NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
608568 | 5kx1 | 30145 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ASN 1 H ASN 1 -1.952 -6.822 -2.483 2 HA ASN 1 HA ASN 1 0.537 -8.285 -2.018 3 HB2 ASN 1 2HB ASN 1 0.011 -5.836 -3.730 4 HB3 ASN 1 1HB ASN 1 1.544 -6.675 -3.606 5 HD21 ASN 1 1HD2 ASN 1 1.668 -7.109 -5.729 6 HD22 ASN 1 2HD2 ASN 1 0.671 -8.214 -6.589 7 HA PRO 2 HA PRO 2 0.826 -5.416 1.549 8 HB2 PRO 2 2HB PRO 2 3.368 -6.908 1.877 9 HB3 PRO 2 1HB PRO 2 2.099 -6.590 3.062 10 HG2 PRO 2 2HG PRO 2 2.377 -9.012 2.005 11 HG3 PRO 2 1HG PRO 2 0.773 -8.327 2.313 12 HD2 PRO 2 2HD PRO 2 2.237 -8.607 -0.278 13 HD3 PRO 2 1HD PRO 2 0.513 -8.807 0.082 14 H GLU 3 H GLU 3 3.602 -6.325 -0.508 15 HA GLU 3 HA GLU 3 5.077 -4.001 0.079 16 HB2 GLU 3 2HB GLU 3 5.343 -5.969 -2.169 17 HB3 GLU 3 1HB GLU 3 6.389 -4.577 -1.991 18 HG2 GLU 3 2HG GLU 3 6.048 -6.764 0.033 19 HG3 GLU 3 1HG GLU 3 7.423 -6.566 -1.059 20 H ASP 4 H ASP 4 2.565 -4.611 -2.180 21 HA ASP 4 HA ASP 4 3.198 -2.319 -3.820 22 HB2 ASP 4 2HB ASP 4 1.918 -4.444 -4.550 23 HB3 ASP 4 1HB ASP 4 0.534 -3.713 -3.743 24 H CYS 5 H CYS 5 0.953 -3.162 -1.270 25 HA CYS 5 HA CYS 5 -0.430 -0.743 -1.043 26 HB2 CYS 5 2HB CYS 5 -1.302 -2.555 0.204 27 HB3 CYS 5 1HB CYS 5 0.254 -2.907 0.943 28 H ARG 6 H ARG 6 2.597 -1.774 0.512 29 HA ARG 6 HA ARG 6 2.879 0.806 1.736 30 HB2 ARG 6 2HB ARG 6 5.017 -0.019 2.618 31 HB3 ARG 6 1HB ARG 6 3.651 -1.060 2.985 32 HG2 ARG 6 2HG ARG 6 4.318 -2.438 1.032 33 HG3 ARG 6 1HG ARG 6 5.805 -1.484 0.967 34 HD2 ARG 6 2HD ARG 6 6.052 -3.564 2.145 35 HD3 ARG 6 1HD ARG 6 6.395 -2.194 3.207 36 HE ARG 6 HE ARG 6 3.990 -2.545 3.964 37 HH11 ARG 6 1HH1 ARG 6 5.988 -5.282 2.883 38 HH12 ARG 6 2HH1 ARG 6 5.202 -6.393 3.902 39 HH21 ARG 6 1HH2 ARG 6 2.930 -4.072 5.315 40 HH22 ARG 6 2HH2 ARG 6 3.422 -5.700 5.319 41 H GLN 7 H GLN 7 3.463 -0.279 -1.294 42 HA GLN 7 HA GLN 7 5.826 1.204 -1.961 43 HB2 GLN 7 2HB GLN 7 5.253 -0.696 -3.309 44 HB3 GLN 7 1HB GLN 7 3.642 -0.067 -3.600 45 HG2 GLN 7 2HG GLN 7 4.659 1.800 -4.871 46 HG3 GLN 7 1HG GLN 7 6.231 1.024 -4.667 47 HE21 GLN 7 1HE2 GLN 7 3.089 0.773 -6.136 48 HE22 GLN 7 2HE2 GLN 7 3.510 -0.418 -7.301 49 H ASP 8 H ASP 8 2.353 1.607 -2.486 50 HA ASP 8 HA ASP 8 2.843 4.331 -3.409 51 HB2 ASP 8 2HB ASP 8 0.421 2.547 -3.641 52 HB3 ASP 8 1HB ASP 8 0.405 4.249 -4.076 53 HA PRO 9 HA PRO 9 1.678 5.741 0.732 54 HB2 PRO 9 2HB PRO 9 1.737 8.259 -0.877 55 HB3 PRO 9 1HB PRO 9 2.421 7.943 0.723 56 HG2 PRO 9 2HG PRO 9 4.009 8.047 -1.385 57 HG3 PRO 9 1HG PRO 9 4.255 6.800 -0.148 58 HD2 PRO 9 2HD PRO 9 3.060 6.553 -2.872 59 HD3 PRO 9 1HD PRO 9 4.078 5.418 -1.973 60 H GLU 10 H GLU 10 0.284 6.900 -2.332 61 HA GLU 10 HA GLU 10 -2.154 7.916 -1.438 62 HB2 GLU 10 2HB GLU 10 -1.268 8.173 -3.729 63 HB3 GLU 10 1HB GLU 10 -1.562 6.470 -4.033 64 HG2 GLU 10 2HG GLU 10 -3.297 7.663 -5.090 65 HG3 GLU 10 1HG GLU 10 -4.003 6.945 -3.646 66 H ALA 11 H ALA 11 -1.232 4.603 -2.295 67 HA ALA 11 HA ALA 11 -3.887 3.557 -2.090 68 HB1 ALA 11 1HB ALA 11 -2.854 1.374 -2.407 69 HB2 ALA 11 2HB ALA 11 -1.258 2.075 -2.148 70 HB3 ALA 11 3HB ALA 11 -2.200 2.532 -3.568 71 H ASN 12 H ASN 12 -0.971 3.359 -0.102 72 HA ASN 12 HA ASN 12 -2.011 1.753 1.959 73 HB2 ASN 12 2HB ASN 12 0.390 2.107 1.627 74 HB3 ASN 12 1HB ASN 12 0.216 3.794 2.086 75 HD21 ASN 12 1HD2 ASN 12 0.110 0.505 3.218 76 HD22 ASN 12 2HD2 ASN 12 0.322 0.843 4.886 77 H LYS 13 H LYS 13 -2.271 5.112 1.363 78 HA LYS 13 HA LYS 13 -3.041 6.016 3.889 79 HB2 LYS 13 2HB LYS 13 -2.286 7.520 2.170 80 HB3 LYS 13 1HB LYS 13 -3.590 7.018 1.115 81 HG2 LYS 13 2HG LYS 13 -5.200 8.162 2.442 82 HG3 LYS 13 1HG LYS 13 -4.011 8.490 3.705 83 HD2 LYS 13 2HD LYS 13 -4.458 10.456 2.255 84 HD3 LYS 13 1HD LYS 13 -2.773 9.946 2.234 85 HE2 LYS 13 2HE LYS 13 -3.448 10.472 -0.018 86 HE3 LYS 13 1HE LYS 13 -3.217 8.742 0.109 87 HZ1 LYS 13 1HZ LYS 13 -5.119 9.232 -1.134 88 HZ2 LYS 13 2HZ LYS 13 -5.811 10.188 0.058 89 HZ3 LYS 13 3HZ LYS 13 -5.675 8.510 0.275 90 H SER 14 H SER 14 -4.762 4.283 1.469 91 HA SER 14 HA SER 14 -7.216 4.615 3.003 92 HB2 SER 14 2HB SER 14 -8.253 3.879 0.738 93 HB3 SER 14 1HB SER 14 -7.690 5.542 0.934 94 HG SER 14 HG SER 14 -5.952 3.553 -0.053 95 HA PRO 15 HA PRO 15 -6.173 0.350 4.193 96 HB2 PRO 15 2HB PRO 15 -8.962 0.690 5.198 97 HB3 PRO 15 1HB PRO 15 -7.560 -0.021 6.006 98 HG2 PRO 15 2HG PRO 15 -8.343 2.428 6.628 99 HG3 PRO 15 1HG PRO 15 -6.618 2.047 6.483 100 HD2 PRO 15 2HD PRO 15 -8.389 3.546 4.616 101 HD3 PRO 15 1HD PRO 15 -6.667 3.784 4.975 102 H GLU 16 H GLU 16 -9.218 1.372 2.657 103 HA GLU 16 HA GLU 16 -10.149 -1.144 1.892 104 HB2 GLU 16 2HB GLU 16 -10.484 1.363 0.245 105 HB3 GLU 16 1HB GLU 16 -11.491 -0.069 0.194 106 HG2 GLU 16 2HG GLU 16 -12.798 1.316 1.423 107 HG3 GLU 16 1HG GLU 16 -11.899 0.520 2.709 108 H GLU 17 H GLU 17 -7.660 0.847 0.459 109 HA GLU 17 HA GLU 17 -7.594 -0.738 -1.923 110 HB2 GLU 17 2HB GLU 17 -5.711 1.411 -0.954 111 HB3 GLU 17 1HB GLU 17 -5.590 0.605 -2.514 112 HG2 GLU 17 2HG GLU 17 -7.853 2.333 -1.544 113 HG3 GLU 17 1HG GLU 17 -6.680 2.723 -2.803 114 H CYS 18 H CYS 18 -5.891 -0.629 1.104 115 HA CYS 18 HA CYS 18 -4.019 -2.621 0.197 116 HB2 CYS 18 2HB CYS 18 -4.525 -1.513 2.962 117 HB3 CYS 18 1HB CYS 18 -3.235 -2.650 2.564 118 H LYS 19 H LYS 19 -7.135 -2.611 1.379 119 HA LYS 19 HA LYS 19 -7.203 -5.365 2.217 120 HB2 LYS 19 2HB LYS 19 -8.796 -3.739 3.105 121 HB3 LYS 19 1HB LYS 19 -9.345 -3.366 1.485 122 HG2 LYS 19 2HG LYS 19 -10.251 -5.635 1.284 123 HG3 LYS 19 1HG LYS 19 -9.728 -5.972 2.940 124 HD2 LYS 19 2HD LYS 19 -11.131 -4.206 3.786 125 HD3 LYS 19 1HD LYS 19 -11.576 -3.738 2.147 126 HE2 LYS 19 2HE LYS 19 -12.650 -5.904 1.828 127 HE3 LYS 19 1HE LYS 19 -12.209 -6.364 3.475 128 HZ1 LYS 19 1HZ LYS 19 -13.927 -4.067 2.745 129 HZ2 LYS 19 2HZ LYS 19 -13.567 -4.570 4.309 130 HZ3 LYS 19 3HZ LYS 19 -14.493 -5.553 3.294 131 H LYS 20 H LYS 20 -8.130 -3.432 -0.550 132 HA LYS 20 HA LYS 20 -9.070 -5.406 -2.298 133 HB2 LYS 20 2HB LYS 20 -9.423 -2.999 -2.585 134 HB3 LYS 20 1HB LYS 20 -7.707 -2.765 -2.825 135 HG2 LYS 20 2HG LYS 20 -7.832 -4.132 -4.878 136 HG3 LYS 20 1HG LYS 20 -9.573 -4.253 -4.652 137 HD2 LYS 20 2HD LYS 20 -8.196 -1.584 -4.825 138 HD3 LYS 20 1HD LYS 20 -8.666 -2.459 -6.271 139 HE2 LYS 20 2HE LYS 20 -10.379 -0.857 -5.773 140 HE3 LYS 20 1HE LYS 20 -11.009 -2.456 -5.439 141 HZ1 LYS 20 1HZ LYS 20 -10.720 -2.036 -3.060 142 HZ2 LYS 20 2HZ LYS 20 -11.654 -0.863 -3.771 143 HZ3 LYS 20 3HZ LYS 20 -10.055 -0.502 -3.389 144 H LEU 21 H LEU 21 -5.904 -3.840 -2.091 145 HA LEU 21 HA LEU 21 -4.697 -5.704 -3.905 146 HB2 LEU 21 2HB LEU 21 -3.679 -3.368 -2.301 147 HB3 LEU 21 1HB LEU 21 -2.587 -4.435 -3.145 148 HG LEU 21 HG LEU 21 -3.479 -3.724 -5.293 149 HD11 LEU 21 1HD1 LEU 21 -5.821 -3.369 -4.661 150 HD12 LEU 21 2HD1 LEU 21 -5.152 -1.975 -5.504 151 HD13 LEU 21 3HD1 LEU 21 -5.352 -1.934 -3.751 152 HD21 LEU 21 1HD2 LEU 21 -2.904 -1.403 -3.477 153 HD22 LEU 21 2HD2 LEU 21 -2.810 -1.386 -5.239 154 HD23 LEU 21 3HD2 LEU 21 -1.716 -2.407 -4.307 155 H LYS 22 H LYS 22 -4.296 -7.648 -3.181 156 HA LYS 22 HA LYS 22 -3.846 -8.236 -0.403 157 HB2 LYS 22 2HB LYS 22 -3.624 -9.966 -2.858 158 HB3 LYS 22 1HB LYS 22 -3.538 -10.546 -1.205 159 HG2 LYS 22 2HG LYS 22 -5.845 -9.823 -0.833 160 HG3 LYS 22 1HG LYS 22 -5.929 -9.245 -2.503 161 HD2 LYS 22 2HD LYS 22 -5.509 -11.481 -3.325 162 HD3 LYS 22 1HD LYS 22 -5.303 -12.060 -1.673 163 HE2 LYS 22 2HE LYS 22 -7.647 -11.506 -1.208 164 HE3 LYS 22 1HE LYS 22 -7.836 -10.968 -2.878 165 HZ1 LYS 22 1HZ LYS 22 -7.030 -13.720 -2.102 166 HZ2 LYS 22 2HZ LYS 22 -7.404 -13.193 -3.648 167 HZ3 LYS 22 3HZ LYS 22 -8.597 -13.274 -2.473 Start of MODEL 2 1 H ASN 1 H ASN 1 -2.160 -6.480 -2.028 2 HA ASN 1 HA ASN 1 0.344 -8.004 -2.022 3 HB2 ASN 1 2HB ASN 1 -0.294 -5.497 -3.636 4 HB3 ASN 1 1HB ASN 1 1.274 -6.276 -3.545 5 HD21 ASN 1 1HD2 ASN 1 1.471 -6.627 -5.675 6 HD22 ASN 1 2HD2 ASN 1 0.503 -7.716 -6.581 7 HA PRO 2 HA PRO 2 0.050 -5.252 1.619 8 HB2 PRO 2 2HB PRO 2 2.433 -6.853 2.368 9 HB3 PRO 2 1HB PRO 2 0.987 -6.478 3.306 10 HG2 PRO 2 2HG PRO 2 1.303 -8.905 2.286 11 HG3 PRO 2 1HG PRO 2 -0.286 -8.118 2.268 12 HD2 PRO 2 2HD PRO 2 1.688 -8.439 0.044 13 HD3 PRO 2 1HD PRO 2 -0.081 -8.603 0.020 14 H GLU 3 H GLU 3 3.228 -6.185 0.309 15 HA GLU 3 HA GLU 3 4.560 -3.874 1.280 16 HB2 GLU 3 2HB GLU 3 5.607 -6.074 0.578 17 HB3 GLU 3 1HB GLU 3 5.374 -5.552 -1.082 18 HG2 GLU 3 2HG GLU 3 7.632 -5.125 -0.411 19 HG3 GLU 3 1HG GLU 3 6.784 -3.594 -0.639 20 H ASP 4 H ASP 4 3.016 -4.713 -1.704 21 HA ASP 4 HA ASP 4 3.916 -2.497 -3.232 22 HB2 ASP 4 2HB ASP 4 3.125 -4.576 -4.277 23 HB3 ASP 4 1HB ASP 4 1.506 -4.242 -3.674 24 H CYS 5 H CYS 5 0.896 -3.065 -1.399 25 HA CYS 5 HA CYS 5 -0.188 -0.567 -2.243 26 HB2 CYS 5 2HB CYS 5 -2.003 -0.931 -0.711 27 HB3 CYS 5 1HB CYS 5 -1.600 -2.492 -1.411 28 H ARG 6 H ARG 6 1.858 -1.565 0.390 29 HA ARG 6 HA ARG 6 1.658 0.834 1.920 30 HB2 ARG 6 2HB ARG 6 3.867 -1.213 1.740 31 HB3 ARG 6 1HB ARG 6 3.853 0.100 2.890 32 HG2 ARG 6 2HG ARG 6 1.838 -2.142 2.753 33 HG3 ARG 6 1HG ARG 6 3.193 -2.053 3.870 34 HD2 ARG 6 2HD ARG 6 1.342 -1.346 5.118 35 HD3 ARG 6 1HD ARG 6 2.168 0.137 4.670 36 HE ARG 6 HE ARG 6 0.018 -0.680 2.918 37 HH11 ARG 6 1HH1 ARG 6 0.973 1.308 5.705 38 HH12 ARG 6 2HH1 ARG 6 -0.403 2.293 5.636 39 HH21 ARG 6 1HH2 ARG 6 -1.928 0.688 2.891 40 HH22 ARG 6 2HH2 ARG 6 -2.078 1.926 4.053 41 H GLN 7 H GLN 7 3.420 -0.154 -0.844 42 HA GLN 7 HA GLN 7 5.535 1.710 -0.882 43 HB2 GLN 7 2HB GLN 7 5.644 -0.321 -2.143 44 HB3 GLN 7 1HB GLN 7 4.197 0.098 -3.036 45 HG2 GLN 7 2HG GLN 7 5.441 1.999 -4.036 46 HG3 GLN 7 1HG GLN 7 6.898 1.402 -3.235 47 HE21 GLN 7 1HE2 GLN 7 4.532 0.786 -5.686 48 HE22 GLN 7 2HE2 GLN 7 5.391 -0.459 -6.501 49 H ASP 8 H ASP 8 2.469 1.638 -2.661 50 HA ASP 8 HA ASP 8 3.007 4.192 -3.846 51 HB2 ASP 8 2HB ASP 8 0.532 2.466 -3.926 52 HB3 ASP 8 1HB ASP 8 0.621 4.041 -4.705 53 HA PRO 9 HA PRO 9 1.765 6.726 -0.433 54 HB2 PRO 9 2HB PRO 9 1.120 8.684 -2.562 55 HB3 PRO 9 1HB PRO 9 2.165 8.860 -1.152 56 HG2 PRO 9 2HG PRO 9 3.152 8.574 -3.635 57 HG3 PRO 9 1HG PRO 9 3.978 7.930 -2.210 58 HD2 PRO 9 2HD PRO 9 2.473 6.503 -4.329 59 HD3 PRO 9 1HD PRO 9 3.817 5.957 -3.311 60 H GLU 10 H GLU 10 -0.191 6.441 -3.317 61 HA GLU 10 HA GLU 10 -2.585 7.543 -2.379 62 HB2 GLU 10 2HB GLU 10 -2.092 7.038 -4.747 63 HB3 GLU 10 1HB GLU 10 -2.193 5.320 -4.395 64 HG2 GLU 10 2HG GLU 10 -4.203 6.064 -5.462 65 HG3 GLU 10 1HG GLU 10 -4.558 5.642 -3.788 66 H ALA 11 H ALA 11 -1.455 4.164 -2.439 67 HA ALA 11 HA ALA 11 -3.803 3.262 -1.017 68 HB1 ALA 11 1HB ALA 11 -2.920 1.029 -1.377 69 HB2 ALA 11 2HB ALA 11 -1.403 1.705 -1.972 70 HB3 ALA 11 3HB ALA 11 -2.895 1.948 -2.881 71 H ASN 12 H ASN 12 -0.732 4.357 -0.232 72 HA ASN 12 HA ASN 12 -0.084 2.874 2.070 73 HB2 ASN 12 2HB ASN 12 1.519 4.354 0.914 74 HB3 ASN 12 1HB ASN 12 0.589 5.755 1.421 75 HD21 ASN 12 1HD2 ASN 12 2.889 3.352 2.363 76 HD22 ASN 12 2HD2 ASN 12 3.250 4.012 3.911 77 H LYS 13 H LYS 13 -2.453 5.281 1.557 78 HA LYS 13 HA LYS 13 -2.777 5.675 4.466 79 HB2 LYS 13 2HB LYS 13 -3.971 7.702 3.955 80 HB3 LYS 13 1HB LYS 13 -2.414 7.715 3.135 81 HG2 LYS 13 2HG LYS 13 -3.479 7.091 1.053 82 HG3 LYS 13 1HG LYS 13 -5.042 7.012 1.859 83 HD2 LYS 13 2HD LYS 13 -4.865 9.406 2.386 84 HD3 LYS 13 1HD LYS 13 -3.322 9.467 1.528 85 HE2 LYS 13 2HE LYS 13 -6.009 8.756 0.350 86 HE3 LYS 13 1HE LYS 13 -5.093 10.240 0.080 87 HZ1 LYS 13 1HZ LYS 13 -4.183 7.524 -0.659 88 HZ2 LYS 13 2HZ LYS 13 -3.378 8.973 -0.992 89 HZ3 LYS 13 3HZ LYS 13 -4.845 8.619 -1.739 90 H SER 14 H SER 14 -4.003 3.769 2.073 91 HA SER 14 HA SER 14 -6.690 4.028 3.130 92 HB2 SER 14 2HB SER 14 -7.303 3.188 0.780 93 HB3 SER 14 1HB SER 14 -6.817 4.877 0.983 94 HG SER 14 HG SER 14 -5.721 3.845 -0.779 95 HA PRO 15 HA PRO 15 -5.702 -0.229 4.374 96 HB2 PRO 15 2HB PRO 15 -8.448 0.095 5.473 97 HB3 PRO 15 1HB PRO 15 -6.989 -0.484 6.285 98 HG2 PRO 15 2HG PRO 15 -7.948 1.941 6.811 99 HG3 PRO 15 1HG PRO 15 -6.202 1.670 6.682 100 HD2 PRO 15 2HD PRO 15 -8.077 2.894 4.701 101 HD3 PRO 15 1HD PRO 15 -6.417 3.363 5.130 102 H GLU 16 H GLU 16 -8.593 1.111 2.956 103 HA GLU 16 HA GLU 16 -9.872 -1.241 2.095 104 HB2 GLU 16 2HB GLU 16 -9.959 1.511 0.883 105 HB3 GLU 16 1HB GLU 16 -11.049 0.195 0.489 106 HG2 GLU 16 2HG GLU 16 -11.855 0.187 2.792 107 HG3 GLU 16 1HG GLU 16 -10.777 1.537 3.160 108 H GLU 17 H GLU 17 -7.247 0.624 0.690 109 HA GLU 17 HA GLU 17 -7.493 -0.822 -1.767 110 HB2 GLU 17 2HB GLU 17 -5.433 1.197 -0.894 111 HB3 GLU 17 1HB GLU 17 -5.440 0.416 -2.474 112 HG2 GLU 17 2HG GLU 17 -7.738 1.291 -2.816 113 HG3 GLU 17 1HG GLU 17 -7.558 2.210 -1.326 114 H CYS 18 H CYS 18 -5.617 -1.027 1.130 