 ARG 6 2HG ARG 6 -0.646 7.257 -8.047 52 HG3 ARG 6 3HG ARG 6 -0.926 8.613 -6.954 53 HD2 ARG 6 2HD ARG 6 1.249 8.799 -6.523 54 HD3 ARG 6 3HD ARG 6 1.369 7.087 -6.120 55 HE ARG 6 HE ARG 6 1.264 7.507 -8.935 56 HH11 ARG 6 1HH1 ARG 6 3.372 7.632 -6.168 57 HH12 ARG 6 2HH1 ARG 6 4.814 7.357 -7.090 58 HH21 ARG 6 1HH2 ARG 6 3.154 7.145 -10.160 59 HH22 ARG 6 2HH2 ARG 6 4.688 7.081 -9.360 60 H HIS 7 H HIS 7 -3.293 5.828 -3.870 61 HA HIS 7 HA HIS 7 -5.540 7.087 -5.125 62 HB2 HIS 7 2HB HIS 7 -5.003 4.585 -3.937 63 HB3 HIS 7 3HB HIS 7 -6.311 5.303 -3.002 64 HD1 HIS 7 HD1 HIS 7 -8.602 5.237 -4.014 65 HD2 HIS 7 HD2 HIS 7 -5.624 4.297 -6.755 66 HE1 HIS 7 HE1 HIS 7 -9.809 4.458 -6.079 67 H ALA 8 H ALA 8 -3.867 7.507 -2.175 68 HA ALA 8 HA ALA 8 -6.051 8.567 -0.653 69 HB1 ALA 8 1HB ALA 8 -3.080 8.841 -0.206 70 HB2 ALA 8 2HB ALA 8 -4.347 9.221 0.961 71 HB3 ALA 8 3HB ALA 8 -4.106 7.556 0.433 72 H PHE 9 H PHE 9 -3.856 9.814 -3.002 73 HA PHE 9 HA PHE 9 -3.854 12.532 -2.284 74 HB2 PHE 9 2HB PHE 9 -3.136 10.941 -4.648 75 HB3 PHE 9 3HB PHE 9 -3.645 12.586 -5.015 76 HD1 PHE 9 HD2 PHE 9 -2.583 14.347 -3.218 77 HD2 PHE 9 HD1 PHE 9 -0.882 10.646 -4.450 78 HE1 PHE 9 HE2 PHE 9 -0.348 15.175 -2.606 79 HE2 PHE 9 HE1 PHE 9 1.356 11.467 -3.840 80 HZ PHE 9 HZ PHE 9 1.625 13.735 -2.918 81 H ARG 10 H ARG 10 -6.208 10.545 -3.885 82 HA ARG 10 HA ARG 10 -7.721 12.696 -5.013 83 HB2 ARG 10 2HB ARG 10 -7.670 10.149 -5.639 84 HB3 ARG 10 3HB ARG 10 -8.911 10.018 -4.401 85 HG2 ARG 10 2HG ARG 10 -9.607 12.191 -6.071 86 HG3 ARG 10 3HG ARG 10 -9.172 10.831 -7.109 87 HD2 ARG 10 2HD ARG 10 -10.932 10.315 -4.768 88 HD3 ARG 10 3HD ARG 10 -11.624 11.138 -6.165 89 HE ARG 10 HE ARG 10 -10.213 8.839 -6.997 90 HH11 ARG 10 1HH1 ARG 10 -13.143 9.801 -5.382 91 HH12 ARG 10 2HH1 ARG 10 -14.028 8.393 -5.868 92 HH21 ARG 10 1HH2 ARG 10 -11.367 6.981 -7.644 93 HH22 ARG 10 2HH2 ARG 10 -13.016 6.789 -7.154 94 H SEP 11 H SEP 11 -7.594 11.067 -1.918 95 HA SEP 11 HA SEP 11 -10.231 11.854 -1.039 96 HB2 SEP 11 2HB SEP 11 -8.400 10.054 -0.030 97 HB3 SEP 11 3HB SEP 11 -8.014 11.388 1.026 98 H MET 12 H MET 12 -7.083 13.347 -0.978 99 HA MET 12 HA MET 12 -7.763 15.542 0.681 100 HB2 MET 12 2HB MET 12 -5.630 15.468 -1.456 101 HB3 MET 12 3HB MET 12 -5.692 16.530 -0.056 102 HG2 MET 12 2HG MET 12 -5.779 14.044 1.085 103 HG3 MET 12 3HG MET 12 -4.714 13.798 -0.297 104 HE1 MET 12 3HE MET 12 -5.094 14.257 2.971 105 HE2 MET 12 1HE MET 12 -3.402 14.374 3.456 106 HE3 MET 12 2HE MET 12 -4.437 15.800 3.518 107 H PHE 13 H PHE 13 -8.274 14.837 -2.668 108 HA PHE 13 HA PHE 13 -8.653 17.506 -3.571 109 HB2 PHE 13 2HB PHE 13 -8.984 14.801 -4.658 110 HB3 PHE 13 3HB PHE 13 -10.151 15.962 -5.282 111 HD1 PHE 13 HD2 PHE 13 -6.513 16.064 -4.440 112 HD2 PHE 13 HD1 PHE 13 -9.555 16.793 -7.326 113 HE1 PHE 13 HE2 PHE 13 -4.818 16.918 -6.005 114 HE2 PHE 13 HE1 PHE 13 -7.865 17.648 -8.897 115 HZ PHE 13 HZ PHE 13 -5.493 17.712 -8.237 116 HA PRO 14 HA PRO 14 -12.769 18.392 -2.320 117 HB2 PRO 14 2HB PRO 14 -13.741 19.759 -4.452 118 HB3 PRO 14 3HB PRO 14 -12.517 20.424 -3.364 119 HG2 PRO 14 2HG PRO 14 -12.195 19.228 -6.074 120 HG3 PRO 14 3HG PRO 14 -11.333 20.590 -5.336 121 HD2 PRO 14 2HD PRO 14 -10.305 18.078 -5.570 122 HD3 PRO 14 3HD PRO 14 -9.806 19.277 -4.359 123 H SER 15 H SER 15 -12.250 16.478 -5.129 124 HA SER 15 HA SER 15 -14.963 15.973 -5.810 125 HB2 SER 15 2HB SER 15 -14.106 14.707 -7.487 126 HB3 SER 15 3HB SER 15 -12.579 15.455 -7.019 127 HG SER 15 HG SER 15 -12.318 13.228 -7.085 128 H SER 16 H SER 16 -12.791 14.690 -3.435 129 HA SER 16 HA SER 16 -14.354 12.315 -2.934 130 HB2 SER 16 2HB SER 16 -11.771 12.757 -2.556 131 HB3 SER 16 3HB SER 16 -12.328 13.327 -0.982 132 HG SER 16 HG SER 16 -12.967 10.794 -2.093 133 H GLU 17 H GLU 17 -14.035 15.537 -1.605 134 HA GLU 17 HA GLU 17 -15.774 14.912 0.643 135 HB2 GLU 17 2HB GLU 17 -15.276 17.081 1.466 136 HB3 GLU 17 3HB GLU 17 -13.769 16.442 0.825 137 HG2 GLU 17 2HG GLU 17 -13.561 18.276 -0.386 138 HG3 GLU 17 3HG GLU 17 -14.988 17.793 -1.301 Start of MODEL 18 1 H1 ARG 1 H ARG 1 1.202 -0.075 0.624 2 HA ARG 1 HA ARG 1 3.251 -0.291 -0.661 3 HB2 ARG 1 2HB ARG 1 1.620 -1.848 -2.237 4 HB3 ARG 1 3HB ARG 1 1.880 -0.431 -3.246 5 HG2 ARG 1 2HG ARG 1 4.201 -0.759 -3.301 6 HG3 ARG 1 3HG ARG 1 4.154 -1.895 -1.951 7 HD2 ARG 1 2HD ARG 1 2.539 -3.171 -3.673 8 HD3 ARG 1 3HD ARG 1 3.572 -2.317 -4.818 9 HE ARG 1 HE ARG 1 4.285 -4.562 -3.215 10 HH11 ARG 1 1HH1 ARG 1 5.529 -1.655 -4.670 11 HH12 ARG 1 2HH1 ARG 1 7.156 -2.244 -4.769 12 HH21 ARG 1 1HH2 ARG 1 6.423 -5.350 -3.340 13 HH22 ARG 1 2HH2 ARG 1 7.662 -4.347 -4.013 14 H SER 2 H SER 2 3.693 1.102 -2.910 15 HA SER 2 HA SER 2 3.055 3.773 -2.122 16 HB2 SER 2 2HB SER 2 4.989 2.525 -3.766 17 HB3 SER 2 3HB SER 2 4.113 3.661 -4.793 18 HG SER 2 HG SER 2 5.993 4.470 -3.529 19 H LYS 3 H LYS 3 1.753 1.499 -4.396 20 HA LYS 3 HA LYS 3 0.322 3.409 -5.975 21 HB2 LYS 3 2HB LYS 3 -0.079 0.426 -5.678 22 HB3 LYS 3 3HB LYS 3 -0.828 1.435 -6.909 23 HG2 LYS 3 2HG LYS 3 1.140 1.715 -8.070 24 HG3 LYS 3 3HG LYS 3 2.144 1.379 -6.658 25 HD2 LYS 3 2HD LYS 3 2.058 -0.862 -6.966 26 HD3 LYS 3 3HD LYS 3 0.397 -0.823 -7.563 27 HE2 LYS 3 2HE LYS 3 1.054 -0.332 -9.731 28 HE3 LYS 3 3HE LYS 3 2.617 0.304 -9.221 29 HZ1 LYS 3 3HZ LYS 3 2.498 -2.372 -8.447 30 HZ2 LYS 3 1HZ LYS 3 3.491 -1.672 -9.625 31 HZ3 LYS 3 2HZ LYS 3 1.981 -2.299 -10.057 32 H ASP 4 H ASP 4 -0.297 1.642 -3.045 33 HA ASP 4 HA ASP 4 -3.126 1.978 -3.030 34 HB2 ASP 4 2HB ASP 4 -1.188 0.671 -1.421 35 HB3 ASP 4 3HB ASP 4 -2.089 1.760 -0.369 36 H LEU 5 H LEU 5 -0.415 3.900 -1.958 37 HA LEU 5 HA LEU 5 -1.962 5.713 -0.372 38 HB2 LEU 5 2HB LEU 5 0.640 5.158 -0.451 39 HB3 LEU 5 3HB LEU 5 0.636 6.549 -1.534 40 HG LEU 5 HG LEU 5 -0.534 7.808 0.346 41 HD11 LEU 5 1HD1 LEU 5 -1.273 6.057 1.749 42 HD12 LEU 5 2HD1 LEU 5 0.026 6.871 2.621 43 HD13 LEU 5 3HD1 LEU 5 0.334 5.332 1.816 44 HD21 LEU 5 3HD2 LEU 5 1.990 7.762 -0.350 45 HD22 LEU 5 1HD2 LEU 5 2.191 6.951 1.204 46 HD23 LEU 5 2HD2 LEU 5 1.485 8.567 1.137 47 H ARG 6 H ARG 6 -1.078 5.472 -3.722 48 HA ARG 6 HA ARG 6 -1.378 8.108 -4.557 49 HB2 ARG 6 2HB ARG 6 -1.879 5.480 -5.934 50 HB3 ARG 6 3HB ARG 6 -2.135 7.011 -6.760 51 HG2 ARG 6 2HG ARG 6 0.415 7.130 -5.554 52 HG3 ARG 6 3HG ARG 6 0.285 5.571 -6.369 53 HD2 ARG 6 2HD ARG 6 0.148 6.508 -8.435 54 HD3 ARG 6 3HD ARG 6 -0.689 7.944 -7.846 55 HE ARG 6 HE ARG 6 1.939 7.983 -6.881 56 HH11 ARG 6 1HH1 ARG 6 0.205 8.250 -9.888 57 HH12 ARG 6 2HH1 ARG 6 1.398 9.260 -10.636 58 HH21 ARG 6 1HH2 ARG 6 3.516 9.313 -7.855 59 HH22 ARG 6 2HH2 ARG 6 3.281 9.863 -9.479 60 H HIS 7 H HIS 7 -3.779 5.699 -3.756 61 HA HIS 7 HA HIS 7 -5.993 7.138 -4.869 62 HB2 HIS 7 2HB HIS 7 -5.672 4.567 -4.150 63 HB3 HIS 7 3HB HIS 7 -6.463 5.171 -2.697 64 HD1 HIS 7 HD1 HIS 7 -7.086 5.510 -6.446 65 HD2 HIS 7 HD2 HIS 7 -9.131 4.870 -2.887 66 HE1 HIS 7 HE1 HIS 7 -9.501 5.249 -7.096 67 H ALA 8 H ALA 8 -4.183 7.341 -1.977 68 HA ALA 8 HA ALA 8 -6.237 8.468 -0.327 69 HB1 ALA 8 1HB ALA 8 -4.757 7.997 1.253 70 HB2 ALA 8 2HB ALA 8 -3.566 7.574 0.022 71 HB3 ALA 8 3HB ALA 8 -3.673 9.232 0.611 72 H PHE 9 H PHE 9 -4.065 9.674 -2.718 73 HA PHE 9 HA PHE 9 -3.914 12.368 -1.884 74 HB2 PHE 9 2HB PHE 9 -2.824 10.861 -3.936 75 HB3 PHE 9 3HB PHE 9 -3.872 11.997 -4.779 76 HD1 PHE 9 HD1 PHE 9 -1.476 12.096 -1.915 77 HD2 PHE 9 HD2 PHE 9 -2.844 13.898 -5.520 78 HE1 PHE 9 HE1 PHE 9 0.246 13.839 -1.693 79 HE2 PHE 9 HE2 PHE 9 -1.124 15.644 -5.304 80 HZ PHE 9 HZ PHE 9 0.425 15.616 -3.389 81 H ARG 10 H ARG 10 -6.363 10.538 -3.511 82 HA ARG 10 HA ARG 10 -7.769 12.767 -4.617 83 HB2 ARG 10 2HB ARG 10 -7.967 9.927 -4.702 84 HB3 ARG 10 3HB ARG 10 -9.525 10.563 -4.191 85 HG2 ARG 10 2HG ARG 10 -9.271 12.170 -6.193 86 HG3 ARG 10 3HG ARG 10 -8.048 11.025 -6.748 87 HD2 ARG 10 2HD ARG 10 -9.582 9.331 -7.057 88 HD3 ARG 10 3HD ARG 10 -10.723 10.013 -5.899 89 HE ARG 10 HE ARG 10 -10.413 11.722 -8.141 90 HH11 ARG 10 1HH1 ARG 10 -11.909 8.748 -7.124 91 HH12 ARG 10 2HH1 ARG 10 -13.197 8.850 -8.278 92 HH21 ARG 10 1HH2 ARG 10 -12.104 11.867 -9.665 93 HH22 ARG 10 2HH2 ARG 10 -13.307 10.624 -9.723 94 H SEP 11 H SEP 11 -7.692 11.150 -1.517 95 HA SEP 11 HA SEP 11 -10.273 12.014 -0.593 96 HB2 SEP 11 2HB SEP 11 -9.043 10.150 0.558 97 HB3 SEP 11 3HB SEP 11 -7.735 11.214 1.009 98 H MET 12 H MET 12 -7.120 13.497 -0.660 99 HA MET 12 HA MET 12 -7.819 15.772 0.909 100 HB2 MET 12 2HB MET 12 -5.467 14.724 0.016 101 HB3 MET 12 3HB MET 12 -5.660 16.094 -1.070 102 HG2 MET 12 2HG MET 12 -5.066 17.529 0.507 103 HG3 MET 12 3HG MET 12 -6.219 16.848 1.652 104 HE1 MET 12 3HE MET 12 -4.343 17.980 3.021 105 HE2 MET 12 1HE MET 12 -4.603 16.617 4.110 106 HE3 MET 12 2HE MET 12 -2.964 17.085 3.660 107 H PHE 13 H PHE 13 -8.193 14.902 -2.420 108 HA PHE 13 HA PHE 13 -8.536 17.558 -3.423 109 HB2 PHE 13 2HB PHE 13 -8.700 14.819 -4.483 110 HB3 PHE 13 3HB PHE 13 -9.812 15.956 -5.239 111 HD1 PHE 13 HD2 PHE 13 -6.258 15.999 -4.087 112 HD2 PHE 13 HD1 PHE 13 -9.046 16.883 -7.180 113 HE1 PHE 13 HE2 PHE 13 -4.426 16.851 -5.490 114 HE2 PHE 13 HE1 PHE 13 -7.217 17.736 -8.588 115 HZ PHE 13 HZ PHE 13 -4.904 17.722 -7.743 116 HA PRO 14 HA PRO 14 -12.777 18.290 -2.542 117 HB2 PRO 14 2HB PRO 14 -13.606 19.608 -4.765 118 HB3 PRO 14 3HB PRO 14 -12.512 20.325 -3.576 119 HG2 PRO 14 2HG PRO 14 -11.905 19.146 -6.241 120 HG3 PRO 14 3HG PRO 14 -11.148 20.524 -5.421 121 HD2 PRO 14 2HD PRO 14 -10.044 18.035 -5.572 122 HD3 PRO 14 3HD PRO 14 -9.674 19.260 -4.341 123 H SER 15 H SER 15 -11.949 16.402 -5.300 124 HA SER 15 HA SER 15 -14.577 15.785 -6.191 125 HB2 SER 15 2HB SER 15 -13.403 13.831 -7.319 126 HB3 SER 15 3HB SER 15 -12.797 15.433 -7.737 127 HG SER 15 HG SER 15 -11.321 13.531 -6.988 128 H SER 16 H SER 16 -12.542 14.584 -3.657 129 HA SER 16 HA SER 16 -13.899 12.094 -3.290 130 HB2 SER 16 2HB SER 16 -11.746 13.592 -1.939 131 HB3 SER 16 3HB SER 16 -12.712 12.564 -0.881 132 HG SER 16 HG SER 16 -11.820 10.871 -1.747 133 H GLU 17 H GLU 17 -14.323 15.351 -2.122 134 HA GLU 17 HA GLU 17 -16.274 14.532 -0.126 135 HB2 GLU 17 2HB GLU 17 -15.183 17.228 -0.933 136 HB3 GLU 17 3HB GLU 17 -16.451 17.023 0.267 137 HG2 GLU 17 2HG GLU 17 -14.707 15.382 1.349 138 HG3 GLU 17 3HG GLU 17 -13.562 16.353 0.425 Start of MODEL 19 1 H1 ARG 1 H ARG 1 1.624 0.939 1.133 2 HA ARG 1 HA ARG 1 3.828 0.159 -0.655 3 HB2 ARG 1 2HB ARG 1 1.055 -0.613 -0.808 4 HB3 ARG 1 3HB ARG 1 1.497 0.333 -2.223 5 HG2 ARG 1 2HG ARG 1 2.579 -1.384 -3.107 6 HG3 ARG 1 3HG ARG 1 3.537 -1.603 -1.642 7 HD2 ARG 1 2HD ARG 1 1.858 -2.989 -0.664 8 HD3 ARG 1 3HD ARG 1 0.717 -2.610 -1.954 9 HE ARG 1 HE ARG 1 2.993 -3.775 -3.093 10 HH11 ARG 1 1HH1 ARG 1 0.325 -4.622 -1.023 11 HH12 ARG 1 2HH1 ARG 1 0.309 -6.286 -1.506 12 HH21 ARG 1 1HH2 ARG 1 2.981 -5.963 -3.738 13 HH22 ARG 1 2HH2 ARG 1 1.821 -7.048 -3.049 14 H SER 2 H SER 2 4.006 1.512 -2.595 15 HA SER 2 HA SER 2 3.531 4.299 -1.916 16 HB2 SER 2 2HB SER 2 4.830 3.710 -4.489 17 HB3 SER 2 3HB SER 2 5.353 4.764 -3.175 18 HG SER 2 HG SER 2 6.789 3.105 -3.209 19 H LYS 3 H LYS 3 2.417 1.884 -4.162 20 HA LYS 3 HA LYS 3 1.111 3.726 -5.932 21 HB2 LYS 3 2HB LYS 3 0.650 0.755 -5.618 22 HB3 LYS 3 3HB LYS 3 0.169 1.751 -6.986 23 HG2 LYS 3 2HG LYS 3 2.639 2.252 -7.296 24 HG3 LYS 3 3HG LYS 3 2.936 0.936 -6.158 25 HD2 LYS 3 2HD LYS 3 2.478 -0.632 -7.690 26 HD3 LYS 3 3HD LYS 3 1.051 