115 HA CYS 18 HA CYS 18 -3.966 -3.109 0.091 116 HB2 CYS 18 2HB CYS 18 -4.534 -2.240 2.933 117 HB3 CYS 18 1HB CYS 18 -3.417 -3.540 2.535 118 H LYS 19 H LYS 19 -7.150 -2.926 1.327 119 HA LYS 19 HA LYS 19 -7.437 -5.778 1.668 120 HB2 LYS 19 2HB LYS 19 -9.565 -3.638 1.344 121 HB3 LYS 19 1HB LYS 19 -9.876 -5.312 1.762 122 HG2 LYS 19 2HG LYS 19 -8.369 -3.311 3.434 123 HG3 LYS 19 1HG LYS 19 -10.016 -3.876 3.710 124 HD2 LYS 19 2HD LYS 19 -9.137 -6.171 4.006 125 HD3 LYS 19 1HD LYS 19 -7.502 -5.542 3.809 126 HE2 LYS 19 2HE LYS 19 -8.003 -5.791 6.170 127 HE3 LYS 19 1HE LYS 19 -7.843 -4.087 5.756 128 HZ1 LYS 19 1HZ LYS 19 -10.413 -5.521 6.052 129 HZ2 LYS 19 2HZ LYS 19 -10.230 -3.866 5.753 130 HZ3 LYS 19 3HZ LYS 19 -9.722 -4.531 7.213 131 H LYS 20 H LYS 20 -8.122 -3.377 -0.785 132 HA LYS 20 HA LYS 20 -9.324 -5.046 -2.695 133 HB2 LYS 20 2HB LYS 20 -9.391 -2.600 -2.846 134 HB3 LYS 20 1HB LYS 20 -7.651 -2.552 -3.085 135 HG2 LYS 20 2HG LYS 20 -7.891 -3.706 -5.221 136 HG3 LYS 20 1HG LYS 20 -9.631 -3.815 -4.970 137 HD2 LYS 20 2HD LYS 20 -8.069 -1.242 -5.207 138 HD3 LYS 20 1HD LYS 20 -8.998 -1.986 -6.506 139 HE2 LYS 20 2HE LYS 20 -10.079 -0.945 -3.883 140 HE3 LYS 20 1HE LYS 20 -10.278 -0.198 -5.463 141 HZ1 LYS 20 1HZ LYS 20 -11.559 -2.148 -6.159 142 HZ2 LYS 20 2HZ LYS 20 -12.255 -1.415 -4.824 143 HZ3 LYS 20 3HZ LYS 20 -11.389 -2.828 -4.628 144 H LEU 21 H LEU 21 -5.981 -3.929 -2.445 145 HA LEU 21 HA LEU 21 -5.129 -5.983 -4.321 146 HB2 LEU 21 2HB LEU 21 -3.612 -3.768 -2.959 147 HB3 LEU 21 1HB LEU 21 -2.996 -4.818 -4.215 148 HG LEU 21 HG LEU 21 -5.239 -2.839 -4.591 149 HD11 LEU 21 1HD1 LEU 21 -3.573 -1.536 -5.809 150 HD12 LEU 21 2HD1 LEU 21 -2.326 -2.690 -5.321 151 HD13 LEU 21 3HD1 LEU 21 -3.158 -1.720 -4.104 152 HD21 LEU 21 1HD2 LEU 21 -4.833 -3.259 -6.976 153 HD22 LEU 21 2HD2 LEU 21 -5.347 -4.716 -6.131 154 HD23 LEU 21 3HD2 LEU 21 -3.647 -4.493 -6.549 155 H LYS 22 H LYS 22 -4.561 -7.868 -3.426 156 HA LYS 22 HA LYS 22 -3.844 -7.982 -0.621 157 HB2 LYS 22 2HB LYS 22 -4.658 -9.929 -2.672 158 HB3 LYS 22 1HB LYS 22 -3.434 -10.515 -1.560 159 HG2 LYS 22 2HG LYS 22 -5.638 -11.137 -0.794 160 HG3 LYS 22 1HG LYS 22 -4.908 -10.001 0.328 161 HD2 LYS 22 2HD LYS 22 -7.254 -9.496 0.012 162 HD3 LYS 22 1HD LYS 22 -6.271 -8.196 -0.661 163 HE2 LYS 22 2HE LYS 22 -6.636 -9.014 -2.889 164 HE3 LYS 22 1HE LYS 22 -7.448 -10.453 -2.266 165 HZ1 LYS 22 1HZ LYS 22 -9.257 -9.138 -1.523 166 HZ2 LYS 22 2HZ LYS 22 -8.950 -8.614 -3.104 167 HZ3 LYS 22 3HZ LYS 22 -8.421 -7.715 -1.776 Start of MODEL 3 1 H ASN 1 H ASN 1 -2.193 -7.464 -2.782 2 HA ASN 1 HA ASN 1 0.476 -8.470 -2.136 3 HB2 ASN 1 2HB ASN 1 -0.220 -6.497 -4.337 4 HB3 ASN 1 1HB ASN 1 1.409 -6.956 -3.864 5 HD21 ASN 1 1HD2 ASN 1 2.145 -9.025 -4.390 6 HD22 ASN 1 2HD2 ASN 1 1.405 -9.981 -5.608 7 HA PRO 2 HA PRO 2 -0.628 -5.137 0.823 8 HB2 PRO 2 2HB PRO 2 1.541 -6.470 2.334 9 HB3 PRO 2 1HB PRO 2 -0.097 -6.061 2.854 10 HG2 PRO 2 2HG PRO 2 0.565 -8.587 2.362 11 HG3 PRO 2 1HG PRO 2 -1.018 -7.959 1.875 12 HD2 PRO 2 2HD PRO 2 1.426 -8.407 0.199 13 HD3 PRO 2 1HD PRO 2 -0.274 -8.784 -0.159 14 H GLU 3 H GLU 3 2.729 -6.243 0.325 15 HA GLU 3 HA GLU 3 3.879 -3.731 0.958 16 HB2 GLU 3 2HB GLU 3 4.955 -6.219 -0.291 17 HB3 GLU 3 1HB GLU 3 5.906 -4.747 -0.358 18 HG2 GLU 3 2HG GLU 3 6.564 -6.153 1.518 19 HG3 GLU 3 1HG GLU 3 5.904 -4.620 2.061 20 H ASP 4 H ASP 4 2.802 -5.148 -1.974 21 HA ASP 4 HA ASP 4 3.894 -3.271 -3.781 22 HB2 ASP 4 2HB ASP 4 2.959 -5.353 -4.591 23 HB3 ASP 4 1HB ASP 4 1.385 -4.922 -3.937 24 H CYS 5 H CYS 5 0.704 -3.461 -2.260 25 HA CYS 5 HA CYS 5 -0.235 -1.005 -3.221 26 HB2 CYS 5 2HB CYS 5 -1.754 -2.658 -2.311 27 HB3 CYS 5 1HB CYS 5 -0.992 -2.534 -0.733 28 H ARG 6 H ARG 6 1.301 -1.822 -0.129 29 HA ARG 6 HA ARG 6 0.988 0.699 1.047 30 HB2 ARG 6 2HB ARG 6 1.223 -1.286 2.365 31 HB3 ARG 6 1HB ARG 6 2.826 -1.583 1.722 32 HG2 ARG 6 2HG ARG 6 3.666 0.393 2.822 33 HG3 ARG 6 1HG ARG 6 2.048 0.769 3.415 34 HD2 ARG 6 2HD ARG 6 3.539 -0.316 5.088 35 HD3 ARG 6 1HD ARG 6 2.029 -1.171 4.798 36 HE ARG 6 HE ARG 6 3.166 -2.887 3.880 37 HH11 ARG 6 1HH1 ARG 6 5.468 -0.200 4.166 38 HH12 ARG 6 2HH1 ARG 6 6.839 -1.199 4.146 39 HH21 ARG 6 1HH2 ARG 6 5.031 -4.247 3.831 40 HH22 ARG 6 2HH2 ARG 6 6.591 -3.562 3.929 41 H GLN 7 H GLN 7 3.393 -0.404 -1.162 42 HA GLN 7 HA GLN 7 5.517 1.299 -0.429 43 HB2 GLN 7 2HB GLN 7 5.679 -0.635 -2.026 44 HB3 GLN 7 1HB GLN 7 4.848 0.347 -3.217 45 HG2 GLN 7 2HG GLN 7 6.691 1.985 -3.120 46 HG3 GLN 7 1HG GLN 7 7.530 0.934 -1.983 47 HE21 GLN 7 1HE2 GLN 7 9.265 0.624 -3.322 48 HE22 GLN 7 2HE2 GLN 7 9.183 -0.329 -4.755 49 H ASP 8 H ASP 8 2.601 1.843 -2.200 50 HA ASP 8 HA ASP 8 3.450 4.437 -3.171 51 HB2 ASP 8 2HB ASP 8 0.984 2.790 -3.542 52 HB3 ASP 8 1HB ASP 8 0.921 4.512 -3.881 53 HA PRO 9 HA PRO 9 2.077 6.738 0.332 54 HB2 PRO 9 2HB PRO 9 1.368 9.066 -0.957 55 HB3 PRO 9 1HB PRO 9 3.024 8.622 -0.536 56 HG2 PRO 9 2HG PRO 9 1.593 8.339 -3.150 57 HG3 PRO 9 1HG PRO 9 3.259 8.863 -2.839 58 HD2 PRO 9 2HD PRO 9 2.694 6.397 -3.701 59 HD3 PRO 9 1HD PRO 9 4.009 6.694 -2.544 60 H GLU 10 H GLU 10 0.009 6.192 -2.394 61 HA GLU 10 HA GLU 10 -2.347 7.405 -1.324 62 HB2 GLU 10 2HB GLU 10 -1.762 6.809 -3.769 63 HB3 GLU 10 1HB GLU 10 -2.297 5.192 -3.349 64 HG2 GLU 10 2HG GLU 10 -4.126 6.263 -4.399 65 HG3 GLU 10 1HG GLU 10 -4.498 6.217 -2.677 66 H ALA 11 H ALA 11 -0.669 4.516 -0.643 67 HA ALA 11 HA ALA 11 -2.857 2.916 0.255 68 HB1 ALA 11 1HB ALA 11 -0.699 1.943 -0.344 69 HB2 ALA 11 2HB ALA 11 -1.130 1.567 1.324 70 HB3 ALA 11 3HB ALA 11 0.063 2.822 0.981 71 H ASN 12 H ASN 12 -0.981 5.494 1.500 72 HA ASN 12 HA ASN 12 -1.673 5.099 4.259 73 HB2 ASN 12 2HB ASN 12 -0.442 7.446 2.799 74 HB3 ASN 12 1HB ASN 12 -0.665 7.371 4.543 75 HD21 ASN 12 1HD2 ASN 12 0.592 5.968 5.726 76 HD22 ASN 12 2HD2 ASN 12 2.038 5.259 5.127 77 H LYS 13 H LYS 13 -2.835 6.706 1.496 78 HA LYS 13 HA LYS 13 -4.752 8.448 2.669 79 HB2 LYS 13 2HB LYS 13 -4.003 8.654 0.328 80 HB3 LYS 13 1HB LYS 13 -4.699 7.090 -0.025 81 HG2 LYS 13 2HG LYS 13 -6.223 8.677 -0.872 82 HG3 LYS 13 1HG LYS 13 -6.944 8.046 0.605 83 HD2 LYS 13 2HD LYS 13 -7.236 10.445 0.503 84 HD3 LYS 13 1HD LYS 13 -6.127 10.039 1.814 85 HE2 LYS 13 2HE LYS 13 -5.356 11.971 0.513 86 HE3 LYS 13 1HE LYS 13 -4.220 10.638 0.423 87 HZ1 LYS 13 1HZ LYS 13 -4.573 11.688 -1.720 88 HZ2 LYS 13 2HZ LYS 13 -6.217 11.357 -1.657 89 HZ3 LYS 13 3HZ LYS 13 -5.105 10.086 -1.785 90 H SER 14 H SER 14 -4.914 5.245 1.189 91 HA SER 14 HA SER 14 -7.197 4.620 2.852 92 HB2 SER 14 2HB SER 14 -8.341 3.733 0.768 93 HB3 SER 14 1HB SER 14 -8.282 5.490 0.952 94 HG SER 14 HG SER 14 -6.219 4.179 -0.412 95 HA PRO 15 HA PRO 15 -4.506 0.918 2.775 96 HB2 PRO 15 2HB PRO 15 -6.148 0.307 5.150 97 HB3 PRO 15 1HB PRO 15 -4.390 0.346 4.984 98 HG2 PRO 15 2HG PRO 15 -5.667 2.257 6.333 99 HG3 PRO 15 1HG PRO 15 -4.285 2.648 5.294 100 HD2 PRO 15 2HD PRO 15 -7.210 2.954 4.738 101 HD3 PRO 15 1HD PRO 15 -5.874 4.085 4.420 102 H GLU 16 H GLU 16 -7.879 1.422 2.527 103 HA GLU 16 HA GLU 16 -8.978 -1.134 2.598 104 HB2 GLU 16 2HB GLU 16 -10.334 0.930 2.319 105 HB3 GLU 16 1HB GLU 16 -9.769 1.050 0.653 106 HG2 GLU 16 2HG GLU 16 -10.711 -1.344 0.416 107 HG3 GLU 16 1HG GLU 16 -11.597 -0.973 1.890 108 H GLU 17 H GLU 17 -7.238 0.497 -0.012 109 HA GLU 17 HA GLU 17 -7.807 -1.571 -1.859 110 HB2 GLU 17 2HB GLU 17 -7.351 0.703 -2.662 111 HB3 GLU 17 1HB GLU 17 -5.707 0.598 -2.051 112 HG2 GLU 17 2HG GLU 17 -5.084 -0.980 -3.662 113 HG3 GLU 17 1HG GLU 17 -6.756 -1.348 -4.071 114 H CYS 18 H CYS 18 -5.313 -1.084 0.471 115 HA CYS 18 HA CYS 18 -3.560 -3.079 -0.570 116 HB2 CYS 18 2HB CYS 18 -3.806 -2.048 2.268 117 HB3 CYS 18 1HB CYS 18 -2.452 -2.965 1.619 118 H LYS 19 H LYS 19 -6.261 -2.970 1.581 119 HA LYS 19 HA LYS 19 -6.165 -5.706 2.422 120 HB2 LYS 19 2HB LYS 19 -7.181 -3.782 3.658 121 HB3 LYS 19 1HB LYS 19 -8.440 -3.715 2.448 122 HG2 LYS 19 2HG LYS 19 -9.278 -4.843 4.382 123 HG3 LYS 19 1HG LYS 19 -9.088 -6.028 3.083 124 HD2 LYS 19 2HD LYS 19 -7.023 -6.795 4.022 125 HD3 LYS 19 1HD LYS 19 -7.068 -5.534 5.253 126 HE2 LYS 19 2HE LYS 19 -9.173 -6.539 6.104 127 HE3 LYS 19 1HE LYS 19 -8.967 -7.833 4.923 128 HZ1 LYS 19 1HZ LYS 19 -6.888 -8.428 5.969 129 HZ2 LYS 19 2HZ LYS 19 -8.122 -8.422 7.129 130 HZ3 LYS 19 3HZ LYS 19 -7.041 -7.146 7.046 131 H LYS 20 H LYS 20 -7.200 -4.041 -0.328 132 HA LYS 20 HA LYS 20 -9.239 -5.918 -1.191 133 HB2 LYS 20 2HB LYS 20 -9.367 -3.450 -1.578 134 HB3 LYS 20 1HB LYS 20 -8.000 -3.598 -2.670 135 HG2 LYS 20 2HG LYS 20 -9.342 -5.081 -4.104 136 HG3 LYS 20 1HG LYS 20 -10.719 -4.851 -3.033 137 HD2 LYS 20 2HD LYS 20 -9.312 -2.743 -4.678 138 HD3 LYS 20 1HD LYS 20 -10.936 -3.373 -4.931 139 HE2 LYS 20 2HE LYS 20 -10.007 -1.757 -2.544 140 HE3 LYS 20 1HE LYS 20 -10.947 -1.148 -3.894 141 HZ1 LYS 20 1HZ LYS 20 -12.767 -2.580 -3.251 142 HZ2 LYS 20 2HZ LYS 20 -12.311 -1.605 -1.955 143 HZ3 LYS 20 3HZ LYS 20 -11.883 -3.237 -1.981 144 H LEU 21 H LEU 21 -5.953 -4.973 -1.976 145 HA LEU 21 HA LEU 21 -5.763 -6.874 -4.134 146 HB2 LEU 21 2HB LEU 21 -3.621 -5.204 -2.814 147 HB3 LEU 21 1HB LEU 21 -3.418 -6.148 -4.272 148 HG LEU 21 HG LEU 21 -5.157 -3.702 -3.949 149 HD11 LEU 21 1HD1 LEU 21 -2.608 -4.159 -5.479 150 HD12 LEU 21 2HD1 LEU 21 -2.804 -3.176 -4.026 151 HD13 LEU 21 3HD1 LEU 21 -3.590 -2.697 -5.529 152 HD21 LEU 21 1HD2 LEU 21 -5.532 -3.875 -6.368 153 HD22 LEU 21 2HD2 LEU 21 -6.192 -5.265 -5.509 154 HD23 LEU 21 3HD2 LEU 21 -4.666 -5.410 -6.388 155 H LYS 22 H LYS 22 -3.826 -8.362 -4.100 156 HA LYS 22 HA LYS 22 -3.766 -9.804 -1.524 157 HB2 LYS 22 2HB LYS 22 -3.219 -11.771 -2.816 158 HB3 LYS 22 1HB LYS 22 -4.575 -10.982 -3.606 159 HG2 LYS 22 2HG LYS 22 -2.827 -9.873 -5.103 160 HG3 LYS 22 1HG LYS 22 -1.711 -11.049 -4.444 161 HD2 LYS 22 2HD LYS 22 -3.132 -12.868 -5.232 162 HD3 LYS 22 1HD LYS 22 -4.264 -11.688 -5.903 163 HE2 LYS 22 2HE LYS 22 -1.401 -12.147 -6.716 164 HE3 LYS 22 1HE LYS 22 -2.848 -12.461 -7.671 165 HZ1 LYS 22 1HZ LYS 22 -1.802 -10.432 -8.373 166 HZ2 LYS 22 2HZ LYS 22 -1.859 -9.776 -6.829 167 HZ3 LYS 22 3HZ LYS 22 -3.289 -10.043 -7.685 Start of MODEL 4 1 H ASN 1 H ASN 1 -1.753 -6.773 -2.562 2 HA ASN 1 HA ASN 1 0.664 -8.207 -1.748 3 HB2 ASN 1 2HB ASN 1 0.307 -6.233 -3.996 4 HB3 ASN 1 1HB ASN 1 1.889 -6.584 -3.314 5 HD21 ASN 1 1HD2 ASN 1 2.840 -8.572 -3.688 6 HD22 ASN 1 2HD2 ASN 1 2.231 -9.663 -4.872 7 HA PRO 2 HA PRO 2 0.603 -5.088 1.510 8 HB2 PRO 2 2HB PRO 2 3.026 -6.728 2.097 9 HB3 PRO 2 1HB PRO 2 1.768 -6.157 3.200 10 HG2 PRO 2 2HG PRO 2 1.803 -8.688 2.438 11 HG3 PRO 2 1HG PRO 2 0.268 -7.805 2.547 12 HD2 PRO 2 2HD PRO 2 1.858 -8.544 0.133 13 HD3 PRO 2 1HD PRO 2 0.096 -8.508 0.359 14 H GLU 3 H GLU 3 3.309 -6.238 -0.461 15 HA GLU 3 HA GLU 3 5.160 -4.182 0.011 16 HB2 GLU 3 2HB GLU 3 4.806 -5.323 -2.747 17 HB3 GLU 3 1HB GLU 3 6.277 -4.755 -1.993 18 HG2 GLU 3 2HG GLU 3 6.542 -7.046 -2.081 19 HG3 GLU 3 1HG GLU 3 5.984 -6.773 -0.429 20 H ASP 4 H ASP 4 2.511 -4.426 -2.261 21 HA ASP 4 HA ASP 4 3.089 -2.026 -3.693 22 HB2 ASP 4 2HB ASP 4 1.784 -4.052 -4.523 23 HB3 ASP 4 1HB ASP 4 0.437 -3.456 -3.563 24 H CYS 5 H CYS 5 0.707 -2.967 -1.252 25 HA CYS 5 HA CYS 5 -0.568 -0.502 -0.871 26 HB2 CYS 5 2HB CYS 5 -1.555 -2.390 0.184 27 HB3 CYS 5 1HB CYS 5 -0.062 -2.810 1.009 28 H ARG 6 H ARG 6 2.471 -1.657 0.399 29 HA ARG 6 HA ARG 6 2.763 0.684 2.075 30 HB2 ARG 6 2HB ARG 6 4.517 -1.724 1.662 31 HB3 ARG 6 1HB ARG 6 4.846 -0.422 2.799 32 HG2 ARG 6 2HG ARG 6 2.841 -0.949 4.051 33 HG3 ARG 6 1HG ARG 6 2.385 -2.156 2.856 34 HD2 ARG 6 2HD ARG 6 3.366 -3.196 4.841 35 HD3 ARG 6 1HD ARG 6 4.344 -3.478 3.410 36 HE ARG 6 HE ARG 6 5.382 -1.235 4.554 37 HH11 ARG 6 1HH1 ARG 6 4.826 -4.536 5.714 38 HH12 ARG 6 2HH1 ARG 6 6.227 -4.571 6.673 39 HH21 ARG 6 1HH2 ARG 6 7.321 -1.307 5.872 40 HH22 ARG 6 2HH2 ARG 6 7.655 -2.715 6.768 41 H GLN 7 H GLN 7 3.409 -0.095 -1.103 42 HA GLN 7 HA GLN 7 5.884 1.409 -1.330 43 HB2 GLN 7 2HB GLN 7 5.560 -0.594 -2.718 44 HB3 GLN 7 1HB GLN 7 4.148 0.144 -3.454 45 HG2 GLN 7 2HG GLN 7 5.630 1.955 -4.314 46 HG3 GLN 7 1HG GLN 7 7.009 1.036 -3.713 47 HE21 GLN 7 1HE2 GLN 7 7.818 0.776 -5.795 48 HE22 GLN 7 2HE2 GLN 7 7.081 -0.282 -6.938 49 H ASP 8 H ASP 8 2.649 1.583 -2.812 50 HA ASP 8 HA ASP 8 3.140 4.339 -3.519 51 HB2 ASP 8 2HB ASP 8 0.784 2.514 -4.028 52 HB3 ASP 8 1HB ASP 8 0.703 4.237 -4.358 53 HA PRO 9 HA PRO 9 1.518 5.495 0.439 54 HB2 PRO 9 2HB PRO 9 1.931 8.177 0.187 55 HB3 PRO 9 1HB PRO 9 3.187 7.024 0.644 56 HG2 PRO 9 2HG PRO 9 2.684 8.320 -1.985 57 HG3 PRO 9 1HG PRO 9 4.215 7.893 -1.207 58 HD2 PRO 9 2HD PRO 9 3.040 6.447 -3.220 59 HD3 PRO 9 1HD PRO 9 4.181 5.772 -2.038 60 H GLU 10 H GLU 10 0.550 6.528 -2.626 61 HA GLU 10 HA GLU 10 -1.738 8.045 -2.012 62 HB2 GLU 10 2HB GLU 10 -0.567 7.855 -4.251 63 HB3 GLU 10 1HB GLU 10 -1.273 6.262 -4.411 64 HG2 GLU 10 2HG GLU 10 -3.494 7.218 -4.435 65 HG3 GLU 10 1HG GLU 10 -2.822 8.830 -4.179 66 H ALA 11 H ALA 11 -1.111 4.591 -2.360 67 HA ALA 11 HA ALA 11 -3.884 3.871 -1.854 68 HB1 ALA 11 1HB ALA 11 -2.602 2.612 -3.522 69 HB2 ALA 11 2HB ALA 11 -3.125 1.577 -2.196 70 HB3 ALA 11 3HB ALA 11 -1.453 2.132 -2.275 71 H ASN 12 H ASN 12 -0.818 4.034 -0.272 72 HA ASN 12 HA ASN 12 -1.181 2.315 1.885 73 HB2 ASN 12 2HB ASN 12 0.969 3.410 1.190 74 HB3 ASN 12 1HB ASN 12 0.371 4.890 1.938 75 HD21 ASN 12 1HD2 ASN 12 1.390 1.651 2.508 76 HD22 ASN 12 2HD2 ASN 12 1.809 1.836 4.181 77 H LYS 13 H LYS 13 -2.330 5.571 1.443 78 HA LYS 13 HA LYS 13 -3.173 5.756 4.197 79 HB2 LYS 13 2HB LYS 13 -4.136 7.941 3.565 80 HB3 LYS 13 1HB LYS 13 -2.426 7.796 3.196 81 HG2 LYS 13 2HG LYS 13 -2.918 7.476 0.857 82 HG3 LYS 13 1HG LYS 13 -4.650 7.462 1.195 83 HD2 LYS 13 2HD LYS 13 -3.977 9.620 0.328 84 HD3 LYS 13 1HD LYS 13 -4.508 9.771 1.997 85 HE2 LYS 13 2HE LYS 13 -2.519 11.119 1.632 86 HE3 LYS 13 1HE LYS 13 -2.158 9.802 2.732 87 HZ1 LYS 13 1HZ LYS 13 -1.497 9.853 -0.164 88 HZ2 LYS 13 2HZ LYS 13 -1.085 8.610 0.916 89 HZ3 LYS 13 3HZ LYS 13 -0.417 10.130 1.086 90 H SER 14 H SER 14 -4.379 4.048 1.725 91 HA SER 14 HA SER 14 -7.064 4.348 2.805 92 HB2 SER 14 2HB SER 14 -7.849 3.601 0.491 93 HB3 SER 14 1HB SER 14 -7.185 5.232 0.601 94 HG SER 14 HG SER 14 -5.370 3.217 0.036 95 HA PRO 15 HA PRO 15 -5.802 0.117 3.963 96 HB2 PRO 15 2HB PRO 15 -8.326 0.381 5.505 97 HB3 PRO 15 1HB PRO 15 -6.721 -0.109 6.062 98 HG2 PRO 15 2HG PRO 15 -7.684 2.275 6.688 99 HG3 PRO 15 1HG PRO 15 -5.975 2.079 6.257 100 HD2 PRO 15 2HD PRO 15 -8.238 3.128 4.600 101 HD3 PRO 15 1HD PRO 15 -6.570 3.730 4.750 102 H GLU 16 H GLU 16 -8.820 1.377 2.870 103 HA GLU 16 HA GLU 16 -10.221 -0.990 2.344 104 HB2 GLU 16 2HB GLU 16 -10.362 1.649 0.879 105 HB3 GLU 16 1HB GLU 16 -11.541 0.360 0.741 106 HG2 GLU 16 2HG GLU 16 -12.426 2.082 2.150 107 HG3 GLU 16 1HG GLU 16 -12.087 0.674 3.149 108 H GLU 17 H GLU 17 -7.832 0.814 0.469 109 HA GLU 17 HA GLU 17 -8.080 -0.902 -1.801 110 HB2 GLU 17 2HB GLU 17 -5.971 1.144 -1.099 111 HB3 GLU 17 1HB GLU 17 -6.010 0.245 -2.609 112 HG2 GLU 17 2HG GLU 17 -8.081 2.193 -1.624 113 HG3 GLU 17 1HG GLU 17 -6.919 2.455 -2.922 114 H CYS 18 H CYS 18 -6.145 -0.777 1.078 115 HA CYS 18 HA CYS 18 -4.276 -2.724 0.157 116 HB2 CYS 18 2HB CYS 18 -4.855 -1.733 2.944 117 HB3 CYS 18 1HB CYS 18 -3.495 -2.774 2.514 118 H LYS 19 H LYS 19 -7.411 -2.928 1.510 119 HA LYS 19 HA LYS 19 -7.238 -5.748 2.131 120 HB2 LYS 19 2HB LYS 19 -9.635 -3.974 1.615 121 HB3 LYS 19 1HB LYS 19 -9.731 -5.636 2.165 122 HG2 LYS 19 2HG LYS 19 -8.546 -4.999 4.223 123 HG3 LYS 19 1HG LYS 19 -8.516 -3.327 3.656 124 HD2 LYS 19 2HD LYS 19 -10.928 -3.250 3.623 125 HD3 LYS 19 1HD LYS 19 -11.015 -4.955 4.065 126 HE2 LYS 19 2HE LYS 19 -9.908 -4.439 6.196 127 HE3 LYS 19 1HE LYS 19 -9.861 -2.738 5.732 128 HZ1 LYS 19 1HZ LYS 19 -11.737 -3.263 7.206 129 HZ2 LYS 19 2HZ LYS 19 -12.352 -4.315 6.034 130 HZ3 LYS 19 3HZ LYS 19 -12.235 -2.675 5.717 131 H LYS 20 H LYS 20 -8.303 -3.744 -0.459 132 HA LYS 20 HA LYS 20 -9.365 -5.611 -2.260 133 HB2 LYS 20 2HB LYS 20 -9.769 -3.223 -2.292 134 HB3 LYS 20 1HB LYS 20 -8.075 -2.919 -2.584 135 HG2 LYS 20 2HG LYS 20 -8.294 -3.864 -4.822 136 HG3 LYS 20 1HG LYS 20 -10.014 -4.186 -4.512 137 HD2 LYS 20 2HD LYS 20 -10.438 -1.859 -4.121 138 HD3 LYS 20 1HD LYS 20 -8.729 -1.475 -4.251 139 HE2 LYS 20 2HE LYS 20 -8.821 -2.155 -6.619 140 HE3 LYS 20 1HE LYS 20 -10.557 -2.434 -6.441 141 HZ1 LYS 20 1HZ LYS 20 -9.255 0.164 -5.840 142 HZ2 LYS 20 2HZ LYS 20 -10.909 -0.135 -5.942 143 HZ3 LYS 20 3HZ LYS 20 -9.964 -0.176 -7.326 144 H LEU 21 H LEU 21 -6.142 -4.158 -1.984 145 HA LEU 21 HA LEU 21 -4.994 -5.812 -4.038 146 HB2 LEU 21 2HB LEU 21 -3.712 -4.008 -1.979 147 HB3 LEU 21 1HB LEU 21 -2.880 -4.753 -3.324 148 HG LEU 21 HG LEU 21 -5.070 -2.686 -3.571 149 HD11 LEU 21 1HD1 LEU 21 -3.048 -1.746 -2.598 150 HD12 LEU 21 2HD1 LEU 21 -3.277 -1.174 -4.250 151 HD13 LEU 21 3HD1 LEU 21 -2.086 -2.429 -3.909 152 HD21 LEU 21 1HD2 LEU 21 -4.973 -4.192 -5.482 153 HD22 LEU 21 2HD2 LEU 21 -3.240 -3.912 -5.630 154 HD23 LEU 21 3HD2 LEU 21 -4.374 -2.594 -5.923 155 H LYS 22 H LYS 22 -3.596 -7.503 -3.670 156 HA LYS 22 HA LYS 22 -3.682 -8.580 -0.948 157 HB2 LYS 22 2HB LYS 22 -3.288 -10.785 -1.925 158 HB3 LYS 22 1HB LYS 22 -4.777 -10.066 -2.500 159 HG2 LYS 22 2HG LYS 22 -3.752 -9.525 -4.619 160 HG3 LYS 22 1HG LYS 22 -2.186 -10.100 -4.042 161 HD2 LYS 22 2HD LYS 22 -4.665 -11.808 -4.314 162 HD3 LYS 22 1HD LYS 22 -3.347 -11.741 -5.485 163 HE2 LYS 22 2HE LYS 22 -1.781 -12.549 -3.772 164 HE3 LYS 22 1HE LYS 22 -3.083 -12.600 -2.592 165 HZ1 LYS 22 1HZ LYS 22 -2.966 -14.220 -5.069 166 HZ2 LYS 22 2HZ LYS 22 -4.169 -14.295 -3.897 167 HZ3 LYS 22 3HZ LYS 22 -2.592 -14.750 -3.522 Start of MODEL 5 1 H ASN 1 H ASN 1 -1.682 -6.558 -3.530 2 HA ASN 1 HA ASN 1 0.259 -7.865 -1.757 3 HB2 ASN 1 2HB ASN 1 0.647 -5.890 -3.994 4 HB3 ASN 1 1HB ASN 1 1.895 -6.197 -2.797 5 HD21 ASN 1 1HD2 ASN 1 3.250 -6.924 -4.404 6 HD22 ASN 1 2HD2 ASN 1 3.068 -8.470 -5.158 7 HA PRO 2 HA PRO 2 -1.098 -4.476 0.998 8 HB2 PRO 2 2HB PRO 2 0.431 -6.121 2.932 9 HB3 PRO 2 1HB PRO 2 -1.224 -5.515 3.050 10 HG2 PRO 2 2HG PRO 2 -0.742 -8.105 2.613 11 HG3 PRO 2 1HG PRO 2 -2.097 -7.277 1.826 12 HD2 PRO 2 2HD PRO 2 0.580 -8.011 0.697 13 HD3 PRO 2 1HD PRO 2 -1.030 -8.133 -0.045 14 H GLU 3 H GLU 3 2.023 -6.061 0.725 15 HA GLU 3 HA GLU 3 3.623 -4.097 1.959 16 HB2 GLU 3 2HB GLU 3 4.361 -6.030 -0.231 17 HB3 GLU 3 1HB GLU 3 5.490 -5.152 0.786 18 HG2 GLU 3 2HG GLU 3 4.732 -6.328 2.736 19 HG3 GLU 3 1HG GLU 3 3.469 -7.119 1.797 20 H ASP 4 H ASP 4 2.788 -4.666 -1.417 21 HA ASP 4 HA ASP 4 4.172 -2.399 -2.392 22 HB2 ASP 4 2HB ASP 4 2.036 -4.135 -3.616 23 HB3 ASP 4 1HB ASP 4 2.678 -2.720 -4.438 24 H CYS 5 H CYS 5 0.915 -2.960 -1.322 25 HA CYS 5 HA CYS 5 -0.262 -0.563 -2.058 26 HB2 CYS 5 2HB CYS 5 -1.534 -2.425 -1.130 27 HB3 CYS 5 1HB CYS 5 -0.717 -2.231 0.411 28 H ARG 6 H ARG 6 1.482 -1.320 0.984 29 HA ARG 6 HA ARG 6 1.236 1.325 1.971 30 HB2 ARG 6 2HB ARG 6 3.129 -0.889 2.769 31 HB3 ARG 6 1HB ARG 6 3.008 0.645 3.615 32 HG2 ARG 6 2HG ARG 6 0.648 0.150 4.129 33 HG3 ARG 6 1HG ARG 6 0.821 -1.412 3.323 34 HD2 ARG 6 2HD ARG 6 2.541 -2.061 4.909 35 HD3 ARG 6 1HD ARG 6 2.442 -0.488 5.695 36 HE ARG 6 HE ARG 6 -0.029 -1.974 5.605 37 HH11 ARG 6 1HH1 ARG 6 2.887 -1.313 7.502 38 HH12 ARG 6 2HH1 ARG 6 2.233 -1.812 8.985 39 HH21 ARG 6 1HH2 ARG 6 -0.928 -2.717 7.657 40 HH22 ARG 6 2HH2 ARG 6 0.005 -2.621 9.074 41 H GLN 7 H GLN 7 3.351 -0.118 -0.252 42 HA GLN 7 HA GLN 7 5.559 1.696 0.027 43 HB2 GLN 7 2HB GLN 7 5.737 -0.633 -0.857 44 HB3 GLN 7 1HB GLN 7 4.837 -0.123 -2.272 45 HG2 GLN 7 2HG GLN 7 6.637 1.477 -2.793 46 HG3 GLN 7 1HG GLN 7 7.556 0.845 -1.424 47 HE21 GLN 7 1HE2 GLN 7 6.458 0.264 -4.634 48 HE22 GLN 7 2HE2 GLN 7 7.355 -1.177 -4.904 49 H ASP 8 H ASP 8 2.720 1.406 -2.036 50 HA ASP 8 HA ASP 8 3.482 3.614 -3.679 51 HB2 ASP 8 2HB ASP 8 1.069 1.827 -3.620 52 HB3 ASP 8 1HB ASP 8 1.057 3.303 -4.581 53 HA PRO 9 HA PRO 9 2.194 6.916 -1.263 54 HB2 PRO 9 2HB PRO 9 1.742 8.836 -3.090 55 HB3 PRO 9 1HB PRO 9 3.357 8.208 -2.739 56 HG2 PRO 9 2HG PRO 9 1.494 7.505 -4.969 57 HG3 PRO 9 1HG PRO 9 3.236 7.831 -5.031 58 HD2 PRO 9 2HD PRO 9 2.235 5.319 -5.033 59 HD3 PRO 9 1HD PRO 9 3.782 5.729 -4.269 60 H GLU 10 H GLU 10 -0.205 6.069 -3.751 61 HA GLU 10 HA GLU 10 -2.165 7.570 -2.146 62 HB2 GLU 10 2HB GLU 10 -1.878 8.033 -4.665 63 HB3 GLU 10 1HB GLU 10 -2.600 6.454 -4.917 64 HG2 GLU 10 2HG GLU 10 -4.310 8.081 -5.190 65 HG3 GLU 10 1HG GLU 10 -4.605 7.247 -3.666 66 H ALA 11 H ALA 11 -0.922 4.581 -2.532 67 HA ALA 11 HA ALA 11 -3.428 3.163 -2.248 68 HB1 ALA 11 1HB ALA 11 -2.117 1.116 -2.386 69 HB2 ALA 11 2HB ALA 11 -0.627 2.050 -2.300 70 HB3 ALA 11 3HB ALA 11 -1.685 2.208 -3.704 71 H ASN 12 H ASN 12 -0.600 4.036 -0.337 72 HA ASN 12 HA ASN 12 -1.337 2.528 1.975 73 HB2 ASN 12 2HB ASN 12 0.483 3.603 3.123 74 HB3 ASN 12 1HB ASN 12 1.018 3.303 1.479 75 HD21 ASN 12 1HD2 ASN 12 2.012 5.170 3.431 76 HD22 ASN 12 2HD2 ASN 12 1.922 6.744 2.733 77 H LYS 13 H LYS 13 -2.818 4.927 0.624 78 HA LYS 13 HA LYS 13 -3.462 6.979 2.354 79 HB2 LYS 13 2HB LYS 13 -4.122 6.541 -0.082 80 HB3 LYS 13 1HB LYS 13 -5.429 5.573 0.567 81 HG2 LYS 13 2HG LYS 13 -6.252 7.745 -0.010 82 HG3 LYS 13 1HG LYS 13 -6.262 7.584 1.751 83 HD2 LYS 13 2HD LYS 13 -4.329 8.931 1.981 84 HD3 LYS 13 1HD LYS 13 -3.975 8.826 0.257 85 HE2 LYS 13 2HE LYS 13 -6.325 10.247 1.500 86 HE3 LYS 13 1HE LYS 13 -4.878 11.009 0.847 87 HZ1 LYS 13 1HZ LYS 13 -6.526 11.116 -0.832 88 HZ2 LYS 13 2HZ LYS 13 -6.950 9.513 -0.647 89 HZ3 LYS 13 3HZ LYS 13 -5.445 9.908 -1.314 90 H SER 14 H SER 14 -4.926 3.749 2.033 91 HA SER 14 HA SER 14 -5.824 3.823 4.749 92 HB2 SER 14 2HB SER 14 -8.143 3.154 4.047 93 HB3 SER 14 1HB SER 14 -7.734 4.810 3.590 94 HG SER 14 HG SER 14 -8.235 4.209 1.653 95 HA PRO 15 HA PRO 15 -4.721 -0.476 4.092 96 HB2 PRO 15 2HB PRO 15 -6.649 -1.346 6.120 97 HB3 PRO 15 1HB PRO 15 -4.887 -1.359 6.189 98 HG2 PRO 15 2HG PRO 15 -6.331 0.334 7.706 99 HG3 PRO 15 1HG PRO 15 -4.760 0.786 7.024 100 HD2 PRO 15 2HD PRO 15 -7.507 1.443 6.009 101 HD3 PRO 15 1HD PRO 15 -6.104 2.511 6.225 102 H GLU 16 H GLU 16 -7.821 0.700 3.696 103 HA GLU 16 HA GLU 16 -9.226 -1.647 3.006 104 HB2 GLU 16 2HB GLU 16 -10.265 0.534 3.651 105 HB3 GLU 16 1HB GLU 16 -9.772 1.177 2.096 106 HG2 GLU 16 2HG GLU 16 -11.187 -0.389 0.943 107 HG3 GLU 16 1HG GLU 16 -11.609 -1.174 2.464 108 H GLU 17 H GLU 17 -7.325 0.699 1.150 109 HA GLU 17 HA GLU 17 -7.743 -0.503 -1.386 110 HB2 GLU 17 2HB GLU 17 -6.829 1.785 -1.162 111 HB3 GLU 17 1HB GLU 17 -5.406 1.151 -0.359 112 HG2 GLU 17 2HG GLU 17 -4.743 1.654 -2.573 113 HG3 GLU 17 1HG GLU 17 -4.883 -0.092 -2.493 114 H CYS 18 H CYS 18 -5.423 -0.977 1.216 115 HA CYS 18 HA CYS 18 -3.750 -2.840 -0.088 116 HB2 CYS 18 2HB CYS 18 -4.288 -2.560 2.873 117 HB3 CYS 18 1HB CYS 18 -2.926 -3.410 2.152 118 H LYS 19 H LYS 19 -6.740 -3.204 1.609 119 HA LYS 19 HA LYS 19 -6.759 -6.079 1.740 120 HB2 LYS 19 2HB LYS 19 -7.986 -4.637 3.308 121 HB3 LYS 19 1HB LYS 19 -8.945 -4.008 1.986 122 HG2 LYS 19 2HG LYS 19 -9.878 -6.277 1.645 123 HG3 LYS 19 1HG LYS 19 -8.982 -6.815 3.071 124 HD2 LYS 19 2HD LYS 19 -10.143 -5.191 4.446 125 HD3 LYS 19 1HD LYS 19 -11.001 -4.576 3.034 126 HE2 LYS 19 2HE LYS 19 -12.024 -6.815 2.759 127 HE3 LYS 19 1HE LYS 19 -11.228 -7.323 4.250 128 HZ1 LYS 19 1HZ LYS 19 -12.440 -5.596 5.428 129 HZ2 LYS 19 2HZ LYS 19 -13.521 -6.621 4.617 130 HZ3 LYS 19 3HZ LYS 19 -13.160 -5.107 3.988 131 H LYS 20 H LYS 20 -7.627 -3.632 -0.467 132 HA LYS 20 HA LYS 20 -9.286 -5.241 -2.197 133 HB2 LYS 20 2HB LYS 20 -9.861 -2.947 -1.871 134 HB3 LYS 20 1HB LYS 20 -8.227 -2.432 -2.224 135 HG2 LYS 20 2HG LYS 20 -8.532 -3.059 -4.537 136 HG3 LYS 20 1HG LYS 20 -10.188 -3.579 -4.182 137 HD2 LYS 20 2HD LYS 20 -10.888 -1.401 -3.707 138 HD3 LYS 20 1HD LYS 20 -9.235 -0.823 -3.494 139 HE2 LYS 20 2HE LYS 20 -10.516 -1.671 -6.081 140 HE3 LYS 20 1HE LYS 20 -10.154 -0.022 -5.577 141 HZ1 LYS 20 1HZ LYS 20 -7.792 -0.709 -5.406 142 HZ2 LYS 20 2HZ LYS 20 -8.397 -0.684 -6.976 143 HZ3 LYS 20 3HZ LYS 20 -8.186 -2.163 -6.191 144 H LEU 21 H LEU 21 -6.001 -4.099 -2.053 145 HA LEU 21 HA LEU 21 -5.328 -5.215 -4.637 146 HB2 LEU 21 2HB LEU 21 -3.557 -4.058 -2.471 147 HB3 LEU 21 1HB LEU 21 -3.032 -4.494 -4.080 148 HG LEU 21 HG LEU 21 -4.927 -2.256 -3.363 149 HD11 LEU 21 1HD1 LEU 21 -2.642 -1.751 -2.787 150 HD12 LEU 21 2HD1 LEU 21 -3.136 -0.808 -4.193 151 HD13 LEU 21 3HD1 LEU 21 -2.104 -2.222 -4.399 152 HD21 LEU 21 1HD2 LEU 21 -4.805 -1.643 -5.735 153 HD22 LEU 21 2HD2 LEU 21 -5.545 -3.225 -5.501 154 HD23 LEU 21 3HD2 LEU 21 -3.873 -3.106 -6.058 155 H LYS 22 H LYS 22 -3.480 -6.782 -4.724 156 HA LYS 22 HA LYS 22 -4.025 -8.924 -2.845 157 HB2 LYS 22 2HB LYS 22 -2.297 -8.882 -5.325 158 HB3 LYS 22 1HB LYS 22 -2.657 -10.304 -4.362 159 HG2 LYS 22 2HG LYS 22 -5.035 -10.061 -4.916 160 HG3 LYS 22 1HG LYS 22 -4.644 -8.655 -5.905 161 HD2 LYS 22 2HD LYS 22 -3.199 -10.044 -7.307 162 HD3 LYS 22 1HD LYS 22 -3.606 -11.455 -6.331 163 HE2 LYS 22 2HE LYS 22 -5.948 -11.235 -6.974 164 HE3 LYS 22 1HE LYS 22 -5.567 -9.793 -7.912 165 HZ1 LYS 22 1HZ LYS 22 -4.081 -11.200 -9.272 166 HZ2 LYS 22 2HZ LYS 22 -5.705 -11.606 -9.380 167 HZ3 LYS 22 3HZ LYS 22 -4.669 -12.574 -8.468 Start of MODEL 6 1 H ASN 1 H ASN 1 -1.827 -7.284 -2.224 2 HA ASN 1 HA ASN 1 0.239 -8.742 -0.738 3 HB2 ASN 1 2HB ASN 1 0.344 -6.914 -3.152 4 HB3 ASN 1 1HB