0.230 -8.271 27 HE2 LYS 3 2HE LYS 3 2.327 1.557 -9.740 28 HE3 LYS 3 3HE LYS 3 3.842 1.110 -8.956 29 HZ1 LYS 3 3HZ LYS 3 3.729 -1.048 -9.862 30 HZ2 LYS 3 1HZ LYS 3 3.373 0.002 -11.140 31 HZ3 LYS 3 2HZ LYS 3 2.129 -0.849 -10.373 32 H ASP 4 H ASP 4 0.241 1.933 -3.066 33 HA ASP 4 HA ASP 4 -2.577 2.250 -3.315 34 HB2 ASP 4 2HB ASP 4 -0.732 1.070 -1.436 35 HB3 ASP 4 3HB ASP 4 -1.953 2.009 -0.582 36 H LEU 5 H LEU 5 -0.005 4.252 -2.131 37 HA LEU 5 HA LEU 5 -1.656 6.010 -0.590 38 HB2 LEU 5 2HB LEU 5 1.167 5.835 -1.375 39 HB3 LEU 5 3HB LEU 5 0.560 7.477 -1.172 40 HG LEU 5 HG LEU 5 -0.110 6.935 1.126 41 HD11 LEU 5 1HD1 LEU 5 0.469 4.239 0.222 42 HD12 LEU 5 2HD1 LEU 5 -0.473 4.792 1.607 43 HD13 LEU 5 3HD1 LEU 5 1.278 4.630 1.740 44 HD21 LEU 5 3HD2 LEU 5 2.216 7.762 0.444 45 HD22 LEU 5 1HD2 LEU 5 2.755 6.115 0.776 46 HD23 LEU 5 2HD2 LEU 5 2.027 7.080 2.061 47 H ARG 6 H ARG 6 -0.691 5.787 -3.919 48 HA ARG 6 HA ARG 6 -1.074 8.405 -4.777 49 HB2 ARG 6 2HB ARG 6 -0.183 6.411 -6.097 50 HB3 ARG 6 3HB ARG 6 -1.864 5.984 -6.388 51 HG2 ARG 6 2HG ARG 6 -1.509 7.198 -8.257 52 HG3 ARG 6 3HG ARG 6 -1.949 8.525 -7.181 53 HD2 ARG 6 2HD ARG 6 -0.011 9.438 -7.841 54 HD3 ARG 6 3HD ARG 6 0.727 8.297 -6.718 55 HE ARG 6 HE ARG 6 1.554 7.121 -8.503 56 HH11 ARG 6 1HH1 ARG 6 -0.882 9.345 -9.616 57 HH12 ARG 6 2HH1 ARG 6 -0.551 9.072 -11.294 58 HH21 ARG 6 1HH2 ARG 6 1.999 6.752 -10.710 59 HH22 ARG 6 2HH2 ARG 6 1.088 7.596 -11.915 60 H HIS 7 H HIS 7 -3.398 5.909 -4.012 61 HA HIS 7 HA HIS 7 -5.640 7.255 -5.181 62 HB2 HIS 7 2HB HIS 7 -5.605 5.054 -3.106 63 HB3 HIS 7 3HB HIS 7 -6.990 5.548 -4.076 64 HD1 HIS 7 HD1 HIS 7 -4.528 3.014 -3.961 65 HD2 HIS 7 HD2 HIS 7 -6.252 5.235 -7.021 66 HE1 HIS 7 HE1 HIS 7 -4.115 1.697 -6.063 67 H ALA 8 H ALA 8 -3.903 7.543 -2.252 68 HA ALA 8 HA ALA 8 -6.034 8.599 -0.654 69 HB1 ALA 8 1HB ALA 8 -3.672 7.547 -0.009 70 HB2 ALA 8 2HB ALA 8 -3.225 9.253 0.015 71 HB3 ALA 8 3HB ALA 8 -4.532 8.670 1.045 72 H PHE 9 H PHE 9 -3.859 9.875 -3.004 73 HA PHE 9 HA PHE 9 -3.764 12.564 -2.205 74 HB2 PHE 9 2HB PHE 9 -2.926 11.020 -4.450 75 HB3 PHE 9 3HB PHE 9 -3.789 12.431 -5.053 76 HD1 PHE 9 HD1 PHE 9 -1.246 11.613 -2.444 77 HD2 PHE 9 HD2 PHE 9 -2.539 14.299 -5.482 78 HE1 PHE 9 HE1 PHE 9 0.759 12.990 -2.075 79 HE2 PHE 9 HE2 PHE 9 -0.536 15.680 -5.119 80 HZ PHE 9 HZ PHE 9 1.117 15.025 -3.414 81 H ARG 10 H ARG 10 -6.248 10.696 -3.736 82 HA ARG 10 HA ARG 10 -7.736 12.915 -4.761 83 HB2 ARG 10 2HB ARG 10 -8.310 9.994 -4.366 84 HB3 ARG 10 3HB ARG 10 -9.597 11.104 -4.820 85 HG2 ARG 10 2HG ARG 10 -7.079 11.091 -6.408 86 HG3 ARG 10 3HG ARG 10 -8.251 9.792 -6.635 87 HD2 ARG 10 2HD ARG 10 -9.449 12.454 -6.584 88 HD3 ARG 10 3HD ARG 10 -8.293 12.229 -7.896 89 HE ARG 10 HE ARG 10 -9.875 10.004 -7.983 90 HH11 ARG 10 1HH1 ARG 10 -10.435 13.438 -8.100 91 HH12 ARG 10 2HH1 