ASN 1 1.786 -7.448 -2.302 5 HD21 ASN 1 1HD2 ASN 1 2.463 -9.534 -2.539 6 HD22 ASN 1 2HD2 ASN 1 1.850 -10.575 -3.771 7 HA PRO 2 HA PRO 2 -0.369 -5.113 1.966 8 HB2 PRO 2 2HB PRO 2 1.816 -6.461 3.464 9 HB3 PRO 2 1HB PRO 2 0.252 -5.878 4.045 10 HG2 PRO 2 2HG PRO 2 0.676 -8.478 3.720 11 HG3 PRO 2 1HG PRO 2 -0.878 -7.757 3.268 12 HD2 PRO 2 2HD PRO 2 1.403 -8.581 1.515 13 HD3 PRO 2 1HD PRO 2 -0.346 -8.778 1.268 14 H GLU 3 H GLU 3 2.926 -6.350 1.387 15 HA GLU 3 HA GLU 3 4.151 -3.831 1.866 16 HB2 GLU 3 2HB GLU 3 5.270 -6.308 0.532 17 HB3 GLU 3 1HB GLU 3 6.211 -4.892 0.944 18 HG2 GLU 3 2HG GLU 3 6.581 -6.642 2.560 19 HG3 GLU 3 1HG GLU 3 5.754 -5.290 3.322 20 H ASP 4 H ASP 4 3.347 -5.630 -1.059 21 HA ASP 4 HA ASP 4 4.489 -3.783 -2.886 22 HB2 ASP 4 2HB ASP 4 3.993 -6.064 -3.592 23 HB3 ASP 4 1HB ASP 4 2.282 -5.799 -3.289 24 H CYS 5 H CYS 5 1.387 -3.986 -1.352 25 HA CYS 5 HA CYS 5 0.007 -2.098 -2.871 26 HB2 CYS 5 2HB CYS 5 -1.155 -3.602 -1.376 27 HB3 CYS 5 1HB CYS 5 -0.337 -2.907 0.015 28 H ARG 6 H ARG 6 2.491 -1.684 -0.488 29 HA ARG 6 HA ARG 6 1.719 0.962 0.308 30 HB2 ARG 6 2HB ARG 6 4.390 -0.405 0.646 31 HB3 ARG 6 1HB ARG 6 3.895 1.082 1.426 32 HG2 ARG 6 2HG ARG 6 2.764 -1.671 1.881 33 HG3 ARG 6 1HG ARG 6 3.771 -0.738 2.983 34 HD2 ARG 6 2HD ARG 6 1.909 0.998 2.967 35 HD3 ARG 6 1HD ARG 6 0.920 -0.224 2.168 36 HE ARG 6 HE ARG 6 2.185 -0.636 4.786 37 HH11 ARG 6 1HH1 ARG 6 -0.679 -1.004 2.710 38 HH12 ARG 6 2HH1 ARG 6 -1.602 -1.749 3.922 39 HH21 ARG 6 1HH2 ARG 6 0.845 -1.635 6.442 40 HH22 ARG 6 2HH2 ARG 6 -0.729 -2.116 6.070 41 H GLN 7 H GLN 7 2.852 -0.112 -2.558 42 HA GLN 7 HA GLN 7 4.819 1.789 -3.255 43 HB2 GLN 7 2HB GLN 7 4.373 -0.321 -4.497 44 HB3 GLN 7 1HB GLN 7 2.853 0.358 -5.048 45 HG2 GLN 7 2HG GLN 7 4.040 2.082 -6.272 46 HG3 GLN 7 1HG GLN 7 5.580 1.463 -5.676 47 HE21 GLN 7 1HE2 GLN 7 2.934 0.920 -7.851 48 HE22 GLN 7 2HE2 GLN 7 3.673 -0.349 -8.738 49 H ASP 8 H ASP 8 1.309 1.752 -3.452 50 HA ASP 8 HA ASP 8 1.198 4.438 -4.580 51 HB2 ASP 8 2HB ASP 8 -0.987 2.577 -3.599 52 HB3 ASP 8 1HB ASP 8 -1.309 4.239 -4.043 53 HA PRO 9 HA PRO 9 1.664 6.341 -0.507 54 HB2 PRO 9 2HB PRO 9 0.315 8.529 -2.034 55 HB3 PRO 9 1HB PRO 9 1.738 8.612 -0.989 56 HG2 PRO 9 2HG PRO 9 2.026 8.665 -3.620 57 HG3 PRO 9 1HG PRO 9 3.145 7.727 -2.618 58 HD2 PRO 9 2HD PRO 9 0.917 6.783 -4.357 59 HD3 PRO 9 1HD PRO 9 2.485 6.035 -4.013 60 H GLU 10 H GLU 10 -1.231 6.167 -2.426 61 HA GLU 10 HA GLU 10 -3.080 7.136 -0.541 62 HB2 GLU 10 2HB GLU 10 -3.523 6.905 -2.987 63 HB3 GLU 10 1HB GLU 10 -3.619 5.164 -2.767 64 HG2 GLU 10 2HG GLU 10 -5.529 5.428 -1.329 65 HG3 GLU 10 1HG GLU 10 -5.403 7.180 -1.435 66 H ALA 11 H ALA 11 -1.433 4.106 -0.747 67 HA ALA 11 HA ALA 11 -3.304 2.577 0.782 68 HB1 ALA 11 1HB ALA 11 -1.638 1.512 -0.659 69 HB2 ALA 11 2HB ALA 11 -1.483 0.969 1.012 70 HB3 ALA 11 3HB ALA 11 -0.351 2.155 0.358 71 H ASN 12 H ASN 12 -0.945 4.934 1.489 72 HA ASN 12 HA ASN 12 -0.896 4.231 4.317 73 HB2 ASN 12 2HB ASN 12 0.693 6.251 2.714 74 HB3 ASN 12 1HB ASN 12 0.771 6.135 4.467 75 HD21 ASN 12 1HD2 ASN 12 0.628 3.202 4.538 76 HD22 ASN 12 2HD2 ASN 12 2.159 2.652 3.985 77 H LYS 13 H LYS 13 -2.743 5.804 2.249 78 HA LYS 13 HA LYS 13 -3.663 7.860 4.087 79 HB2 LYS 13 2HB LYS 13 -3.399 8.499 1.713 80 HB3 LYS 13 1HB LYS 13 -4.403 7.158 1.220 81 HG2 LYS 13 2HG LYS 13 -5.553 9.341 2.925 82 HG3 LYS 13 1HG LYS 13 -5.329 9.590 1.198 83 HD2 LYS 13 2HD LYS 13 -6.698 7.554 0.776 84 HD3 LYS 13 1HD LYS 13 -6.980 7.426 2.512 85 HE2 LYS 13 2HE LYS 13 -8.078 9.603 2.509 86 HE3 LYS 13 1HE LYS 13 -7.739 9.788 0.791 87 HZ1 LYS 13 1HZ LYS 13 -9.179 7.896 0.330 88 HZ2 LYS 13 2HZ LYS 13 -10.020 9.053 1.223 89 HZ3 LYS 13 3HZ LYS 13 -9.452 7.674 1.981 90 H SER 14 H SER 14 -4.839 5.015 2.284 91 HA SER 14 HA SER 14 -6.171 4.149 4.637 92 HB2 SER 14 2HB SER 14 -8.361 3.816 3.446 93 HB3 SER 14 1HB SER 14 -7.941 5.503 3.717 94 HG SER 14 HG SER 14 -8.698 4.558 1.533 95 HA PRO 15 HA PRO 15 -4.556 0.415 2.738 96 HB2 PRO 15 2HB PRO 15 -6.041 -1.115 4.751 97 HB3 PRO 15 1HB PRO 15 -4.300 -0.933 4.542 98 HG2 PRO 15 2HG PRO 15 -5.584 0.192 6.615 99 HG3 PRO 15 1HG PRO 15 -4.193 0.960 5.837 100 HD2 PRO 15 2HD PRO 15 -7.113 1.534 5.456 101 HD3 PRO 15 1HD PRO 15 -5.746 2.655 5.696 102 H GLU 16 H GLU 16 -7.425 1.482 2.177 103 HA GLU 16 HA GLU 16 -9.068 -0.739 1.562 104 HB2 GLU 16 2HB GLU 16 -8.950 1.998 0.294 105 HB3 GLU 16 1HB GLU 16 -10.263 0.844 0.097 106 HG2 GLU 16 2HG GLU 16 -10.840 1.038 2.413 107 HG3 GLU 16 1HG GLU 16 -9.429 2.055 2.716 108 H GLU 17 H GLU 17 -6.535 1.002 -0.121 109 HA GLU 17 HA GLU 17 -6.706 -0.333 -2.592 110 HB2 GLU 17 2HB GLU 17 -4.446 1.098 -1.216 111 HB3 GLU 17 1HB GLU 17 -4.198 0.268 -2.743 112 HG2 GLU 17 2HG GLU 17 -6.156 2.497 -2.253 113 HG3 GLU 17 1HG GLU 17 -4.593 2.649 -3.061 114 H CYS 18 H CYS 18 -5.441 -1.268 0.462 115 HA CYS 18 HA CYS 18 -3.935 -3.474 -0.653 116 HB2 CYS 18 2HB CYS 18 -4.375 -2.703 2.225 117 HB3 CYS 18 1HB CYS 18 -3.173 -3.845 1.619 118 H LYS 19 H LYS 19 -7.020 -2.843 0.714 119 HA LYS 19 HA LYS 19 -7.663 -5.602 1.076 120 HB2 LYS 19 2HB LYS 19 -9.424 -3.188 0.586 121 HB3 LYS 19 1HB LYS 19 -10.063 -4.797 0.880 122 HG2 LYS 19 2HG LYS 19 -8.333 -3.242 2.800 123 HG3 LYS 19 1HG LYS 19 -10.089 -3.383 2.889 124 HD2 LYS 19 2HD LYS 19 -9.853 -5.834 3.090 125 HD3 LYS 19 1HD LYS 19 -8.101 -5.643 3.097 126 HE2 LYS 19 2HE LYS 19 -9.981 -4.418 5.106 127 HE3 LYS 19 1HE LYS 19 -9.063 -5.901 5.357 128 HZ1 LYS 19 1HZ LYS 19 -7.892 -3.212 4.870 129 HZ2 LYS 19 2HZ LYS 19 -7.034 -4.641 5.131 130 HZ3 LYS 19 3HZ LYS 19 -7.980 -4.005 6.356 131 H LYS 20 H LYS 20 -7.592 -3.383 -1.512 132 HA LYS 20 HA LYS 20 -8.784 -5.130 -3.430 133 HB2 LYS 20 2HB LYS 20 -9.033 -2.719 -3.620 134 HB3 LYS 20 1HB LYS 20 -7.301 -2.504 -3.688 135 HG2 LYS 20 2HG LYS 20 -8.641 -4.121 -5.806 136 HG3 LYS 20 1HG LYS 20 -8.815 -2.371 -5.849 137 HD2 LYS 20 2HD LYS 20 -6.195 -3.862 -5.794 138 HD3 LYS 20 1HD LYS 20 -6.952 -3.211 -7.245 139 HE2 LYS 20 2HE LYS 20 -5.997 -1.591 -4.854 140 HE3 LYS 20 1HE LYS 20 -5.204 -1.717 -6.412 141 HZ1 LYS 20 1HZ LYS 20 -7.020 -0.588 -7.453 142 HZ2 LYS 20 2HZ LYS 20 -6.487 0.316 -6.130 143 HZ3 LYS 20 3HZ LYS 20 -7.918 -0.556 -6.018 144 H LEU 21 H LEU 21 -5.431 -3.963 -2.873 145 HA LEU 21 HA LEU 21 -4.389 -6.199 -4.459 146 HB2 LEU 21 2HB LEU 21 -2.961 -3.903 -3.093 147 HB3 LEU 21 1HB LEU 21 -2.200 -5.110 -4.101 148 HG LEU 21 HG LEU 21 -4.189 -3.048 -5.036 149 HD11 LEU 21 1HD1 LEU 21 -1.202 -3.228 -5.387 150 HD12 LEU 21 2HD1 LEU 21 -2.071 -2.054 -4.397 151 HD13 LEU 21 3HD1 LEU 21 -2.258 -2.041 -6.151 152 HD21 LEU 21 1HD2 LEU 21 -4.287 -5.094 -6.370 153 HD22 LEU 21 2HD2 LEU 21 -2.537 -5.045 -6.577 154 HD23 LEU 21 3HD2 LEU 21 -3.543 -3.782 -7.285 155 H LYS 22 H LYS 22 -4.206 -8.027 -3.296 156 HA LYS 22 HA LYS 22 -4.278 -7.961 -0.430 157 HB2 LYS 22 2HB LYS 22 -3.981 -10.293 -2.305 158 HB3 LYS 22 1HB LYS 22 -4.309 -10.409 -0.587 159 HG2 LYS 22 2HG LYS 22 -6.447 -9.290 -0.885 160 HG3 LYS 22 1HG LYS 22 -6.115 -9.085 -2.606 161 HD2 LYS 22 2HD LYS 22 -6.036 -11.528 -2.865 162 HD3 LYS 22 1HD LYS 22 -6.399 -11.711 -1.148 163 HE2 LYS 22 2HE LYS 22 -8.541 -10.592 -1.474 164 HE3 LYS 22 1HE LYS 22 -8.168 -10.367 -3.183 165 HZ1 LYS 22 1HZ LYS 22 -8.456 -12.991 -1.829 166 HZ2 LYS 22 2HZ LYS 22 -8.125 -12.767 -3.449 167 HZ3 LYS 22 3HZ LYS 22 -9.613 -12.284 -2.822 Start of MODEL 7 1 H ASN 1 H ASN 1 -1.855 -7.351 -2.674 2 HA ASN 1 HA ASN 1 0.518 -8.487 -1.394 3 HB2 ASN 1 2HB ASN 1 0.255 -6.778 -3.859 4 HB3 ASN 1 1HB ASN 1 1.806 -7.079 -3.083 5 HD21 ASN 1 1HD2 ASN 1 0.832 -7.853 -5.749 6 HD22 ASN 1 2HD2 ASN 1 0.985 -9.567 -5.795 7 HA PRO 2 HA PRO 2 0.055 -4.994 1.463 8 HB2 PRO 2 2HB PRO 2 2.422 -6.411 2.575 9 HB3 PRO 2 1HB PRO 2 0.974 -5.833 3.407 10 HG2 PRO 2 2HG PRO 2 1.295 -8.421 2.928 11 HG3 PRO 2 1HG PRO 2 -0.293 -7.652 2.738 12 HD2 PRO 2 2HD PRO 2 1.657 -8.495 0.640 13 HD3 PRO 2 1HD PRO 2 -0.111 -8.581 0.653 14 H GLU 3 H GLU 3 3.141 -6.263 0.261 15 HA GLU 3 HA GLU 3 4.652 -3.920 0.648 16 HB2 GLU 3 2HB GLU 3 6.255 -4.870 -0.964 17 HB3 GLU 3 1HB GLU 3 5.726 -6.071 0.202 18 HG2 GLU 3 2HG GLU 3 4.316 -7.128 -1.412 19 HG3 GLU 3 1HG GLU 3 4.537 -5.803 -2.545 20 H ASP 4 H ASP 4 2.503 -4.894 -1.893 21 HA ASP 4 HA ASP 4 3.466 -2.937 -3.745 22 HB2 ASP 4 2HB ASP 4 2.594 -5.140 -4.483 23 HB3 ASP 4 1HB ASP 4 0.996 -4.656 -3.929 24 H CYS 5 H CYS 5 0.710 -3.265 -1.543 25 HA CYS 5 HA CYS 5 -0.335 -0.732 -2.475 26 HB2 CYS 5 2HB CYS 5 -2.136 -1.040 -0.817 27 HB3 CYS 5 1HB CYS 5 -1.933 -2.431 -1.874 28 H ARG 6 H ARG 6 2.079 -1.535 -0.413 29 HA ARG 6 HA ARG 6 1.687 0.779 1.339 30 HB2 ARG 6 2HB ARG 6 2.451 -1.441 2.231 31 HB3 ARG 6 1HB ARG 6 3.922 -1.258 1.295 32 HG2 ARG 6 2HG ARG 6 4.421 0.799 2.586 33 HG3 ARG 6 1HG ARG 6 3.010 0.456 3.596 34 HD2 ARG 6 2HD ARG 6 4.992 -0.390 4.688 35 HD3 ARG 6 1HD ARG 6 3.999 -1.742 4.141 36 HE ARG 6 HE ARG 6 6.131 -0.834 2.383 37 HH11 ARG 6 1HH1 ARG 6 5.023 -3.292 4.672 38 HH12 ARG 6 2HH1 ARG 6 6.210 -4.426 4.251 39 HH21 ARG 6 1HH2 ARG 6 7.727 -2.347 1.782 40 HH22 ARG 6 2HH2 ARG 6 7.837 -3.867 2.537 41 H GLN 7 H GLN 7 3.124 -0.132 -1.530 42 HA GLN 7 HA GLN 7 5.596 1.164 -1.676 43 HB2 GLN 7 2HB GLN 7 4.720 -0.471 -3.302 44 HB3 GLN 7 1HB GLN 7 3.611 0.753 -3.900 45 HG2 GLN 7 2HG GLN 7 5.645 2.165 -4.385 46 HG3 GLN 7 1HG GLN 7 6.603 0.720 -4.085 47 HE21 GLN 7 1HE2 GLN 7 4.350 -0.915 -5.228 48 HE22 GLN 7 2HE2 GLN 7 4.519 -0.736 -6.934 49 H ASP 8 H ASP 8 2.389 2.304 -2.676 50 HA ASP 8 HA ASP 8 3.464 4.993 -2.947 51 HB2 ASP 8 2HB ASP 8 0.878 3.767 -3.932 52 HB3 ASP 8 1HB ASP 8 1.173 5.493 -3.932 53 HA PRO 9 HA PRO 9 1.894 5.677 1.183 54 HB2 PRO 9 2HB PRO 9 2.433 8.471 0.264 55 HB3 PRO 9 1HB PRO 9 2.900 7.689 1.779 56 HG2 PRO 9 2HG PRO 9 4.697 8.083 -0.112 57 HG3 PRO 9 1HG PRO 9 4.677 6.556 0.791 58 HD2 PRO 9 2HD PRO 9 3.719 7.138 -1.978 59 HD3 PRO 9 1HD PRO 9 4.551 5.701 -1.342 60 H GLU 10 H GLU 10 0.988 7.320 -1.740 61 HA GLU 10 HA GLU 10 -1.325 8.652 -0.859 62 HB2 GLU 10 2HB GLU 10 0.021 9.022 -2.984 63 HB3 GLU 10 1HB GLU 10 -0.812 7.627 -3.643 64 HG2 GLU 10 2HG GLU 10 -1.844 9.682 -4.385 65 HG3 GLU 10 1HG GLU 10 -2.944 8.757 -3.357 66 H ALA 11 H ALA 11 -0.784 5.414 -2.165 67 HA ALA 11 HA ALA 11 -3.616 4.791 -2.106 68 HB1 ALA 11 1HB ALA 11 -2.249 3.970 -3.971 69 HB2 ALA 11 2HB ALA 11 -2.941 2.633 -3.050 70 HB3 ALA 11 3HB ALA 11 -1.245 3.068 -2.837 71 H ASN 12 H ASN 12 -0.726 4.270 -0.292 72 HA ASN 12 HA ASN 12 -1.530 2.151 1.359 73 HB2 ASN 12 2HB ASN 12 0.804 3.023 1.165 74 HB3 ASN 12 1HB ASN 12 0.309 4.429 2.097 75 HD21 ASN 12 1HD2 ASN 12 -0.613 1.044 2.624 76 HD22 ASN 12 2HD2 ASN 12 0.101 0.926 4.185 77 H LYS 13 H LYS 13 -2.149 5.587 1.508 78 HA LYS 13 HA LYS 13 -3.204 5.773 4.096 79 HB2 LYS 13 2HB LYS 13 -3.841 7.321 1.615 80 HB3 LYS 13 1HB LYS 13 -4.585 7.692 3.156 81 HG2 LYS 13 2HG LYS 13 -2.324 8.118 4.094 82 HG3 LYS 13 1HG LYS 13 -1.650 7.843 2.484 83 HD2 LYS 13 2HD LYS 13 -3.725 9.945 3.133 84 HD3 LYS 13 1HD LYS 13 -1.994 10.256 3.015 85 HE2 LYS 13 2HE LYS 13 -1.974 9.634 0.715 86 HE3 LYS 13 1HE LYS 13 -3.644 9.082 0.772 87 HZ1 LYS 13 1HZ LYS 13 -4.323 11.362 1.154 88 HZ2 LYS 13 2HZ LYS 13 -3.437 11.183 -0.273 89 HZ3 LYS 13 3HZ LYS 13 -2.714 11.891 1.079 90 H SER 14 H SER 14 -4.550 4.345 1.262 91 HA SER 14 HA SER 14 -7.143 4.254 2.561 92 HB2 SER 14 2HB SER 14 -7.948 3.425 0.293 93 HB3 SER 14 1HB SER 14 -7.354 5.083 0.330 94 HG SER 14 HG SER 14 -5.389 3.242 -0.228 95 HA PRO 15 HA PRO 15 -5.632 0.122 3.690 96 HB2 PRO 15 2HB PRO 15 -8.038 0.162 5.394 97 HB3 PRO 15 1HB PRO 15 -6.351 -0.102 5.850 98 HG2 PRO 15 2HG PRO 15 -7.617 2.155 6.485 99 HG3 PRO 15 1HG PRO 15 -5.909 2.164 6.006 100 HD2 PRO 15 2HD PRO 15 -8.335 2.847 4.395 101 HD3 PRO 15 1HD PRO 15 -6.772 3.693 4.494 102 H GLU 16 H GLU 16 -8.805 1.172 2.773 103 HA GLU 16 HA GLU 16 -10.024 -1.339 2.439 104 HB2 GLU 16 2HB GLU 16 -10.574 1.239 0.983 105 HB3 GLU 16 1HB GLU 16 -11.660 -0.143 1.086 106 HG2 GLU 16 2HG GLU 16 -11.908 0.143 3.439 107 HG3 GLU 16 1HG GLU 16 -10.690 1.413 3.463 108 H GLU 17 H GLU 17 -8.080 0.643 0.281 109 HA GLU 17 HA GLU 17 -8.419 -1.157 -1.946 110 HB2 GLU 17 2HB GLU 17 -7.951 1.350 -2.116 111 HB3 GLU 17 1HB GLU 17 -6.303 0.976 -1.631 112 HG2 GLU 17 2HG GLU 17 -6.266 1.131 -3.979 113 HG3 GLU 17 1HG GLU 17 -6.212 -0.591 -3.610 114 H CYS 18 H CYS 18 -6.016 -0.433 0.508 115 HA CYS 18 HA CYS 18 -4.000 -2.148 -0.494 116 HB2 CYS 18 2HB CYS 18 -3.584 -0.205 1.003 117 HB3 CYS 18 1HB CYS 18 -4.373 -1.061 2.308 118 H LYS 19 H LYS 19 -6.816 -2.779 1.456 119 HA LYS 19 HA LYS 19 -5.874 -5.467 2.056 120 HB2 LYS 19 2HB LYS 19 -8.517 -4.149 2.713 121 HB3 