ARG 10 -11.849 13.306 -9.093 92 HH21 ARG 10 1HH2 ARG 10 -11.735 9.817 -9.291 93 HH22 ARG 10 2HH2 ARG 10 -12.588 11.246 -9.769 94 H SEP 11 H SEP 11 -7.524 11.227 -1.701 95 HA SEP 11 HA SEP 11 -10.075 11.949 -0.646 96 HB2 SEP 11 2HB SEP 11 -8.594 10.213 0.445 97 HB3 SEP 11 3HB SEP 11 -7.410 11.424 0.866 98 H MET 12 H MET 12 -7.063 13.685 -0.900 99 HA MET 12 HA MET 12 -7.764 15.900 0.708 100 HB2 MET 12 2HB MET 12 -5.446 15.252 -0.118 101 HB3 MET 12 3HB MET 12 -5.894 15.976 -1.657 102 HG2 MET 12 2HG MET 12 -5.426 18.004 -0.911 103 HG3 MET 12 3HG MET 12 -6.466 17.785 0.494 104 HE1 MET 12 3HE MET 12 -5.823 18.422 2.302 105 HE2 MET 12 1HE MET 12 -4.792 17.390 3.294 106 HE3 MET 12 2HE MET 12 -4.184 18.938 2.706 107 H PHE 13 H PHE 13 -8.556 14.996 -2.540 108 HA PHE 13 HA PHE 13 -9.366 17.627 -3.371 109 HB2 PHE 13 2HB PHE 13 -9.159 14.971 -4.577 110 HB3 PHE 13 3HB PHE 13 -10.586 15.856 -5.104 111 HD1 PHE 13 HD2 PHE 13 -7.036 16.767 -4.386 112 HD2 PHE 13 HD1 PHE 13 -10.286 16.865 -7.132 113 HE1 PHE 13 HE2 PHE 13 -5.653 18.043 -5.971 114 HE2 PHE 13 HE1 PHE 13 -8.909 18.141 -8.722 115 HZ PHE 13 HZ PHE 13 -6.589 18.732 -8.142 116 HA PRO 14 HA PRO 14 -13.539 17.624 -1.998 117 HB2 PRO 14 2HB PRO 14 -14.814 18.893 -4.028 118 HB3 PRO 14 3HB PRO 14 -13.708 19.721 -2.926 119 HG2 PRO 14 2HG PRO 14 -13.251 18.774 -5.711 120 HG3 PRO 14 3HG PRO 14 -12.620 20.215 -4.893 121 HD2 PRO 14 2HD PRO 14 -11.183 17.944 -5.320 122 HD3 PRO 14 3HD PRO 14 -10.841 19.150 -4.064 123 H SER 15 H SER 15 -12.754 16.026 -4.948 124 HA SER 15 HA SER 15 -15.340 15.032 -5.586 125 HB2 SER 15 2HB SER 15 -13.071 13.357 -6.409 126 HB3 SER 15 3HB SER 15 -14.317 14.129 -7.389 127 HG SER 15 HG SER 15 -12.163 14.958 -7.726 128 H SER 16 H SER 16 -12.733 13.926 -3.527 129 HA SER 16 HA SER 16 -14.050 11.380 -3.024 130 HB2 SER 16 2HB SER 16 -11.473 12.557 -1.958 131 HB3 SER 16 3HB SER 16 -12.077 10.951 -1.550 132 HG SER 16 HG SER 16 -11.477 10.241 -3.446 133 H GLU 17 H GLU 17 -13.571 14.487 -1.512 134 HA GLU 17 HA GLU 17 -14.599 13.609 1.048 135 HB2 GLU 17 2HB GLU 17 -13.151 15.879 0.057 136 HB3 GLU 17 3HB GLU 17 -14.588 16.434 0.903 137 HG2 GLU 17 2HG GLU 17 -13.486 14.438 2.520 138 HG3 GLU 17 3HG GLU 17 -12.127 15.412 1.962 Start of MODEL 20 1 H1 ARG 1 H ARG 1 5.648 0.148 -1.689 2 HA ARG 1 HA ARG 1 4.145 0.298 -3.439 3 HB2 ARG 1 2HB ARG 1 1.765 0.192 -2.507 4 HB3 ARG 1 3HB ARG 1 2.889 -1.055 -1.984 5 HG2 ARG 1 2HG ARG 1 3.204 0.030 0.130 6 HG3 ARG 1 3HG ARG 1 2.250 1.419 -0.395 7 HD2 ARG 1 2HD ARG 1 0.334 -0.219 -0.724 8 HD3 ARG 1 3HD ARG 1 1.315 -1.383 0.166 9 HE ARG 1 HE ARG 1 -0.127 0.846 1.246 10 HH11 ARG 1 1HH1 ARG 1 2.601 -1.268 1.707 11 HH12 ARG 1 2HH1 ARG 1 2.651 -1.042 3.424 12 HH21 ARG 1 1HH2 ARG 1 -0.071 1.151 3.506 13 HH22 ARG 1 2HH2 ARG 1 1.131 0.333 4.446 14 H SER 2 H SER 2 4.794 2.362 -4.265 15 HA SER 2 HA SER 2 3.474 4.754 -3.378 16 HB2 SER 2 2HB SER 2 5.772 4.209 -4.836 17 HB3 SER 2 3HB SER 2 4.677 4.900 -6.033 18 HG SER 2 HG SER 2 4.334 6.607 -4.398 19 H LYS 3 H LYS 3 2.906 2.311 -5.771 20 HA LYS 3 HA LYS 3 1.124 3.805 -7.412 21 HB2 LYS 3 2HB LYS 3 0.529 1.658 -8.393 22 HB3 LYS 3 3HB LYS 3 2.273 1.773 -8.199 23 HG2 LYS 3 2HG LYS 3 2.170 -0.217 -7.225 24 HG3 LYS 3 3HG LYS 3 1.429 0.598 -5.846 25 HD2 LYS 3 2HD LYS 3 -0.332 -0.734 -6.176 26 HD3 LYS 3 3HD LYS 3 -0.675 0.245 -7.604 27 HE2 LYS 3 2HE LYS 3 1.240 -2.052 -7.755 28 HE3 LYS 3 3HE LYS 3 -0.499 -2.332 -7.838 29 HZ1 LYS 3 3HZ LYS 3 -0.363 -0.470 -9.637 30 HZ2 LYS 3 1HZ LYS 3 0.014 -2.071 -10.034 31 HZ3 LYS 3 2HZ LYS 3 1.253 -0.957 -9.747 32 H ASP 4 H ASP 4 0.769 1.928 -4.491 33 HA ASP 4 HA ASP 4 -2.111 1.854 -4.625 34 HB2 ASP 4 2HB ASP 4 -0.140 0.466 -3.192 35 HB3 ASP 4 3HB ASP 4 -1.041 1.374 -1.981 36 H LEU 5 H LEU 5 0.350 3.840 -3.129 37 HA LEU 5 HA LEU 5 -1.447 5.254 -1.407 38 HB2 LEU 5 2HB LEU 5 1.030 4.977 -1.059 39 HB3 LEU 5 3HB LEU 5 1.267 6.149 -2.354 40 HG LEU 5 HG LEU 5 -0.385 7.531 -0.702 41 HD11 LEU 5 1HD1 LEU 5 0.274 5.367 0.847 42 HD12 LEU 5 2HD1 LEU 5 -0.271 6.933 1.445 43 HD13 LEU 5 3HD1 LEU 5 1.454 6.579 1.348 44 HD21 LEU 5 3HD2 LEU 5 1.629 8.723 0.015 45 HD22 LEU 5 1HD2 LEU 5 1.676 8.349 -1.708 46 HD23 LEU 5 2HD2 LEU 5 2.626 7.391 -0.573 47 H ARG 6 H ARG 6 -0.367 5.592 -4.691 48 HA ARG 6 HA ARG 6 -0.876 8.286 -5.159 49 HB2 ARG 6 2HB ARG 6 0.074 6.363 -6.699 50 HB3 ARG 6 3HB ARG 6 -1.596 6.268 -7.240 51 HG2 ARG 6 2HG ARG 6 -1.290 8.879 -7.493 52 HG3 ARG 6 3HG ARG 6 0.408 8.418 -7.629 53 HD2 ARG 6 2HD ARG 6 0.035 7.149 -9.548 54 HD3 ARG 6 3HD ARG 6 -1.696 7.026 -9.242 55 HE ARG 6 HE ARG 6 -0.323 9.153 -10.599 56 HH11 ARG 6 1HH1 ARG 6 -3.165 8.279 -8.788 57 HH12 ARG 6 2HH1 ARG 6 -4.138 9.549 -9.452 58 HH21 ARG 6 1HH2 ARG 6 -1.594 10.829 -11.481 59 HH22 ARG 6 2HH2 ARG 6 -3.244 10.998 -10.985 60 H HIS 7 H HIS 7 -3.072 5.583 -4.872 61 HA HIS 7 HA HIS 7 -5.352 6.971 -5.913 62 HB2 HIS 7 2HB HIS 7 -4.796 4.347 -5.484 63 HB3 HIS 7 3HB HIS 7 -5.810 4.695 -4.087 64 HD1 HIS 7 HD1 HIS 7 -8.291 4.889 -4.478 65 HD2 HIS 7 HD2 HIS 7 -6.110 4.738 -8.011 66 HE1 HIS 7 HE1 HIS 7 -9.996 4.638 -6.310 67 H ALA 8 H ALA 8 -3.727 6.900 -2.908 68 HA ALA 8 HA ALA 8 -5.965 7.585 -1.255 69 HB1 ALA 8 1HB ALA 8 -3.430 6.676 -0.768 70 HB2 ALA 8 2HB ALA 8 -3.335 8.360 -0.253 71 HB3 ALA 8 3HB ALA 8 -4.548 7.291 0.450 72 H PHE 9 H PHE 9 -3.796 9.319 -3.298 73 HA PHE 9 HA PHE 9 -3.902 11.857 -2.094 74 HB2 PHE 9 2HB PHE 9 -3.236 10.811 -4.798 75 HB3 PHE 9 3HB PHE 9 -3.589 12.531 -4.664 76 HD1 PHE 9 HD1 PHE 9 -1.692 10.036 -2.631 77 HD2 PHE 9 HD2 PHE 9 -1.710 13.827 -4.566 78 HE1 PHE 9 HE1 PHE 9 0.607 10.441 -1.852 79 HE2 PHE 9 HE2 PHE 9 0.589 14.238 -3.791 80 HZ PHE 9 HZ PHE 9 1.751 12.543 -2.433 81 H ARG 10 H ARG 10 -6.181 10.107 -4.031 82 HA ARG 10 HA ARG 10 -7.750 12.327 -4.866 83 HB2 ARG 10 2HB ARG 10 -7.883 9.420 -5.036 84 HB3 ARG 10 3HB ARG 10 -9.464 10.147 -4.782 85 HG2 ARG 10 2HG ARG 10 -8.968 9.844 -7.153 86 HG3 ARG 10 3HG ARG 10 -9.162 11.548 -6.739 87 HD2 ARG 10 2HD ARG 10 -6.424 10.842 -6.412 88 HD3 ARG 10 3HD ARG 10 -6.962 10.271 -7.991 89 HE ARG 10 HE ARG 10 -6.645 13.007 -7.144 90 HH11 ARG 10 1HH1 ARG 10 -8.177 10.847 -9.404 91 HH12 ARG 10 2HH1 ARG 10 -8.418 12.068 -10.609 92 HH21 ARG 10 1HH2 ARG 10 -6.957 14.624 -8.723 93 HH22 ARG 10 2HH2 ARG 10 -7.722 14.216 -10.220 94 H SEP 11 H SEP 11 -7.560 10.417 -1.939 95 HA SEP 11 HA SEP 11 -10.188 11.092 -0.948 96 HB2 SEP 11 2HB SEP 11 -9.324 9.203 0.208 97 HB3 SEP 11 3HB SEP 11 -7.685 9.803 0.231 98 H MET 12 H MET 12 -7.054 12.609 -0.800 99 HA MET 12 HA MET 12 -7.725 14.634 1.065 100 HB2 MET 12 2HB MET 12 -5.454 13.897 -0.530 101 HB3 MET 12 3HB MET 12 -5.738 15.626 -0.684 102 HG2 MET 12 2HG MET 12 -5.944 15.477 1.937 103 HG3 MET 12 3HG MET 12 -4.966 14.031 1.696 104 HE1 MET 12 3HE MET 12 -2.730 13.874 1.321 105 HE2 MET 12 1HE MET 12 -1.541 15.177 1.332 106 HE3 MET 12 2HE MET 12 -2.489 14.836 2.780 107 H PHE 13 H PHE 13 -8.296 14.234 -2.325 108 HA PHE 13 HA PHE 13 -8.720 16.970 -2.970 109 HB2 PHE 13 2HB PHE 13 -9.018 14.378 -4.298 110 HB3 PHE 13 3HB PHE 13 -10.244 15.548 -4.777 111 HD1 PHE 13 HD2 PHE 13 -6.647 15.979 -3.912 112 HD2 PHE 13 HD1 PHE 13 -9.684 16.311 -6.876 113 HE1 PHE 13 HE2 PHE 13 -5.035 17.036 -5.441 114 HE2 PHE 13 HE1 PHE 13 -8.076 17.367 -8.410 115 HZ PHE 13 HZ PHE 13 -5.749 17.732 -7.693 116 HA PRO 14 HA PRO 14 -12.819 17.688 -1.565 117 HB2 PRO 14 2HB PRO 14 -13.850 19.235 -3.537 118 HB3 PRO 14 3HB PRO 14 -12.604 19.810 -2.423 119 HG2 PRO 14 2HG PRO 14 -12.336 18.851 -5.235 120 HG3 PRO 14 3HG PRO 14 -11.485 20.171 -4.412 121 HD2 PRO 14 2HD PRO 14 -10.414 17.703 -4.874 122 HD3 PRO 14 3HD PRO 14 -9.910 18.795 -3.568 123 H SER 15 H SER 15 -12.336 16.042 -4.543 124 HA SER 15 HA SER 15 -15.056 15.571 -5.219 125 HB2 SER 15 2HB SER 15 -12.450 14.302 -6.022 126 HB3 SER 15 3HB SER 15 -13.987 13.616 -6.547 127 HG SER 15 HG SER 15 -12.876 15.295 -7.917 128 H SER 16 H SER 16 -12.830 14.103 -3.008 129 HA SER 16 HA SER 16 -14.396 11.691 -2.687 130 HB2 SER 16 2HB SER 16 -12.580 10.856 -1.630 131 HB3 SER 16 3HB SER 16 -11.750 12.273 -2.274 132 HG SER 16 HG SER 16 -12.043 13.312 -0.333 133 H GLU 17 H GLU 17 -13.996 14.779 -1.104 134 HA GLU 17 HA GLU 17 -15.509 13.995 1.232 135 HB2 GLU 17 2HB GLU 17 -13.615 15.876 0.864 136 HB3 GLU 17 3HB GLU 17 -15.053 16.865 0.654 137 HG2 GLU 17 2HG GLU 17 -15.829 15.781 2.868 138 HG3 GLU 17 3HG GLU 17 -14.127 15.371 3.068
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