LYS 19 1HB LYS 19 -8.046 -5.762 3.216 122 HG2 LYS 19 2HG LYS 19 -6.748 -3.174 4.041 123 HG3 LYS 19 1HG LYS 19 -7.780 -4.190 5.042 124 HD2 LYS 19 2HD LYS 19 -6.086 -6.017 4.808 125 HD3 LYS 19 1HD LYS 19 -5.057 -4.883 3.935 126 HE2 LYS 19 2HE LYS 19 -4.355 -4.959 6.233 127 HE3 LYS 19 1HE LYS 19 -5.092 -3.395 5.890 128 HZ1 LYS 19 1HZ LYS 19 -6.407 -5.666 7.276 129 HZ2 LYS 19 2HZ LYS 19 -7.148 -4.197 6.941 130 HZ3 LYS 19 3HZ LYS 19 -5.852 -4.255 8.006 131 H LYS 20 H LYS 20 -7.653 -3.833 -0.330 132 HA LYS 20 HA LYS 20 -9.108 -6.099 -1.328 133 HB2 LYS 20 2HB LYS 20 -9.811 -3.771 -1.801 134 HB3 LYS 20 1HB LYS 20 -8.307 -3.493 -2.651 135 HG2 LYS 20 2HG LYS 20 -10.132 -3.813 -4.221 136 HG3 LYS 20 1HG LYS 20 -8.958 -5.115 -4.361 137 HD2 LYS 20 2HD LYS 20 -11.269 -5.938 -4.479 138 HD3 LYS 20 1HD LYS 20 -10.412 -6.595 -3.089 139 HE2 LYS 20 2HE LYS 20 -12.715 -5.934 -2.532 140 HE3 LYS 20 1HE LYS 20 -11.533 -5.008 -1.620 141 HZ1 LYS 20 1HZ LYS 20 -11.865 -3.160 -3.157 142 HZ2 LYS 20 2HZ LYS 20 -13.327 -3.612 -2.480 143 HZ3 LYS 20 3HZ LYS 20 -12.947 -4.062 -4.055 144 H LEU 21 H LEU 21 -6.110 -4.457 -1.923 145 HA LEU 21 HA LEU 21 -5.165 -6.296 -3.892 146 HB2 LEU 21 2HB LEU 21 -3.685 -4.286 -2.170 147 HB3 LEU 21 1HB LEU 21 -3.039 -5.084 -3.589 148 HG LEU 21 HG LEU 21 -5.332 -3.114 -3.586 149 HD11 LEU 21 1HD1 LEU 21 -3.328 -1.942 -3.123 150 HD12 LEU 21 2HD1 LEU 21 -3.746 -1.660 -4.811 151 HD13 LEU 21 3HD1 LEU 21 -2.461 -2.798 -4.396 152 HD21 LEU 21 1HD2 LEU 21 -5.113 -3.166 -6.016 153 HD22 LEU 21 2HD2 LEU 21 -5.551 -4.745 -5.363 154 HD23 LEU 21 3HD2 LEU 21 -3.889 -4.426 -5.870 155 H LYS 22 H LYS 22 -3.859 -8.064 -3.480 156 HA LYS 22 HA LYS 22 -3.923 -8.945 -0.711 157 HB2 LYS 22 2HB LYS 22 -4.787 -10.446 -2.510 158 HB3 LYS 22 1HB LYS 22 -3.168 -10.521 -3.187 159 HG2 LYS 22 2HG LYS 22 -2.352 -11.563 -1.132 160 HG3 LYS 22 1HG LYS 22 -3.971 -11.478 -0.445 161 HD2 LYS 22 2HD LYS 22 -4.796 -12.966 -2.186 162 HD3 LYS 22 1HD LYS 22 -3.191 -13.025 -2.918 163 HE2 LYS 22 2HE LYS 22 -2.296 -13.979 -0.844 164 HE3 LYS 22 1HE LYS 22 -3.904 -13.938 -0.137 165 HZ1 LYS 22 1HZ LYS 22 -4.656 -15.465 -1.841 166 HZ2 LYS 22 2HZ LYS 22 -3.355 -16.135 -0.987 167 HZ3 LYS 22 3HZ LYS 22 -3.116 -15.503 -2.526 Start of MODEL 8 1 H ASN 1 H ASN 1 -1.926 -6.960 -2.784 2 HA ASN 1 HA ASN 1 0.382 -8.323 -1.622 3 HB2 ASN 1 2HB ASN 1 0.176 -6.381 -3.946 4 HB3 ASN 1 1HB ASN 1 1.713 -6.874 -3.256 5 HD21 ASN 1 1HD2 ASN 1 0.697 -7.260 -5.970 6 HD22 ASN 1 2HD2 ASN 1 0.710 -8.959 -6.222 7 HA PRO 2 HA PRO 2 -0.467 -4.964 1.338 8 HB2 PRO 2 2HB PRO 2 1.751 -6.303 2.774 9 HB3 PRO 2 1HB PRO 2 0.133 -5.882 3.347 10 HG2 PRO 2 2HG PRO 2 0.746 -8.410 2.822 11 HG3 PRO 2 1HG PRO 2 -0.839 -7.751 2.372 12 HD2 PRO 2 2HD PRO 2 1.555 -8.250 0.650 13 HD3 PRO 2 1HD PRO 2 -0.163 -8.580 0.328 14 H GLU 3 H GLU 3 2.879 -6.011 0.749 15 HA GLU 3 HA GLU 3 3.991 -3.514 1.518 16 HB2 GLU 3 2HB GLU 3 5.271 -5.551 1.742 17 HB3 GLU 3 1HB GLU 3 5.172 -5.853 0.017 18 HG2 GLU 3 2HG GLU 3 6.571 -3.940 -0.425 19 HG3 GLU 3 1HG GLU 3 6.595 -3.534 1.289 20 H ASP 4 H ASP 4 2.932 -4.900 -1.447 21 HA ASP 4 HA ASP 4 4.071 -2.930 -3.165 22 HB2 ASP 4 2HB ASP 4 3.379 -5.131 -4.015 23 HB3 ASP 4 1HB ASP 4 1.708 -4.742 -3.614 24 H CYS 5 H CYS 5 0.956 -3.285 -1.557 25 HA CYS 5 HA CYS 5 -0.178 -0.911 -2.604 26 HB2 CYS 5 2HB CYS 5 -1.556 -2.657 -1.524 27 HB3 CYS 5 1HB CYS 5 -0.773 -2.323 0.017 28 H ARG 6 H ARG 6 1.772 -1.635 0.244 29 HA ARG 6 HA ARG 6 1.670 0.939 1.390 30 HB2 ARG 6 2HB ARG 6 3.725 -1.236 1.732 31 HB3 ARG 6 1HB ARG 6 3.682 0.239 2.684 32 HG2 ARG 6 2HG ARG 6 1.458 -0.380 3.508 33 HG3 ARG 6 1HG ARG 6 1.549 -1.874 2.577 34 HD2 ARG 6 2HD ARG 6 3.556 -2.513 3.843 35 HD3 ARG 6 1HD ARG 6 3.400 -1.044 4.808 36 HE ARG 6 HE ARG 6 1.115 -2.803 4.715 37 HH11 ARG 6 1HH1 ARG 6 3.986 -1.850 6.549 38 HH12 ARG 6 2HH1 ARG 6 3.428 -2.449 8.034 39 HH21 ARG 6 1HH2 ARG 6 0.355 -3.681 6.746 40 HH22 ARG 6 2HH2 ARG 6 1.301 -3.537 8.148 41 H GLN 7 H GLN 7 3.316 -0.213 -1.328 42 HA GLN 7 HA GLN 7 5.517 1.584 -1.178 43 HB2 GLN 7 2HB GLN 7 5.649 -0.566 -2.398 44 HB3 GLN 7 1HB GLN 7 4.471 0.031 -3.554 45 HG2 GLN 7 2HG GLN 7 6.019 1.769 -4.254 46 HG3 GLN 7 1HG GLN 7 7.192 1.208 -3.068 47 HE21 GLN 7 1HE2 GLN 7 8.711 0.827 -4.714 48 HE22 GLN 7 2HE2 GLN 7 8.553 -0.532 -5.770 49 H ASP 8 H ASP 8 2.265 1.796 -2.233 50 HA ASP 8 HA ASP 8 2.812 4.370 -3.492 51 HB2 ASP 8 2HB ASP 8 0.582 2.432 -3.790 52 HB3 ASP 8 1HB ASP 8 0.171 4.137 -3.898 53 HA PRO 9 HA PRO 9 1.770 6.165 0.482 54 HB2 PRO 9 2HB PRO 9 1.738 8.545 -1.322 55 HB3 PRO 9 1HB PRO 9 2.515 8.343 0.253 56 HG2 PRO 9 2HG PRO 9 3.972 8.276 -1.947 57 HG3 PRO 9 1HG PRO 9 4.289 7.129 -0.631 58 HD2 PRO 9 2HD PRO 9 2.926 6.687 -3.245 59 HD3 PRO 9 1HD PRO 9 4.010 5.618 -2.334 60 H GLU 10 H GLU 10 0.107 6.895 -2.572 61 HA GLU 10 HA GLU 10 -2.196 7.999 -1.291 62 HB2 GLU 10 2HB GLU 10 -1.527 8.686 -3.545 63 HB3 GLU 10 1HB GLU 10 -1.775 7.051 -4.126 64 HG2 GLU 10 2HG GLU 10 -4.148 7.223 -3.707 65 HG3 GLU 10 1HG GLU 10 -3.933 8.834 -3.028 66 H ALA 11 H ALA 11 -1.215 4.819 -2.236 67 HA ALA 11 HA ALA 11 -3.892 3.733 -2.060 68 HB1 ALA 11 1HB ALA 11 -2.846 1.572 -2.504 69 HB2 ALA 11 2HB ALA 11 -1.250 2.294 -2.309 70 HB3 ALA 11 3HB ALA 11 -2.274 2.780 -3.659 71 H ASN 12 H ASN 12 -0.867 3.544 -0.277 72 HA ASN 12 HA ASN 12 -1.660 1.886 1.851 73 HB2 ASN 12 2HB ASN 12 0.681 2.538 1.162 74 HB3 ASN 12 1HB ASN 12 0.393 4.086 1.912 75 HD21 ASN 12 1HD2 ASN 12 2.019 3.837 3.393 76 HD22 ASN 12 2HD2 ASN 12 1.937 2.765 4.732 77 H LYS 13 H LYS 13 -2.172 5.228 1.225 78 HA LYS 13 HA LYS 13 -2.703 6.222 3.789 79 HB2 LYS 13 2HB LYS 13 -2.377 7.564 1.678 80 HB3 LYS 13 1HB LYS 13 -3.961 7.050 1.154 81 HG2 LYS 13 2HG LYS 13 -3.548 8.621 3.687 82 HG3 LYS 13 1HG LYS 13 -3.710 9.409 2.131 83 HD2 LYS 13 2HD LYS 13 -5.933 8.285 1.880 84 HD3 LYS 13 1HD LYS 13 -5.738 7.643 3.512 85 HE2 LYS 13 2HE LYS 13 -7.115 9.627 3.591 86 HE3 LYS 13 1HE LYS 13 -5.566 9.953 4.362 87 HZ1 LYS 13 1HZ LYS 13 -6.330 10.746 1.604 88 HZ2 LYS 13 2HZ LYS 13 -4.845 11.042 2.288 89 HZ3 LYS 13 3HZ LYS 13 -6.213 11.782 2.925 90 H SER 14 H SER 14 -4.577 4.341 1.555 91 HA SER 14 HA SER 14 -6.808 4.369 3.430 92 HB2 SER 14 2HB SER 14 -8.172 3.796 1.358 93 HB3 SER 14 1HB SER 14 -7.520 5.436 1.433 94 HG SER 14 HG SER 14 -5.966 3.458 0.248 95 HA PRO 15 HA PRO 15 -5.245 0.063 3.948 96 HB2 PRO 15 2HB PRO 15 -7.669 0.192 5.694 97 HB3 PRO 15 1HB PRO 15 -6.074 -0.504 6.020 98 HG2 PRO 15 2HG PRO 15 -6.703 1.832 7.070 99 HG3 PRO 15 1HG PRO 15 -5.092 1.558 6.379 100 HD2 PRO 15 2HD PRO 15 -7.393 3.088 5.254 101 HD3 PRO 15 1HD PRO 15 -5.657 3.428 5.167 102 H GLU 16 H GLU 16 -8.463 1.186 3.185 103 HA GLU 16 HA GLU 16 -9.796 -1.126 2.451 104 HB2 GLU 16 2HB GLU 16 -10.768 1.154 2.573 105 HB3 GLU 16 1HB GLU 16 -9.886 1.595 1.123 106 HG2 GLU 16 2HG GLU 16 -12.219 1.154 0.639 107 HG3 GLU 16 1HG GLU 16 -11.172 -0.026 -0.148 108 H GLU 17 H GLU 17 -7.397 0.767 0.688 109 HA GLU 17 HA GLU 17 -7.670 -0.706 -1.734 110 HB2 GLU 17 2HB GLU 17 -5.627 1.290 -0.803 111 HB3 GLU 17 1HB GLU 17 -5.576 0.518 -2.386 112 HG2 GLU 17 2HG GLU 17 -7.793 2.234 -1.311 113 HG3 GLU 17 1HG GLU 17 -6.617 2.681 -2.553 114 H CYS 18 H CYS 18 -5.521 -0.776 1.007 115 HA CYS 18 HA CYS 18 -3.828 -2.758 -0.140 116 HB2 CYS 18 2HB CYS 18 -4.108 -1.904 2.745 117 HB3 CYS 18 1HB CYS 18 -2.825 -2.925 2.103 118 H LYS 19 H LYS 19 -6.848 -2.850 1.360 119 HA LYS 19 HA LYS 19 -6.764 -5.653 1.993 120 HB2 LYS 19 2HB LYS 19 -8.302 -4.231 3.167 121 HB3 LYS 19 1HB LYS 19 -9.052 -3.710 1.664 122 HG2 LYS 19 2HG LYS 19 -9.769 -6.073 1.311 123 HG3 LYS 19 1HG LYS 19 -9.165 -6.437 2.929 124 HD2 LYS 19 2HD LYS 19 -10.705 -4.868 3.902 125 HD3 LYS 19 1HD LYS 19 -11.242 -4.347 2.306 126 HE2 LYS 19 2HE LYS 19 -12.029 -6.640 1.864 127 HE3 LYS 19 1HE LYS 19 -11.572 -7.085 3.508 128 HZ1 LYS 19 1HZ LYS 19 -13.923 -6.543 3.282 129 HZ2 LYS 19 2HZ LYS 19 -13.516 -4.975 2.805 130 HZ3 LYS 19 3HZ LYS 19 -13.133 -5.513 4.359 131 H LYS 20 H LYS 20 -7.849 -3.634 -0.667 132 HA LYS 20 HA LYS 20 -8.965 -5.762 -2.213 133 HB2 LYS 20 2HB LYS 20 -9.822 -3.551 -2.598 134 HB3 LYS 20 1HB LYS 20 -8.211 -2.920 -2.889 135 HG2 LYS 20 2HG LYS 20 -8.091 -3.944 -5.020 136 HG3 LYS 20 1HG LYS 20 -9.492 -4.960 -4.688 137 HD2 LYS 20 2HD LYS 20 -10.013 -3.084 -6.214 138 HD3 LYS 20 1HD LYS 20 -10.954 -3.037 -4.729 139 HE2 LYS 20 2HE LYS 20 -10.257 -0.813 -5.213 140 HE3 LYS 20 1HE LYS 20 -9.316 -1.370 -3.843 141 HZ1 LYS 20 1HZ LYS 20 -7.458 -1.821 -5.466 142 HZ2 LYS 20 2HZ LYS 20 -7.923 -0.223 -5.263 143 HZ3 LYS 20 3HZ LYS 20 -8.419 -1.036 -6.644 144 H LEU 21 H LEU 21 -5.925 -3.996 -2.288 145 HA LEU 21 HA LEU 21 -4.842 -5.728 -4.330 146 HB2 LEU 21 2HB LEU 21 -3.477 -3.696 -2.545 147 HB3 LEU 21 1HB LEU 21 -2.775 -4.459 -3.954 148 HG LEU 21 HG LEU 21 -5.056 -2.481 -3.950 149 HD11 LEU 21 1HD1 LEU 21 -2.196 -2.210 -4.850 150 HD12 LEU 21 2HD1 LEU 21 -2.932 -1.448 -3.446 151 HD13 LEU 21 3HD1 LEU 21 -3.460 -1.000 -5.069 152 HD21 LEU 21 1HD2 LEU 21 -3.659 -3.827 -6.272 153 HD22 LEU 21 2HD2 LEU 21 -4.834 -2.521 -6.402 154 HD23 LEU 21 3HD2 LEU 21 -5.328 -4.087 -5.764 155 H LYS 22 H LYS 22 -4.128 -7.695 -3.776 156 HA LYS 22 HA LYS 22 -4.017 -8.291 -0.960 157 HB2 LYS 22 2HB LYS 22 -3.676 -10.190 -3.277 158 HB3 LYS 22 1HB LYS 22 -3.914 -10.635 -1.595 159 HG2 LYS 22 2HG LYS 22 -5.896 -9.312 -3.442 160 HG3 LYS 22 1HG LYS 22 -5.999 -10.918 -2.726 161 HD2 LYS 22 2HD LYS 22 -6.083 -8.304 -1.199 162 HD3 LYS 22 1HD LYS 22 -7.482 -9.272 -1.616 163 HE2 LYS 22 2HE LYS 22 -6.702 -11.082 -0.220 164 HE3 LYS 22 1HE LYS 22 -5.198 -10.223 0.111 165 HZ1 LYS 22 1HZ LYS 22 -6.410 -8.530 1.249 166 HZ2 LYS 22 2HZ LYS 22 -6.875 -9.997 1.925 167 HZ3 LYS 22 3HZ LYS 22 -7.880 -9.201 0.840 Start of MODEL 9 1 H ASN 1 H ASN 1 -1.976 -6.978 -2.077 2 HA ASN 1 HA ASN 1 0.535 -8.332 -1.634 3 HB2 ASN 1 2HB ASN 1 -0.236 -6.084 -3.524 4 HB3 ASN 1 1HB ASN 1 1.358 -6.819 -3.489 5 HD21 ASN 1 1HD2 ASN 1 1.245 -7.512 -5.612 6 HD22 ASN 1 2HD2 ASN 1 0.195 -8.781 -6.113 7 HA PRO 2 HA PRO 2 1.061 -5.251 1.650 8 HB2 PRO 2 2HB PRO 2 3.485 -6.188 2.548 9 HB3 PRO 2 1HB PRO 2 1.919 -6.840 3.043 10 HG2 PRO 2 2HG PRO 2 3.832 -7.857 0.986 11 HG3 PRO 2 1HG PRO 2 2.882 -8.764 2.175 12 HD2 PRO 2 2HD PRO 2 2.156 -8.615 -0.398 13 HD3 PRO 2 1HD PRO 2 0.953 -8.648 0.906 14 H GLU 3 H GLU 3 3.742 -6.109 -0.530 15 HA GLU 3 HA GLU 3 5.146 -3.686 0.039 16 HB2 GLU 3 2HB GLU 3 5.573 -5.672 -2.190 17 HB3 GLU 3 1HB GLU 3 6.646 -4.341 -1.797 18 HG2 GLU 3 2HG GLU 3 6.931 -5.336 0.464 19 HG3 GLU 3 1HG GLU 3 6.021 -6.735 -0.107 20 H ASP 4 H ASP 4 2.760 -4.665 -2.194 21 HA ASP 4 HA ASP 4 3.210 -2.434 -3.975 22 HB2 ASP 4 2HB ASP 4 2.266 -4.529 -4.865 23 HB3 ASP 4 1HB ASP 4 0.865 -4.335 -3.820 24 H CYS 5 H CYS 5 0.931 -3.307 -1.458 25 HA CYS 5 HA CYS 5 -0.710 -1.053 -1.513 26 HB2 CYS 5 2HB CYS 5 -1.380 -2.942 -0.215 27 HB3 CYS 5 1HB CYS 5 0.100 -2.905 0.733 28 H ARG 6 H ARG 6 2.228 -1.668 0.382 29 HA ARG 6 HA ARG 6 2.108 0.979 1.449 30 HB2 ARG 6 2HB ARG 6 3.965 -1.327 1.951 31 HB3 ARG 6 1HB ARG 6 4.194 0.257 2.688 32 HG2 ARG 6 2HG ARG 6 1.995 0.121 3.726 33 HG3 ARG 6 1HG ARG 6 1.713 -1.436 2.954 34 HD2 ARG 6 2HD ARG 6 4.006 -0.935 4.835 35 HD3 ARG 6 1HD ARG 6 2.421 -1.462 5.382 36 HE ARG 6 HE ARG 6 2.688 -3.466 4.173 37 HH11 ARG 6 1HH1 ARG 6 5.649 -1.544 4.303 38 HH12 ARG 6 2HH1 ARG 6 6.709 -2.872 4.247 39 HH21 ARG 6 1HH2 ARG 6 4.182 -5.331 4.147 40 HH22 ARG 6 2HH2 ARG 6 5.860 -5.051 4.146 41 H GLN 7 H GLN 7 3.128 -0.029 -1.437 42 HA GLN 7 HA GLN 7 5.542 1.566 -1.607 43 HB2 GLN 7 2HB GLN 7 5.288 -0.445 -3.006 44 HB3 GLN 7 1HB GLN 7 3.900 0.284 -3.792 45 HG2 GLN 7 2HG GLN 7 5.299 2.043 -4.701 46 HG3 GLN 7 1HG GLN 7 6.705 1.373 -3.877 47 HE21 GLN 7 1HE2 GLN 7 6.199 1.815 -6.725 48 HE22 GLN 7 2HE2 GLN 7 6.427 0.273 -7.456 49 H ASP 8 H ASP 8 2.175 1.784 -2.547 50 HA ASP 8 HA ASP 8 2.567 4.375 -3.741 51 HB2 ASP 8 2HB ASP 8 0.210 2.577 -3.374 52 HB3 ASP 8 1HB ASP 8 -0.054 4.271 -3.758 53 HA PRO 9 HA PRO 9 2.249 6.374 0.244 54 HB2 PRO 9 2HB PRO 9 1.754 8.723 -1.516 55 HB3 PRO 9 1HB PRO 9 2.913 8.540 -0.199 56 HG2 PRO 9 2HG PRO 9 3.741 8.491 -2.719 57 HG3 PRO 9 1HG PRO 9 4.442 7.400 -1.512 58 HD2 PRO 9 2HD PRO 9 2.452 6.813 -3.663 59 HD3 PRO 9 1HD PRO 9 3.801 5.827 -3.053 60 H GLU 10 H GLU 10 0.041 7.072 -2.450 61 HA GLU 10 HA GLU 10 -2.013 8.127 -0.802 62 HB2 GLU 10 2HB GLU 10 -1.708 8.549 -3.268 63 HB3 GLU 10 1HB GLU 10 -2.342 6.937 -3.553 64 HG2 GLU 10 2HG GLU 10 -4.098 8.535 -3.874 65 HG3 GLU 10 1HG GLU 10 -4.435 7.605 -2.414 66 H ALA 11 H ALA 11 -1.241 4.894 -1.955 67 HA ALA 11 HA ALA 11 -3.785 3.810 -1.116 68 HB1 ALA 11 1HB ALA 11 -2.622 2.910 -3.105 69 HB2 ALA 11 2HB ALA 11 -2.966 1.677 -1.894 70 HB3 ALA 11 3HB ALA 11 -1.335 2.324 -2.049 71 H ASN 12 H ASN 12 -0.567 4.099 0.147 72 HA ASN 12 HA ASN 12 -0.864 2.182 2.216 73 HB2 ASN 12 2HB ASN 12 1.340 3.142 1.390 74 HB3 ASN 12 1HB ASN 12 0.949 4.611 2.274 75 HD21 ASN 12 1HD2 ASN 12 2.743 4.390 3.655 76 HD22 ASN 12 2HD2 ASN 12 2.815 3.177 4.862 77 H LYS 13 H LYS 13 -2.034 5.315 1.756 78 HA LYS 13 HA LYS 13 -2.587 5.942 4.505 79 HB2 LYS 13 2HB LYS 13 -3.627 7.070 1.915 80 HB3 LYS 13 1HB LYS 13 -4.062 7.690 3.499 81 HG2 LYS 13 2HG LYS 13 -1.875 8.485 3.889 82 HG3 LYS 13 1HG LYS 13 -1.220 7.554 2.539 83 HD2 LYS 13 2HD LYS 13 -1.428 9.927 1.966 84 HD3 LYS 13 1HD LYS 13 -2.470 8.927 0.961 85 HE2 LYS 13 2HE LYS 13 -4.360 9.506 2.499 86 HE3 LYS 13 1HE LYS 13 -3.277 10.648 3.298 87 HZ1 LYS 13 1HZ LYS 13 -3.039 11.838 1.201 88 HZ2 LYS 13 2HZ LYS 13 -4.693 11.672 1.565 89 HZ3 LYS 13 3HZ LYS 13 -3.979 10.675 0.426 90 H SER 14 H SER 14 -4.445 4.715 1.717 91 HA SER 14 HA SER 14 -6.744 4.380 3.435 92 HB2 SER 14 2HB SER 14 -7.848 4.092 1.159 93 HB3 SER 14 1HB SER 14 -7.230 5.694 1.578 94 HG SER 14 HG SER 14 -6.448 3.944 -0.362 95 HA PRO 15 HA PRO 15 -5.749 -0.068 3.370 96 HB2 PRO 15 2HB PRO 15 -8.223 -0.152 5.003 97 HB3 PRO 15 1HB PRO 15 -6.619 -0.794 5.374 98 HG2 PRO 15 2HG PRO 15 -7.528 1.377 6.620 99 HG3 PRO 15 1HG PRO 15 -5.829 1.256 6.127 100 HD2 PRO 15 2HD PRO 15 -8.076 2.743 4.801 101 HD3 PRO 15 1HD PRO 15 -6.398 3.254 5.107 102 H GLU 16 H GLU 16 -8.389 1.689 2.270 103 HA GLU 16 HA GLU 16 -10.374 -0.062 1.473 104 HB2 GLU 16 2HB GLU 16 -10.397 2.411 1.272 105 HB3 GLU 16 1HB GLU 16 -9.286 2.284 -0.077 106 HG2 GLU 16 2HG GLU 16 -11.545 2.640 -0.852 107 HG3 GLU 16 1HG GLU 16 -10.959 1.053 -1.349 108 H GLU 17 H GLU 17 -7.668 1.069 -0.542 109 HA GLU 17 HA GLU 17 -8.009 -0.737 -2.640 110 HB2 GLU 17 2HB GLU 17 -5.621 0.841 -1.694 111 HB3 GLU 17 1HB GLU 17 -5.558 -0.184 -3.111 112 HG2 GLU 17 2HG GLU 17 -5.881 2.175 -3.675 113 HG3 GLU 17 1HG GLU 17 -7.221 1.178 -4.216 114 H CYS 18 H CYS 18 -6.178 -0.921 0.322 115 HA CYS 18 HA CYS 18 -4.719 -3.237 -0.482 116 HB2 CYS 18 2HB CYS 18 -4.908 -1.938 2.211 117 HB3 CYS 18 1HB CYS 18 -3.687 -3.101 1.682 118 H LYS 19 H LYS 19 -7.813 -2.853 0.915 119 HA LYS 19 HA LYS 19 -7.842 -5.472 2.075 120 HB2 LYS 19 2HB LYS 19 -10.117 -3.679 1.199 121 HB3 LYS 19 1HB LYS 19 -10.363 -5.228 1.991 122 HG2 LYS 19 2HG LYS 19 -9.075 -4.370 3.944 123 HG3 LYS 19 1HG LYS 19 -9.005 -2.799 3.149 124 HD2 LYS 19 2HD LYS 19 -11.544 -4.252 3.904 125 HD3 LYS 19 1HD LYS 19 -10.808 -2.956 4.839 126 HE2 LYS 19 2HE LYS 19 -11.136 -1.410 2.994 127 HE3 LYS 19 1HE LYS 19 -11.803 -2.704 1.998 128 HZ1 LYS 19 1HZ LYS 19 -12.977 -1.693 4.530 129 HZ2 LYS 19 2HZ LYS 19 -13.613 -2.926 3.571 130 HZ3 LYS 19 3HZ LYS 19 -13.539 -1.355 2.981 131 H LYS 20 H LYS 20 -8.262 -4.133 -1.028 132 HA LYS 20 HA LYS 20 -9.249 -6.588 -2.220 133 HB2 LYS 20 2HB LYS 20 -9.999 -4.371 -3.050 134 HB3 LYS 20 1HB LYS 20 -8.340 -3.981 -3.470 135 HG2 LYS 20 2HG LYS 20 -8.337 -5.837 -5.086 136 HG3 LYS 20 1HG LYS 20 -10.027 -6.158 -4.683 137 HD2 LYS 20 2HD LYS 20 -10.593 -3.861 -5.388 138 HD3 LYS 20 1HD LYS 20 -8.911 -3.617 -5.857 139 HE2 LYS 20 2HE LYS 20 -10.787 -5.678 -7.013 140 HE3 LYS 20 1HE LYS 20 -10.343 -4.156 -7.776 141 HZ1 LYS 20 1HZ LYS 20 -8.006 -4.970 -7.795 142 HZ2 LYS 20 2HZ LYS 20 -9.072 -5.873 -8.709 143 HZ3 LYS 20 3HZ LYS 20 -8.553 -6.481 -7.240 144 H LEU 21 H LEU 21 -6.385 -4.514 -2.305 145 HA LEU 21 HA LEU 21 -4.825 -6.556 -3.651 146 HB2 LEU 21 2HB LEU 21 -4.058 -3.798 -2.697 147 HB3 LEU 21 1HB LEU 21 -3.062 -4.855 -3.672 148 HG LEU 21 HG LEU 21 -5.678 -3.630 -4.549 149 HD11 LEU 21 1HD1 LEU 21 -4.275 -2.251 -6.006 150 HD12 LEU 21 2HD1 LEU 21 -2.835 -2.949 -5.261 151 HD13 LEU 21 3HD1 LEU 21 -3.936 -1.965 -4.298 152 HD21 LEU 21 1HD2 LEU 21 -5.251 -5.772 -5.634 153 HD22 LEU 21 2HD2 LEU 21 -3.629 -5.239 -6.074 154 HD23 LEU 21 3HD2 LEU 21 -5.039 -4.443 -6.773 155 H LYS 22 H LYS 22 -4.257 -8.144 -2.305 156 HA LYS 22 HA LYS 22 -3.573 -7.605 0.457 157 HB2 LYS 22 2HB LYS 22 -3.771 -10.150 -1.148 158 HB3 LYS 22 1HB LYS 22 -3.252 -10.107 0.525 159 HG2 LYS 22 2HG LYS 22 -5.912 -9.055 -0.412 160 HG3 LYS 22 1HG LYS 22 -5.662 -10.710 0.139 161 HD2 LYS 22 2HD LYS 22 -5.118 -8.231 1.793 162 HD3 LYS 22 1HD LYS 22 -6.573 -9.219 1.898 163 HE2 LYS 22 2HE LYS 22 -5.160 -11.170 2.511 164 HE3 LYS 22 1HE LYS 22 -3.747 -10.124 2.487 165 HZ1 LYS 22 1HZ LYS 22 -6.083 -9.735 4.281 166 HZ2 LYS 22 2HZ LYS 22 -4.645 -8.867 4.326 167 HZ3 LYS 22 3HZ LYS 22 -4.665 -10.494 4.718 Start of MODEL 10 1 H ASN 1 H ASN 1 -1.859 -7.503 -3.264 2 HA ASN 1 HA ASN 1 0.199 -8.503 -1.424 3 HB2 ASN 1 2HB ASN 1 0.544 -6.740 -3.855 4 HB3 ASN 1 1HB ASN 1 1.843 -7.358 -2.835 5 HD21 ASN 1 1HD2 ASN 1 2.376 -9.553 -2.995 6 HD22 ASN 1 2HD2 ASN 1 1.863 -10.507 -4.339 7 HA PRO 2 HA PRO 2 -1.349 -4.677 0.554 8 HB2 PRO 2 2HB PRO 2 -0.422 -5.291 3.067 9 HB3 PRO 2 1HB PRO 2 -1.982 -5.832 2.442 10 HG2 PRO 2 2HG PRO 2 0.594 -7.313 2.669 11 HG3 PRO 2 1HG PRO 2 -1.061 -7.895 2.904 12 HD2 PRO 2 2HD PRO 2 0.407 -8.368 0.660 13 HD3 PRO 2 1HD PRO 2 -1.364 -8.285 0.655 14 H GLU 3 H GLU 3 1.759 -6.154 1.176 15 HA GLU 3 HA GLU 3 3.068 -3.767 1.916 16 HB2 GLU 3 2HB GLU 3 5.161 -5.125 1.568 17 HB3 GLU 3 1HB GLU 3 3.996 -5.774 2.712 18 HG2 GLU 3 2HG GLU 3 3.214 -7.368 1.077 19 HG3 GLU 3 1HG GLU 3 4.281 -6.673 -0.141 20 H ASP 4 H ASP 4 2.482 -5.264 -1.172 21 HA ASP 4 HA ASP 4 4.303 -3.552 -2.579 22 HB2 ASP 4 2HB ASP 4 2.082 -5.355 -3.522 23 HB3 ASP 4 1HB ASP 4 2.917 -4.280 -4.633 24 H CYS 5 H CYS 5 0.900 -3.516 -1.796 25 HA CYS 5 HA CYS 5 0.148 -1.202 -3.167 26 HB2 CYS 5 2HB CYS 5 -1.491 -2.619 -2.056 27 HB3 CYS 5 1HB CYS 5 -0.778 -2.255 -0.498 28 H ARG 6 H ARG 6 1.825 -1.632 -0.123 29 HA ARG 6 HA ARG 6 1.685 1.069 0.723 30 HB2 ARG 6 2HB ARG 6 3.606 -1.096 1.539 31 HB3 ARG 6 1HB ARG 6 3.470 0.469 2.327 32 HG2 ARG 6 2HG ARG 6 1.156 -0.041 2.928 33 HG3 ARG 6 1HG ARG 6 1.308 -1.616 2.145 34 HD2 ARG 6 2HD ARG 6 3.161 -2.159 3.680 35 HD3 ARG 6 1HD ARG 6 2.909 -0.612 4.488 36 HE ARG 6 HE ARG 6 0.497 -2.017 4.426 37 HH11 ARG 6 1HH1 ARG 6 3.666 -2.129 6.024 38 HH12 ARG 6 2HH1 ARG 6 3.128 -2.972 7.378 39 HH21 ARG 6 1HH2 ARG 6 -0.276 -3.144 6.359 40 HH22 ARG 6 2HH2 ARG 6 0.820 -3.519 7.597 41 H GLN 7 H GLN 7 3.424 -0.240 -1.802 42 HA GLN 7 HA GLN 7 5.652 1.576 -1.600 43 HB2 GLN 7 2HB GLN 7 5.910 -0.641 -2.692 44 HB3 GLN 7 1HB GLN 7 4.738 -0.172 -3.911 45 HG2 GLN 7 2HG GLN 7 6.255 1.557 -4.720 46 HG3 GLN 7 1HG GLN 7 7.408 1.142 -3.457 47 HE21 GLN 7 1HE2 GLN 7 8.975 0.697 -5.001 48 HE22 GLN 7 2HE2 GLN 7 8.942 -0.738 -5.954 49 H ASP 8 H ASP 8 2.439 1.646 -2.617 50 HA ASP 8 HA ASP 8 2.773 4.033 -4.240 51 HB2 ASP 8 2HB ASP 8 0.497 2.153 -3.718 52 HB3 ASP 8 1HB ASP 8 0.112 3.824 -4.094 53 HA PRO 9 HA PRO 9 2.129 6.533 -0.652 54 HB2 PRO 9 2HB PRO 9 1.313 8.815 -1.853 55 HB3 PRO 9 1HB PRO 9 2.993 8.265 -1.899 56 HG2 PRO 9 2HG PRO 9 0.846 7.945 -3.967 57 HG3 PRO 9 1HG PRO 9 2.532 8.451 -4.183 58 HD2 PRO 9 2HD PRO 9 1.742 5.946 -4.698 59 HD3 PRO 9 1HD PRO 9 3.334 6.306 -3.999 60 H GLU 10 H GLU 10 -0.306 5.516 -2.729 61 HA GLU 10 HA GLU 10 -2.445 6.972 -1.538 62 HB2 GLU 10 2HB GLU 10 -2.407 6.104 -3.907 63 HB3 GLU 10 1HB GLU 10 -2.629 4.487 -3.258 64 HG2 GLU 10 2HG GLU 10 -4.693 5.589 -4.111 65 HG3 GLU 10 1HG GLU 10 -4.788 5.034 -2.439 66 H ALA 11 H ALA 11 -0.590 4.318 -0.617 67 HA ALA 11 HA ALA 11 -2.488 2.817 0.880 68 HB1 ALA 11 1HB ALA 11 -0.343 1.892 0.163 69 HB2 ALA 11 2HB ALA 11 -0.512 1.803 1.918 70 HB3 ALA 11 3HB ALA 11 0.505 3.046 1.189 71 H ASN 12 H ASN 12 -0.883 5.757 1.346 72 HA ASN 12 HA ASN 12 -0.785 5.961 4.159 73 HB2 ASN 12 2HB ASN 12 0.530 7.442 2.754 74 HB3 ASN 12 1HB ASN 12 -0.926 8.095 2.023 75 HD21 ASN 12 1HD2 ASN 12 1.080 8.049 4.841 76 HD22 ASN 12 2HD2 ASN 12 0.408 9.451 5.584 77 H LYS 13 H LYS 13 -3.357 6.434 1.878 78 HA LYS 13 HA LYS 13 -4.885 7.870 3.870 79 HB2 LYS 13 2HB LYS 13 -5.341 7.475 0.932 80 HB3 LYS 13 1HB LYS 13 -6.656 7.985 1.972 81 HG2 LYS 13 2HG LYS 13 -5.686 9.934 0.958 82 HG3 LYS 13 1HG LYS 13 -5.313 9.945 2.670 83 HD2 LYS 13 2HD LYS 13 -3.363 10.669 1.449 84 HD3 LYS 13 1HD LYS 13 -3.038 9.072 2.122 85 HE2 LYS 13 2HE LYS 13 -2.215 9.227 -0.164 86 HE3 LYS 13 1HE LYS 13 -3.531 8.066 -0.054 87 HZ1 LYS 13 1HZ LYS 13 -3.727 10.845 -1.095 88 HZ2 LYS 13 2HZ LYS 13 -5.032 9.782 -0.886 89 HZ3 LYS 13 3HZ LYS 13 -3.841 9.400 -1.986 90 H SER 14 H SER 14 -6.170 5.425 1.638 91 HA SER 14 HA SER 14 -7.321 4.242 4.039 92 HB2 SER 14 2HB SER 14 -9.170 3.419 2.536 93 HB3 SER 14 1HB SER 14 -9.100 5.171 2.731 94 HG SER 14 HG SER 14 -7.644 4.115 0.631 95 HA PRO 15 HA PRO 15 -4.691 0.809 2.936 96 HB2 PRO 15 2HB PRO 15 -5.422 -0.800 5.019 97 HB3 PRO 15 1HB PRO 15 -4.271 0.531 5.172 98 HG2 PRO 15 2HG PRO 15 -7.174 0.447 5.880 99 HG3 PRO 15 1HG PRO 15 -5.828 1.194 6.758 100 HD2 PRO 15 2HD PRO 15 -7.567 2.585 5.236 101 HD3 PRO 15 1HD PRO 15 -5.877 3.081 5.459 102 H GLU 16 H GLU 16 -8.048 0.912 2.895 103 HA GLU 16 HA GLU 16 -8.791 -1.710 2.360 104 HB2 GLU 16 2HB GLU 16 -9.956 0.844 1.248 105 HB3 GLU 16 1HB GLU 16 -10.654 -0.733 0.932 106 HG2 GLU 16 2HG GLU 16 -11.901 0.301 2.673 107 HG3 GLU 16 1HG GLU 16 -10.970 -1.004 3.390 108 H GLU 17 H GLU 17 -7.261 0.638 0.294 109 HA GLU 17 HA GLU 17 -7.487 -0.736 -2.158 110 HB2 GLU 17 2HB GLU 17 -5.236 1.037 -1.183 111 HB3 GLU 17 1HB GLU 17 -5.521 0.577 -2.851 112 HG2 GLU 17 2HG GLU 17 -7.289 2.288 -1.122 113 HG3 GLU 17 1HG GLU 17 -6.296 2.815 -2.481 114 H CYS 18 H CYS 18 -5.246 -0.923 0.497 115 HA CYS 18 HA CYS 18 -3.405 -2.640 -0.812 116 HB2 CYS 18 2HB CYS 18 -3.635 -1.882 2.092 117 HB3 CYS 18 1HB CYS 18 -2.245 -2.649 1.322 118 H LYS 19 H LYS 19 -6.198 -3.062 1.215 119 HA LYS 19 HA LYS 19 -5.534 -5.866 1.433 120 HB2 LYS 19 2HB LYS 19 -7.972 -4.441 2.486 121 HB3 LYS 19 1HB LYS 19 -7.575 -6.123 2.796 122 HG2 LYS 19 2HG LYS 19 -6.143 -3.661 3.794 123 HG3 LYS 19 1HG LYS 19 -6.955 -4.904 4.740 124 HD2 LYS 19 2HD LYS 19 -4.380 -5.225 3.166 125 HD3 LYS 19 1HD LYS 19 -4.533 -5.140 4.914 126 HE2 LYS 19 2HE LYS 19 -5.696 -7.310 3.168 127 HE3 LYS 19 1HE LYS 19 -4.188 -7.440 4.060 128 HZ1 LYS 19 1HZ LYS 19 -5.418 -7.213 6.118 129 HZ2 LYS 19 2HZ LYS 19 -6.038 -8.491 5.208 130 HZ3 LYS 19 3HZ LYS 19 -6.870 -7.037 5.275 131 H LYS 20 H LYS 20 -7.347 -3.834 -0.606 132 HA LYS 20 HA LYS 20 -8.966 -5.870 -1.753 133 HB2 LYS 20 2HB LYS 20 -9.566 -3.518 -2.067 134 HB3 LYS 20 1HB LYS 20 -8.033 -3.203 -2.860 135 HG2 LYS 20 2HG LYS 20 -9.880 -3.334 -4.465 136 HG3 LYS 20 1HG LYS 20 -8.682 -4.597 -4.735 137 HD2 LYS 20 2HD LYS 20 -10.110 -6.210 -3.578 138 HD3 LYS 20 1HD LYS 20 -11.305 -4.948 -3.279 139 HE2 LYS 20 2HE LYS 20 -11.954 -6.324 -5.184 140 HE3 LYS 20 1HE LYS 20 -11.613 -4.674 -5.683 141 HZ1 LYS 20 1HZ LYS 20 -9.529 -5.345 -6.569 142 HZ2 LYS 20 2HZ LYS 20 -10.683 -6.416 -7.162 143 HZ3 LYS 20 3HZ LYS 20 -9.657 -6.898 -5.938 144 H LEU 21 H LEU 21 -5.829 -4.470 -2.452 145 HA LEU 21 HA LEU 21 -5.235 -6.275 -4.577 146 HB2 LEU 21 2HB LEU 21 -3.467 -4.608 -2.775 147 HB3 LEU 21 1HB LEU 21 -2.861 -5.537 -4.126 148 HG LEU 21 HG LEU 21 -4.801 -3.226 -4.336 149 HD11 LEU 21 1HD1 LEU 21 -2.907 -2.052 -5.374 150 HD12 LEU 21 2HD1 LEU 21 -1.850 -3.400 -4.938 151 HD13 LEU 21 3HD1 LEU 21 -2.631 -2.437 -3.682 152 HD21 LEU 21 1HD2 LEU 21 -3.397 -4.853 -6.449 153 HD22 LEU 21 2HD2 LEU 21 -4.330 -3.390 -6.741 154 HD23 LEU 21 3HD2 LEU 21 -5.130 -4.831 -6.118 155 H LYS 22 H LYS 22 -3.705 -8.062 -4.382 156 HA LYS 22 HA LYS 22 -4.170 -9.472 -1.904 157 HB2 LYS 22 2HB LYS 22 -4.384 -10.629 -4.105 158 HB3 LYS 22 1HB LYS 22 -2.666 -10.382 -4.369 159 HG2 LYS 22 2HG LYS 22 -3.140 -12.659 -3.633 160 HG3 LYS 22 1HG LYS 22 -2.148 -11.801 -2.459 161 HD2 LYS 22 2HD LYS 22 -3.873 -13.088 -1.321 162 HD3 LYS 22 1HD LYS 22 -4.153 -11.370 -1.087 163 HE2 LYS 22 2HE LYS 22 -5.842 -11.442 -2.915 164 HE3 LYS 22 1HE LYS 22 -5.583 -13.184 -3.038 165 HZ1 LYS 22 1HZ LYS 22 -6.297 -13.367 -0.717 166 HZ2 LYS 22 2HZ LYS 22 -7.497 -12.708 -1.686 167 HZ3 LYS 22 3HZ LYS 22 -6.601 -11.709 -0.685 Start of MODEL 11 1 H ASN 1 H ASN 1 -1.224 -7.496 -2.850 2 HA ASN 1 HA ASN 1 0.070 -8.486 -0.425 3 HB2 ASN 1 2HB ASN 1 1.347 -7.466 -2.953 4 HB3 ASN 1 1HB ASN 1 2.230 -7.651 -1.445 5 HD21 ASN 1 1HD2 ASN 1 2.549 -9.720 -0.625 6 HD22 ASN 1 2HD2 ASN 1 2.439 -11.125 -1.620 7 HA PRO 2 HA PRO 2 -0.967 -4.316 1.010 8 HB2 PRO 2 2HB PRO 2 0.441 -5.513 3.349 9 HB3 PRO 2 1HB PRO 2 -1.058 -4.582 3.301 10 HG2 PRO 2 2HG PRO 2 -1.129 -7.210 3.619 11 HG3 PRO 2 1HG PRO 2 -2.315 -6.402 2.573 12 HD2 PRO 2 2HD PRO 2 0.096 -8.002 1.843 13 HD3 PRO 2 1HD PRO 2 -1.489 -7.930 1.053 14 H GLU 3 H GLU 3 2.128 -6.045 1.198 15 HA GLU 3 HA GLU 3 3.664 -3.707 1.735 16 HB2 GLU 3 2HB GLU 3 4.477 -5.971 2.277 17 HB3 GLU 3 1HB GLU 3 4.550 -6.355 0.566 18 HG2 GLU 3 2HG GLU 3 6.302 -4.740 0.242 19 HG3 GLU 3 1HG GLU 3 6.153 -4.198 1.911 20 H ASP 4 H ASP 4 2.584 -5.285 -1.183 21 HA ASP 4 HA ASP 4 4.152 -3.616 -2.961 22 HB2 ASP 4 2HB ASP 4 3.268 -5.933 -3.556 23 HB3 ASP 4 1HB ASP 4 1.668 -5.213 -3.643 24 H CYS 5 H CYS 5 1.070 -3.615 -1.467 25 HA CYS 5 HA CYS 5 -0.171 -1.471 -2.823 26 HB2 CYS 5 2HB CYS 5 -1.363 -3.071 -1.337 27 HB3 CYS 5 1HB CYS 5 -0.508 -2.401 0.043 28 H ARG 6 H ARG 6 2.094 -1.678 -0.160 29 HA ARG 6 HA ARG 6 1.901 0.984 0.769 30 HB2 ARG 6 2HB ARG 6 2.712 -1.077 2.007 31 HB3 ARG 6 1HB ARG 6 4.213 -0.923 1.117 32 HG2 ARG 6 2HG ARG 6 4.375 -0.009 3.377 33 HG3 ARG 6 1HG ARG 6 4.629 1.238 2.151 34 HD2 ARG 6 2HD ARG 6 3.157 1.928 4.057 35 HD3 ARG 6 1HD ARG 6 2.425 2.106 2.465 36 HE ARG 6 HE ARG 6 1.905 -0.301 4.054 37 HH11 ARG 6 1HH1 ARG 6 0.686 2.729 2.739 38 HH12 ARG 6 2HH1 ARG 6 -0.953 2.287 2.820 39 HH21 ARG 6 1HH2 ARG 6 -0.373 -0.922 4.177 40 HH22 ARG 6 2HH2 ARG 6 -1.557 0.196 3.677 41 H GLN 7 H GLN 7 3.178 -0.221 -2.034 42 HA GLN 7 HA GLN 7 5.577 1.219 -2.451 43 HB2 GLN 7 2HB GLN 7 4.652 -0.782 -3.736 44 HB3 GLN 7 1HB GLN 7 3.555 0.334 -4.505 45 HG2 GLN 7 2HG GLN 7 5.413 1.508 -5.519 46 HG3 GLN 7 1HG GLN 7 6.550 0.436 -4.696 47 HE21 GLN 7 1HE2 GLN 7 6.653 -1.751 -5.335 48 HE22 GLN 7 2HE2 GLN 7 6.054 -2.279 -6.859 49 H ASP 8 H ASP 8 2.192 1.935 -2.851 50 HA ASP 8 HA ASP 8 2.727 4.545 -4.051 51 HB2 ASP 8 2HB ASP 8 0.187 2.973 -3.636 52 HB3 ASP 8 1HB ASP 8 0.171 4.663 -4.108 53 HA PRO 9 HA PRO 9 2.079 6.361 0.042 54 HB2 PRO 9 2HB PRO 9 1.768 8.898 -1.411 55 HB3 PRO 9 1HB PRO 9 2.987 8.454 -0.215 56 HG2 PRO 9 2HG PRO 9 3.600 8.757 -2.808 57 HG3 PRO 9 1HG PRO 9 4.397 7.547 -1.790 58 HD2 PRO 9 2HD PRO 9 2.200 7.183 -3.792 59 HD3 PRO 9 1HD PRO 9 3.641 6.178 -3.482 60 H GLU 10 H GLU 10 0.167 6.551 -2.736 61 HA GLU 10 HA GLU 10 -2.159 7.912 -1.917 62 HB2 GLU 10 2HB GLU 10 -1.535 7.169 -4.236 63 HB3 GLU 10 1HB GLU 10 -1.954 5.530 -3.765 64 HG2 GLU 10 2HG GLU 10 -3.759 6.477 -5.010 65 HG3 GLU 10 1HG GLU 10 -4.260 6.316 -3.326 66 H ALA 11 H ALA 11 -0.957 4.667 -1.442 67 HA ALA 11 HA ALA 11 -3.424 3.648 -0.372 68 HB1 ALA 11 1HB ALA 11 -0.699 2.408 -0.598 69 HB2 ALA 11 2HB ALA 11 -2.008 2.267 -1.771 70 HB3 ALA 11 3HB ALA 11 -2.189 1.573 -0.158 71 H ASN 12 H ASN 12 -1.107 5.606 0.861 72 HA ASN 12 HA ASN 12 -0.959 4.309 3.444 73 HB2 ASN 12 2HB ASN 12 0.051 7.045 2.618 74 HB3 ASN 12 1HB ASN 12 0.337 6.301 4.184 75 HD21 ASN 12 1HD2 ASN 12 2.286 7.217 2.356 76 HD22 ASN 12 2HD2 ASN 12 3.231 5.848 1.873 77 H LYS 13 H LYS 13 -3.062 6.159 1.785 78 HA LYS 13 HA LYS 13 -4.113 7.772 3.913 79 HB2 LYS 13 2HB LYS 13 -5.259 7.049 1.225 80 HB3 LYS 13 1HB LYS 13 -5.925 8.250 2.316 81 HG2 LYS 13 2HG LYS 13 -3.954 9.620 2.071 82 HG3 LYS 13 1HG LYS 13 -3.195 8.383 1.064 83 HD2 LYS 13 2HD LYS 13 -4.986 8.629 -0.582 84 HD3 LYS 13 1HD LYS 13 -5.739 9.860 0.431 85 HE2 LYS 13 2HE LYS 13 -3.824 11.295 0.171 86 HE3 LYS 13 1HE LYS 13 -2.984 10.046 -0.753 87 HZ1 LYS 13 1HZ LYS 13 -4.671 10.182 -2.430 88 HZ2 LYS 13 2HZ LYS 13 -3.966 11.697 -2.204 89 HZ3 LYS 13 3HZ LYS 13 -5.504 11.379 -1.585 90 H SER 14 H SER 14 -4.879 4.647 2.419 91 HA SER 14 HA SER 14 -6.631 4.111 4.626 92 HB2 SER 14 2HB SER 14 -8.392 3.297 2.963 93 HB3 SER 14 1HB SER 14 -8.220 5.041 3.142 94 HG SER 14 HG SER 14 -6.988 3.502 1.042 95 HA PRO 15 HA PRO 15 -4.983 0.021 3.598 96 HB2 PRO 15 2HB PRO 15 -6.896 -1.330 5.240 97 HB3 PRO 15 1HB PRO 15 -5.254 -0.867 5.684 98 HG2 PRO 15 2HG PRO 15 -7.520 0.210 6.839 99 HG3 PRO 15 1HG PRO 15 -5.940 1.006 6.794 100 HD2 PRO 15 2HD PRO 15 -8.310 1.401 5.004 101 HD3 PRO 15 1HD PRO 15 -7.234 2.618 5.734 102 H GLU 16 H GLU 16 -7.719 1.227 2.601 103 HA GLU 16 HA GLU 16 -9.565 -0.753 1.990 104 HB2 GLU 16 2HB GLU 16 -9.916 1.680 1.996 105 HB3 GLU 16 1HB GLU 16 -8.952 1.798 0.543 106 HG2 GLU 16 2HG GLU 16 -10.586 0.501 -0.677 107 HG3 GLU 16 1HG GLU 16 -11.541 0.311 0.795 108 H GLU 17 H GLU 17 -7.118 0.736 -0.103 109 HA GLU 17 HA GLU 17 -7.612 -1.114 -2.182 110 HB2 GLU 17 2HB GLU 17 -5.429 -0.163 -3.171 111 HB3 GLU 17 1HB GLU 17 -6.802 0.910 -3.021 112 HG2 GLU 17 2HG GLU 17 -4.630 0.819 -0.948 113 HG3 GLU 17 1HG GLU 17 -4.496 1.813 -2.396 114 H CYS 18 H CYS 18 -5.511 -1.055 0.514 115 HA CYS 18 HA CYS 18 -3.793 -3.104 -0.409 116 HB2 CYS 18 2HB CYS 18 -4.353 -2.206 2.425 117 HB3 CYS 18 1HB CYS 18 -3.026 -3.256 1.937 118 H LYS 19 H LYS 19 -6.896 -3.114 1.157 119 HA LYS 19 HA LYS 19 -6.895 -5.951 1.690 120 HB2 LYS 19 2HB LYS 19 -9.179 -3.974 1.556 121 HB3 LYS 19 1HB LYS 19 -9.322 -5.628 2.124 122 HG2 LYS 19 2HG LYS 19 -7.660 -3.463 3.400 123 HG3 LYS 19 1HG LYS 19 -9.239 -4.009 3.958 124 HD2 LYS 19 2HD LYS 19 -8.311 -6.251 4.348 125 HD3 LYS 19 1HD LYS 19 -6.734 -5.682 3.797 126 HE2 LYS 19 2HE LYS 19 -6.694 -4.044 5.618 127 HE3 LYS 19 1HE LYS 19 -8.268 -4.621 6.159 128 HZ1 LYS 19 1HZ LYS 19 -7.287 -6.783 6.604 129 HZ2 LYS 19 2HZ LYS 19 -6.429 -5.601 7.440 130 HZ3 LYS 19 3HZ LYS 19 -5.803 -6.250 6.031 131 H LYS 20 H LYS 20 -7.643 -3.890 -0.923 132 HA LYS 20 HA LYS 20 -9.184 -5.827 -2.403 133 HB2 LYS 20 2HB LYS 20 -9.722 -3.468 -2.618 134 HB3 LYS 20 1HB LYS 20 -8.082 -3.114 -3.124 135 HG2 LYS 20 2HG LYS 20 -8.411 -4.160 -5.229 136 HG3 LYS 20 1HG LYS 20 -9.942 -4.862 -4.711 137 HD2 LYS 20 2HD LYS 20 -10.279 -2.906 -6.171 138 HD3 LYS 20 1HD LYS 20 -10.941 -2.645 -4.563 139 HE2 LYS 20 2HE LYS 20 -8.901 -1.367 -3.980 140 HE3 LYS 20 1HE LYS 20 -8.321 -1.588 -5.632 141 HZ1 LYS 20 1HZ LYS 20 -10.837 -0.192 -4.879 142 HZ2 LYS 20 2HZ LYS 20 -10.224 -0.350 -6.437 143 HZ3 LYS 20 3HZ LYS 20 -9.394 0.547 -5.297 144 H LEU 21 H LEU 21 -5.934 -4.667 -2.278 145 HA LEU 21 HA LEU 21 -5.053 -6.210 -4.544 146 HB2 LEU 21 2HB LEU 21 -3.553 -4.639 -2.449 147 HB3 LEU 21 1HB LEU 21 -2.805 -5.416 -3.830 148 HG LEU 21 HG LEU 21 -4.852 -3.206 -4.013 149 HD11 LEU 21 1HD1 LEU 21 -2.953 -1.805 -4.715 150 HD12 LEU 21 2HD1 LEU 21 -1.852 -3.117 -4.268 151 HD13 LEU 21 3HD1 LEU 21 -2.844 -2.338 -3.042 152 HD21 LEU 21 1HD2 LEU 21 -3.116 -4.522 -6.100 153 HD22 LEU 21 2HD2 LEU 21 -4.110 -3.093 -6.353 154 HD23 LEU 21 3HD2 LEU 21 -4.875 -4.633 -5.970 155 H LYS 22 H LYS 22 -3.133 -7.691 -4.141 156 HA LYS 22 HA LYS 22 -3.940 -9.575 -2.071 157 HB2 LYS 22 2HB LYS 22 -1.972 -9.806 -4.318 158 HB3 LYS 22 1HB LYS 22 -2.229 -11.071 -3.150 159 HG2 LYS 22 2HG LYS 22 -4.371 -9.975 -4.974 160 HG3 LYS 22 1HG LYS 22 -3.424 -11.425 -5.300 161 HD2 LYS 22 2HD LYS 22 -5.281 -11.005 -2.945 162 HD3 LYS 22 1HD LYS 22 -5.615 -11.991 -4.368 163 HE2 LYS 22 2HE LYS 22 -3.701 -13.439 -3.796 164 HE3 LYS 22 1HE LYS 22 -3.414 -12.463 -2.361 165 HZ1 LYS 22 1HZ LYS 22 -4.611 -14.438 -1.813 166 HZ2 LYS 22 2HZ LYS 22 -5.834 -14.086 -2.905 167 HZ3 LYS 22 3HZ LYS 22 -5.609 -13.118 -1.537 Start of MODEL 12 1 H ASN 1 H ASN 1 -1.712 -6.404 -1.574 2 HA ASN 1 HA ASN 1 0.515 -8.220 -2.017 3 HB2 ASN 1 2HB ASN 1 -0.064 -5.757 -3.710 4 HB3 ASN 1 1HB ASN 1 1.479 -6.598 -3.712 5 HD21 ASN 1 1HD2 ASN 1 -1.757 -6.548 -4.879 6 HD22 ASN 1 2HD2 ASN 1 -1.619 -7.901 -5.942 7 HA PRO 2 HA PRO 2 1.045 -5.655 1.684 8 HB2 PRO 2 2HB PRO 2 3.556 -7.267 1.664 9 HB3 PRO 2 1HB PRO 2 2.456 -6.914 3.004 10 HG2 PRO 2 2HG PRO 2 2.371 -9.283 1.840 11 HG3 PRO 2 1HG PRO 2 0.867 -8.446 2.270 12 HD2 PRO 2 2HD PRO 2 2.159 -8.769 -0.394 13 HD3 PRO 2 1HD PRO 2 0.433 -8.806 0.037 14 H GLU 3 H GLU 3 3.881 -6.308 -0.374 15 HA GLU 3 HA GLU 3 5.250 -3.978 0.557 16 HB2 GLU 3 2HB GLU 3 6.261 -6.158 -0.360 17 HB3 GLU 3 1HB GLU 3 5.884 -5.513 -1.948 18 HG2 GLU 3 2HG GLU 3 8.190 -5.096 -1.413 19 HG3 GLU 3 1HG GLU 3 7.304 -3.571 -1.484 20 H ASP 4 H ASP 4 3.282 -4.804 -2.205 21 HA ASP 4 HA ASP 4 3.843 -2.472 -3.724 22 HB2 ASP 4 2HB ASP 4 1.580 -4.446 -3.901 23 HB3 ASP 4 1HB ASP 4 1.732 -3.074 -4.985 24 H CYS 5 H CYS 5 1.248 -3.310 -1.474 25 HA CYS 5 HA CYS 5 -0.231 -0.952 -1.783 26 HB2 CYS 5 2HB CYS 5 -1.252 -2.698 -0.497 27 HB3 CYS 5 1HB CYS 5 0.103 -2.749 0.632 28 H ARG 6 H ARG 6 2.411 -1.715 0.431 29 HA ARG 6 HA ARG 6 2.381 0.808 1.709 30 HB2 ARG 6 2HB ARG 6 3.221 -1.282 2.732 31 HB3 ARG 6 1HB ARG 6 4.571 -1.272 1.613 32 HG2 ARG 6 2HG ARG 6 5.345 0.838 2.580 33 HG3 ARG 6 1HG ARG 6 3.982 0.813 3.696 34 HD2 ARG 6 2HD ARG 6 6.165 -1.255 3.529 35 HD3 ARG 6 1HD ARG 6 6.025 -0.004 4.760 36 HE ARG 6 HE ARG 6 3.981 -2.091 4.383 37 HH11 ARG 6 1HH1 ARG 6 6.045 -0.185 6.556 38 HH12 ARG 6 2HH1 ARG 6 5.544 -1.017 7.951 39 HH21 ARG 6 1HH2 ARG 6 3.288 -3.184 6.278 40 HH22 ARG 6 2HH2 ARG 6 3.906 -2.751 7.801 41 H GLN 7 H GLN 7 3.632 -0.252 -1.268 42 HA GLN 7 HA GLN 7 5.841 1.535 -1.470 43 HB2 GLN 7 2HB GLN 7 5.611 -0.549 -2.826 44 HB3 GLN 7 1HB GLN 7 4.288 0.206 -3.703 45 HG2 GLN 7 2HG GLN 7 6.358 0.326 -4.971 46 HG3 GLN 7 1HG GLN 7 5.806 1.939 -4.510 47 HE21 GLN 7 1HE2 GLN 7 8.185 -0.504 -3.996 48 HE22 GLN 7 2HE2 GLN 7 9.278 0.471 -3.082 49 H ASP 8 H ASP 8 2.459 1.664 -2.371 50 HA ASP 8 HA ASP 8 2.837 4.326 -3.493 51 HB2 ASP 8 2HB ASP 8 0.608 2.339 -3.667 52 HB3 ASP 8 1HB ASP 8 0.273 4.041 -3.954 53 HA PRO 9 HA PRO 9 1.779 6.027 0.524 54 HB2 PRO 9 2HB PRO 9 1.541 8.455 -1.188 55 HB3 PRO 9 1HB PRO 9 2.416 8.236 0.331 56 HG2 PRO 9 2HG PRO 9 3.738 8.331 -1.968 57 HG3 PRO 9 1HG PRO 9 4.212 7.187 -0.699 58 HD2 PRO 9 2HD PRO 9 2.729 6.674 -3.246 59 HD3 PRO 9 1HD PRO 9 3.935 5.680 -2.410 60 H GLU 10 H GLU 10 -0.019 6.486 -2.450 61 HA GLU 10 HA GLU 10 -2.393 7.475 -1.177 62 HB2 GLU 10 2HB GLU 10 -1.831 7.903 -3.569 63 HB3 GLU 10 1HB GLU 10 -2.067 6.199 -3.901 64 HG2 GLU 10 2HG GLU 10 -4.005 7.475 -4.604 65 HG3 GLU 10 1HG GLU 10 -4.423 6.390 -3.282 66 H ALA 11 H ALA 11 -1.402 4.332 -2.516 67 HA ALA 11 HA ALA 11 -3.822 2.984 -1.929 68 HB1 ALA 11 1HB ALA 11 -2.234 2.230 -3.661 69 HB2 ALA 11 2HB ALA 11 -2.642 0.955 -2.512 70 HB3 ALA 11 3HB ALA 11 -1.094 1.789 -2.389 71 H ASN 12 H ASN 12 -0.786 3.304 -0.235 72 HA ASN 12 HA ASN 12 -1.296 1.425 1.816 73 HB2 ASN 12 2HB ASN 12 0.950 2.338 1.206 74 HB3 ASN 12 1HB ASN 12 0.481 3.871 1.919 75 HD21 ASN 12 1HD2 ASN 12 2.103 3.812 3.435 76 HD22 ASN 12 2HD2 ASN 12 2.086 2.747 4.785 77 H LYS 13 H LYS 13 -2.217 4.728 1.334 78 HA LYS 13 HA LYS 13 -2.864 5.228 4.086 79 HB2 LYS 13 2HB LYS 13 -2.124 7.008 2.507 80 HB3 LYS 13 1HB LYS 13 -3.627 6.804 1.624 81 HG2 LYS 13 2HG LYS 13 -3.782 8.737 3.048 82 HG3 LYS 13 1HG LYS 13 -4.868 7.482 3.650 83 HD2 LYS 13 2HD LYS 13 -3.234 6.864 5.350 84 HD3 LYS 13 1HD LYS 13 -2.109 8.071 4.724 85 HE2 LYS 13 2HE LYS 13 -4.830 8.633 5.896 86 HE3 LYS 13 1HE LYS 13 -3.297 8.847 6.728 87 HZ1 LYS 13 1HZ LYS 13 -2.689 10.502 5.033 88 HZ2 LYS 13 2HZ LYS 13 -4.082 10.934 5.867 89 HZ3 LYS 13 3HZ LYS 13 -4.207 10.347 4.317 90 H SER 14 H SER 14 -4.636 4.568 1.092 91 HA SER 14 HA SER 14 -7.209 4.666 2.212 92 HB2 SER 14 2HB SER 14 -7.759 3.386 0.069 93 HB3 SER 14 1HB SER 14 -7.018 4.969 -0.125 94 HG SER 14 HG SER 14 -5.292 2.804 0.092 95 HA PRO 15 HA PRO 15 -6.707 0.866 4.597 96 HB2 PRO 15 2HB PRO 15 -9.620 1.269 5.012 97 HB3 PRO 15 1HB PRO 15 -8.339 1.021 6.203 98 HG2 PRO 15 2HG PRO 15 -9.379 3.436 5.885 99 HG3 PRO 15 1HG PRO 15 -7.629 3.242 6.091 100 HD2 PRO 15 2HD PRO 15 -9.192 3.713 3.576 101 HD3 PRO 15 1HD PRO 15 -7.670 4.453 4.129 102 H GLU 16 H GLU 16 -9.673 1.262 2.651 103 HA GLU 16 HA GLU 16 -9.923 -1.578 2.487 104 HB2 GLU 16 2HB GLU 16 -11.586 0.571 1.200 105 HB3 GLU 16 1HB GLU 16 -11.945 -1.150 1.164 106 HG2 GLU 16 2HG GLU 16 -11.835 0.624 3.583 107 HG3 GLU 16 1HG GLU 16 -13.260 -0.132 2.863 108 H GLU 17 H GLU 17 -8.474 0.837 0.617 109 HA GLU 17 HA GLU 17 -8.421 -0.828 -1.716 110 HB2 GLU 17 2HB GLU 17 -6.981 1.733 -1.097 111 HB3 GLU 17 1HB GLU 17 -6.774 0.843 -2.599 112 HG2 GLU 17 2HG GLU 17 -9.357 1.986 -1.572 113 HG3 GLU 17 1HG GLU 17 -8.373 2.650 -2.877 114 H CYS 18 H CYS 18 -6.392 -0.260 1.043 115 HA CYS 18 HA CYS 18 -4.273 -1.846 -0.036 116 HB2 CYS 18 2HB CYS 18 -4.013 -0.134 1.843 117 HB3 CYS 18 1HB CYS 18 -4.788 -1.313 2.898 118 H LYS 19 H LYS 19 -7.200 -2.362 1.742 119 HA LYS 19 HA LYS 19 -6.875 -5.125 2.322 120 HB2 LYS 19 2HB LYS 19 -8.608 -3.668 3.332 121 HB3 LYS 19 1HB LYS 19 -9.358 -3.491 1.760 122 HG2 LYS 19 2HG LYS 19 -10.648 -5.033 3.033 123 HG3 LYS 19 1HG LYS 19 -9.813 -5.920 1.762 124 HD2 LYS 19 2HD LYS 19 -8.154 -6.704 3.339 125 HD3 LYS 19 1HD LYS 19 -8.873 -5.720 4.618 126 HE2 LYS 19 2HE LYS 19 -10.960 -7.003 4.397 127 HE3 LYS 19 1HE LYS 19 -10.194 -8.017 3.179 128 HZ1 LYS 19 1HZ LYS 19 -10.164 -9.058 5.338 129 HZ2 LYS 19 2HZ LYS 19 -9.352 -7.748 6.008 130 HZ3 LYS 19 3HZ LYS 19 -8.578 -8.712 4.873 131 H LYS 20 H LYS 20 -8.039 -3.275 -0.375 132 HA LYS 20 HA LYS 20 -9.084 -5.251 -2.051 133 HB2 LYS 20 2HB LYS 20 -9.385 -2.778 -2.238 134 HB3 LYS 20 1HB LYS 20 -7.723 -2.663 -2.770 135 HG2 LYS 20 2HG LYS 20 -9.127 -2.513 -4.667 136 HG3 LYS 20 1HG LYS 20 -8.299 -4.068 -4.723 137 HD2 LYS 20 2HD LYS 20 -10.644 -4.305 -5.335 138 HD3 LYS 20 1HD LYS 20 -10.295 -5.164 -3.838 139 HE2 LYS 20 2HE LYS 20 -12.427 -3.938 -3.751 140 HE3 LYS 20 1HE LYS 20 -11.299 -3.377 -2.530 141 HZ1 LYS 20 1HZ LYS 20 -10.861 -1.392 -3.844 142 HZ2 LYS 20 2HZ LYS 20 -12.516 -1.587 -3.715 143 HZ3 LYS 20 3HZ LYS 20 -11.742 -2.016 -5.141 144 H LEU 21 H LEU 21 -5.941 -3.610 -2.125 145 HA LEU 21 HA LEU 21 -4.910 -5.497 -4.043 146 HB2 LEU 21 2HB LEU 21 -3.575 -3.185 -2.644 147 HB3 LEU 21 1HB LEU 21 -2.888 -4.114 -3.959 148 HG LEU 21 HG LEU 21 -5.347 -2.372 -4.152 149 HD11 LEU 21 1HD1 LEU 21 -2.547 -1.922 -5.172 150 HD12 LEU 21 2HD1 LEU 21 -3.327 -1.059 -3.848 151 HD13 LEU 21 3HD1 LEU 21 -3.943 -0.894 -5.490 152 HD21 LEU 21 1HD2 LEU 21 -5.124 -2.744 -6.576 153 HD22 LEU 21 2HD2 LEU 21 -5.450 -4.239 -5.707 154 HD23 LEU 21 3HD2 LEU 21 -3.816 -3.886 -6.272 155 H LYS 22 H LYS 22 -4.669 -7.433 -3.082 156 HA LYS 22 HA LYS 22 -3.469 -7.653 -0.473 157 HB2 LYS 22 2HB LYS 22 -5.308 -9.197 -1.238 158 HB3 LYS 22 1HB LYS 22 -4.183 -9.894 -2.389 159 HG2 LYS 22 2HG LYS 22 -2.740 -10.613 -0.523 160 HG3 LYS 22 1HG LYS 22 -3.891 -9.933 0.616 161 HD2 LYS 22 2HD LYS 22 -4.370 -12.236 0.604 162 HD3 LYS 22 1HD LYS 22 -5.605 -11.532 -0.426 163 HE2 LYS 22 2HE LYS 22 -3.065 -12.801 -1.477 164 HE3 LYS 22 1HE LYS 22 -4.562 -13.687 -1.255 165 HZ1 LYS 22 1HZ LYS 22 -4.122 -11.412 -3.128 166 HZ2 LYS 22 2HZ LYS 22 -5.603 -12.186 -2.887 167 HZ3 LYS 22 3HZ LYS 22 -4.297 -13.028 -3.517 Start of MODEL 13 1 H ASN 1 H ASN 1 -2.298 -7.532 -1.950 2 HA ASN 1 HA ASN 1 0.314 -8.477 -1.023 3 HB2 ASN 1 2HB ASN 1 -0.289 -7.316 -3.746 4 HB3 ASN 1 1HB ASN 1 1.314 -7.710 -3.150 5 HD21 ASN 1 1HD2 ASN 1 1.826 -9.914 -2.804 6 HD22 ASN 1 2HD2 ASN 1 0.973 -11.151 -3.665 7 HA PRO 2 HA PRO 2 0.131 -4.148 0.513 8 HB2 PRO 2 2HB PRO 2 1.928 -5.540 2.426 9 HB3 PRO 2 1HB PRO 2 0.663 -4.346 2.749 10 HG2 PRO 2 2HG PRO 2 0.223 -6.887 3.294 11 HG3 PRO 2 1HG PRO 2 -1.048 -5.914 2.523 12 HD2 PRO 2 2HD PRO 2 0.809 -7.914 1.283 13 HD3 PRO 2 1HD PRO 2 -0.922 -7.652 1.003 14 H GLU 3 H GLU 3 2.630 -6.521 -0.194 15 HA GLU 3 HA GLU 3 4.942 -4.965 -0.208 16 HB2 GLU 3 2HB GLU 3 4.352 -6.828 -2.512 17 HB3 GLU 3 1HB GLU 3 5.909 -6.420 -1.832 18 HG2 GLU 3 2HG GLU 3 5.568 -8.597 -1.142 19 HG3 GLU 3 1HG GLU 3 5.054 -7.656 0.261 20 H ASP 4 H ASP 4 2.405 -5.226 -2.579 21 HA ASP 4 HA ASP 4 3.690 -3.397 -4.391 22 HB2 ASP 4 2HB ASP 4 1.035 -4.812 -4.518 23 HB3 ASP 4 1HB ASP 4 1.615 -3.702 -5.753 24 H CYS 5 H CYS 5 0.622 -3.460 -2.564 25 HA CYS 5 HA CYS 5 -0.033 -0.872 -3.490 26 HB2 CYS 5 2HB CYS 5 -1.892 -0.928 -1.895 27 HB3 CYS 5 1HB CYS 5 -1.774 -2.401 -2.856 28 H ARG 6 H ARG 6 1.648 -1.878 -0.528 29 HA ARG 6 HA ARG 6 1.307 0.636 0.784 30 HB2 ARG 6 2HB ARG 6 3.190 -1.655 1.326 31 HB3 ARG 6 1HB ARG 6 3.132 -0.207 2.320 32 HG2 ARG 6 2HG ARG 6 0.740 -1.969 1.832 33 HG3 ARG 6 1HG ARG 6 1.849 -2.192 3.185 34 HD2 ARG 6 2HD ARG 6 0.292 0.337 2.615 35 HD3 ARG 6 1HD ARG 6 -0.161 -0.888 3.799 36 HE ARG 6 HE ARG 6 2.489 -0.029 4.231 37 HH11 ARG 6 1HH1 ARG 6 -0.839 1.139 4.739 38 HH12 ARG 6 2HH1 ARG 6 -0.425 2.051 6.101 39 HH21 ARG 6 1HH2 ARG 6 3.004 1.203 6.054 40 HH22 ARG 6 2HH2 ARG 6 1.804 2.104 6.879 41 H GLN 7 H GLN 7 3.088 -0.092 -1.855 42 HA GLN 7 HA GLN 7 5.350 1.596 -1.272 43 HB2 GLN 7 2HB GLN 7 5.492 -0.293 -2.888 44 HB3 GLN 7 1HB GLN 7 4.350 0.543 -3.927 45 HG2 GLN 7 2HG GLN 7 5.960 2.399 -4.142 46 HG3 GLN 7 1HG GLN 7 7.111 1.472 -3.184 47 HE21 GLN 7 1HE2 GLN 7 5.429 1.711 -6.179 48 HE22 GLN 7 2HE2 GLN 7 6.414 0.610 -7.060 49 H ASP 8 H ASP 8 2.115 2.018 -2.152 50 HA ASP 8 HA ASP 8 2.543 4.551 -3.478 51 HB2 ASP 8 2HB ASP 8 0.181 2.790 -3.061 52 HB3 ASP 8 1HB ASP 8 -0.093 4.504 -3.332 53 HA PRO 9 HA PRO 9 2.226 7.043 0.239 54 HB2 PRO 9 2HB PRO 9 1.112 8.922 -1.791 55 HB3 PRO 9 1HB PRO 9 2.362 9.207 -0.576 56 HG2 PRO 9 2HG PRO 9 3.048 8.873 -3.104 57 HG3 PRO 9 1HG PRO 9 3.997 8.101 -1.822 58 HD2 PRO 9 2HD PRO 9 2.012 6.894 -3.693 59 HD3 PRO 9 1HD PRO 9 3.538 6.239 -3.064 60 H GLU 10 H GLU 10 -0.349 6.539 -2.061 61 HA GLU 10 HA GLU 10 -2.440 7.788 -0.587 62 HB2 GLU 10 2HB GLU 10 -2.421 7.338 -3.061 63 HB3 GLU 10 1HB GLU 10 -2.677 5.640 -2.700 64 HG2 GLU 10 2HG GLU 10 -4.770 6.636 -3.298 65 HG3 GLU 10 1HG GLU 10 -4.800 6.250 -1.578 66 H ALA 11 H ALA 11 -0.876 4.722 -0.331 67 HA ALA 11 HA ALA 11 -3.044 3.161 0.582 68 HB1 ALA 11 1HB ALA 11 -0.112 2.683 1.076 69 HB2 ALA 11 2HB ALA 11 -0.997 2.191 -0.365 70 HB3 ALA 11 3HB ALA 11 -1.411 1.498 1.203 71 H ASN 12 H ASN 12 -0.915 5.331 2.282 72 HA ASN 12 HA ASN 12 -1.722 4.262 4.827 73 HB2 ASN 12 2HB ASN 12 -0.455 6.101 5.883 74 HB3 ASN 12 1HB ASN 12 0.514 5.207 4.731 75 HD21 ASN 12 1HD2 ASN 12 1.972 6.815 4.435 76 HD22 ASN 12 2HD2 ASN 12 1.618 8.291 3.616 77 H LYS 13 H LYS 13 -2.926 6.514 2.662 78 HA LYS 13 HA LYS 13 -4.583 7.907 4.580 79 HB2 LYS 13 2HB LYS 13 -3.674 8.803 2.315 80 HB3 LYS 13 1HB LYS 13 -4.928 7.835 1.579 81 HG2 LYS 13 2HG LYS 13 -5.373 10.131 3.500 82 HG3 LYS 13 1HG LYS 13 -5.558 10.183 1.755 83 HD2 LYS 13 2HD LYS 13 -7.387 8.491 1.966 84 HD3 LYS 13 1HD LYS 13 -7.208 8.594 3.711 85 HE2 LYS 13 2HE LYS 13 -9.043 10.008 2.963 86 HE3 LYS 13 1HE LYS 13 -7.739 10.972 3.648 87 HZ1 LYS 13 1HZ LYS 13 -8.613 11.948 1.638 88 HZ2 LYS 13 2HZ LYS 13 -8.245 10.585 0.734 89 HZ3 LYS 13 3HZ LYS 13 -7.008 11.526 1.396 90 H SER 14 H SER 14 -5.102 5.817 1.771 91 HA SER 14 HA SER 14 -7.305 4.568 3.186 92 HB2 SER 14 2HB SER 14 -8.370 4.386 0.875 93 HB3 SER 14 1HB SER 14 -8.330 6.001 1.588 94 HG SER 14 HG SER 14 -6.382 5.022 -0.233 95 HA PRO 15 HA PRO 15 -4.640 1.141 1.935 96 HB2 PRO 15 2HB PRO 15 -5.580 -0.651 3.686 97 HB3 PRO 15 1HB PRO 15 -4.540 0.675 4.211 98 HG2 PRO 15 2HG PRO 15 -7.508 0.395 4.427 99 HG3 PRO 15 1HG PRO 15 -6.355 1.046 5.606 100 HD2 PRO 15 2HD PRO 15 -7.906 2.583 3.908 101 HD3 PRO 15 1HD PRO 15 -6.393 3.122 4.660 102 H GLU 16 H GLU 16 -7.002 1.860 0.471 103 HA GLU 16 HA GLU 16 -8.990 -0.115 0.396 104 HB2 GLU 16 2HB GLU 16 -9.119 2.248 -0.526 105 HB3 GLU 16 1HB GLU 16 -8.200 1.669 -1.904 106 HG2 GLU 16 2HG GLU 16 -10.612 1.767 -2.349 107 HG3 GLU 16 1HG GLU 16 -9.963 0.133 -2.493 108 H GLU 17 H GLU 17 -6.125 0.365 -1.666 109 HA GLU 17 HA GLU 17 -6.568 -1.999 -3.153 110 HB2 GLU 17 2HB GLU 17 -4.052 -0.370 -2.758 111 HB3 GLU 17 1HB GLU 17 -4.089 -1.822 -3.726 112 HG2 GLU 17 2HG GLU 17 -4.199 0.074 -5.164 113 HG3 GLU 17 1HG GLU 17 -5.751 -0.748 -5.205 114 H CYS 18 H CYS 18 -4.791 -1.284 -0.242 115 HA CYS 18 HA CYS 18 -3.453 -3.777 -0.079 116 HB2 CYS 18 2HB CYS 18 -3.981 -1.716 2.052 117 HB3 CYS 18 1HB CYS 18 -2.946 -3.128 2.272 118 H LYS 19 H LYS 19 -6.627 -2.848 0.881 119 HA LYS 19 HA LYS 19 -6.860 -5.298 2.432 120 HB2 LYS 19 2HB LYS 19 -8.766 -2.978 2.125 121 HB3 LYS 19 1HB LYS 19 -9.105 -4.432 3.054 122 HG2 LYS 19 2HG LYS 19 -6.844 -2.517 3.593 123 HG3 LYS 19 1HG LYS 19 -8.373 -2.556 4.471 124 HD2 LYS 19 2HD LYS 19 -7.891 -4.852 5.189 125 HD3 LYS 19 1HD LYS 19 -6.361 -4.809 4.318 126 HE2 LYS 19 2HE LYS 19 -5.623 -2.948 5.736 127 HE3 LYS 19 1HE LYS 19 -7.147 -3.029 6.615 128 HZ1 LYS 19 1HZ LYS 19 -6.565 -5.303 7.293 129 HZ2 LYS 19 2HZ LYS 19 -5.393 -4.199 7.787 130 HZ3 LYS 19 3HZ LYS 19 -5.110 -5.180 6.465 131 H LYS 20 H LYS 20 -7.386 -4.233 -0.676 132 HA LYS 20 HA LYS 20 -9.459 -6.247 -1.130 133 HB2 LYS 20 2HB LYS 20 -9.658 -3.899 -2.109 134 HB3 LYS 20 1HB LYS 20 -8.305 -4.321 -3.145 135 HG2 LYS 20 2HG LYS 20 -9.587 -6.047 -4.217 136 HG3 LYS 20 1HG LYS 20 -10.916 -5.820 -3.081 137 HD2 LYS 20 2HD LYS 20 -11.484 -4.706 -5.140 138 HD3 LYS 20 1HD LYS 20 -11.154 -3.492 -3.908 139 HE2 LYS 20 2HE LYS 20 -10.126 -2.791 -5.946 140 HE3 LYS 20 1HE LYS 20 -8.847 -3.284 -4.841 141 HZ1 LYS 20 1HZ LYS 20 -8.402 -4.186 -7.001 142 HZ2 LYS 20 2HZ LYS 20 -9.946 -4.775 -7.122 143 HZ3 LYS 20 3HZ LYS 20 -8.886 -5.492 -6.034 144 H LEU 21 H LEU 21 -6.290 -5.218 -2.353 145 HA LEU 21 HA LEU 21 -5.729 -7.782 -3.557 146 HB2 LEU 21 2HB LEU 21 -3.958 -5.405 -2.944 147 HB3 LEU 21 1HB LEU 21 -3.499 -6.790 -3.902 148 HG LEU 21 HG LEU 21 -5.656 -4.836 -4.700 149 HD11 LEU 21 1HD1 LEU 21 -2.773 -5.016 -5.571 150 HD12 LEU 21 2HD1 LEU 21 -3.455 -3.770 -4.530 151 HD13 LEU 21 3HD1 LEU 21 -3.991 -3.907 -6.208 152 HD21 LEU 21 1HD2 LEU 21 -5.839 -7.068 -5.698 153 HD22 LEU 21 2HD2 LEU 21 -4.163 -6.957 -6.238 154 HD23 LEU 21 3HD2 LEU 21 -5.374 -5.857 -6.893 155 H LYS 22 H LYS 22 -4.135 -9.150 -2.608 156 HA LYS 22 HA LYS 22 -3.916 -8.663 0.267 157 HB2 LYS 22 2HB LYS 22 -3.414 -11.270 -1.160 158 HB3 LYS 22 1HB LYS 22 -3.593 -11.027 0.567 159 HG2 LYS 22 2HG LYS 22 -5.738 -10.741 -1.520 160 HG3 LYS 22 1HG LYS 22 -5.608 -12.042 -0.331 161 HD2 LYS 22 2HD LYS 22 -5.972 -10.367 1.450 162 HD3 LYS 22 1HD LYS 22 -6.120 -9.110 0.221 163 HE2 LYS 22 2HE LYS 22 -7.945 -11.491 0.609 164 HE3 LYS 22 1HE LYS 22 -8.327 -9.808 0.930 165 HZ1 LYS 22 1HZ LYS 22 -9.277 -10.489 -1.189 166 HZ2 LYS 22 2HZ LYS 22 -7.784 -10.973 -1.766 167 HZ3 LYS 22 3HZ LYS 22 -8.087 -9.349 -1.477 Start of MODEL 14 1 H ASN 1 H ASN 1 -2.183 -6.632 -2.983 2 HA ASN 1 HA ASN 1 0.291 -7.825 -1.963 3 HB2 ASN 1 2HB ASN 1 0.049 -5.629 -4.023 4 HB3 ASN 1 1HB ASN 1 1.554 -6.152 -3.286 5 HD21 ASN 1 1HD2 ASN 1 2.377 -8.183 -3.811 6 HD22 ASN 1 2HD2 ASN 1 1.897 -9.014 -5.238 7 HA PRO 2 HA PRO 2 -0.866 -4.720 1.182 8 HB2 PRO 2 2HB PRO 2 1.058 -6.269 2.774 9 HB3 PRO 2 1HB PRO 2 -0.628 -5.891 3.129 10 HG2 PRO 2 2HG PRO 2 0.142 -8.374 2.462 11 HG3 PRO 2 1HG PRO 2 -1.421 -7.709 1.956 12 HD2 PRO 2 2HD PRO 2 1.102 -8.026 0.383 13 HD3 PRO 2 1HD PRO 2 -0.583 -8.309 -0.107 14 H GLU 3 H GLU 3 2.426 -6.043 0.684 15 HA GLU 3 HA GLU 3 3.736 -3.798 1.794 16 HB2 GLU 3 2HB GLU 3 4.737 -6.080 1.574 17 HB3 GLU 3 1HB GLU 3 4.855 -5.823 -0.161 18 HG2 GLU 3 2HG GLU 3 6.983 -5.417 0.876 19 HG3 GLU 3 1HG GLU 3 6.319 -3.905 0.248 20 H ASP 4 H ASP 4 2.767 -4.710 -1.414 21 HA ASP 4 HA ASP 4 4.044 -2.495 -2.667 22 HB2 ASP 4 2HB ASP 4 1.900 -4.333 -3.705 23 HB3 ASP 4 1HB ASP 4 2.596 -3.025 -4.636 24 H CYS 5 H CYS 5 0.892 -3.001 -1.266 25 HA CYS 5 HA CYS 5 -0.201 -0.574 -2.184 26 HB2 CYS 5 2HB CYS 5 -1.551 -2.358 -1.108 27 HB3 CYS 5 1HB CYS 5 -0.751 -2.023 0.423 28 H ARG 6 H ARG 6 1.833 -1.411 0.579 29 HA ARG 6 HA ARG 6 1.878 1.175 1.759 30 HB2 ARG 6 2HB ARG 6 3.790 -1.141 2.014 31 HB3 ARG 6 1HB ARG 6 3.879 0.329 2.975 32 HG2 ARG 6 2HG ARG 6 1.624 -0.131 3.834 33 HG3 ARG 6 1HG ARG 6 1.614 -1.638 2.919 34 HD2 ARG 6 2HD ARG 6 3.639 -0.931 5.026 35 HD3 ARG 6 1HD ARG 6 2.205 -1.900 5.326 36 HE ARG 6 HE ARG 6 4.535 -2.669 3.698 37 HH11 ARG 6 1HH1 ARG 6 1.401 -3.563 5.047 38 HH12 ARG 6 2HH1 ARG 6 1.775 -5.211 5.211 39 HH21 ARG 6 1HH2 ARG 6 5.062 -4.962 3.922 40 HH22 ARG 6 2HH2 ARG 6 3.887 -6.032 4.535 41 H GLN 7 H GLN 7 3.445 -0.181 -0.904 42 HA GLN 7 HA GLN 7 5.772 1.458 -0.972 43 HB2 GLN 7 2HB GLN 7 5.676 -0.715 -2.093 44 HB3 GLN 7 1HB GLN 7 4.390 -0.136 -3.134 45 HG2 GLN 7 2HG GLN 7 6.492 -0.202 -4.317 46 HG3 GLN 7 1HG GLN 7 5.920 1.456 -4.146 47 HE21 GLN 7 1HE2 GLN 7 7.031 2.863 -2.843 48 HE22 GLN 7 2HE2 GLN 7 8.627 2.537 -2.265 49 H ASP 8 H ASP 8 2.500 1.789 -2.081 50 HA ASP 8 HA ASP 8 3.221 4.331 -3.348 51 HB2 ASP 8 2HB ASP 8 0.858 2.505 -3.833 52 HB3 ASP 8 1HB ASP 8 0.858 4.180 -4.360 53 HA PRO 9 HA PRO 9 1.625 6.017 0.545 54 HB2 PRO 9 2HB PRO 9 1.913 8.437 -1.188 55 HB3 PRO 9 1HB PRO 9 2.379 8.208 0.502 56 HG2 PRO 9 2HG PRO 9 4.225 8.138 -1.393 57 HG3 PRO 9 1HG PRO 9 4.279 6.982 -0.051 58 HD2 PRO 9 2HD PRO 9 3.466 6.554 -2.886 59 HD3 PRO 9 1HD PRO 9 4.285 5.453 -1.765 60 H GLU 10 H GLU 10 0.428 6.817 -2.692 61 HA GLU 10 HA GLU 10 -2.009 7.995 -1.876 62 HB2 GLU 10 2HB GLU 10 -1.140 8.333 -4.124 63 HB3 GLU 10 1HB GLU 10 -1.274 6.614 -4.462 64 HG2 GLU 10 2HG GLU 10 -3.671 6.735 -4.342 65 HG3 GLU 10 1HG GLU 10 -3.594 8.433 -3.874 66 H ALA 11 H ALA 11 -1.086 4.691 -2.553 67 HA ALA 11 HA ALA 11 -3.765 3.685 -2.394 68 HB1 ALA 11 1HB ALA 11 -1.115 2.235 -2.389 69 HB2 ALA 11 2HB ALA 11 -2.100 2.578 -3.812 70 HB3 ALA 11 3HB ALA 11 -2.695 1.477 -2.567 71 H ASN 12 H ASN 12 -0.865 3.615 -0.369 72 HA ASN 12 HA ASN 12 -1.950 2.105 1.743 73 HB2 ASN 12 2HB ASN 12 0.473 2.450 1.375 74 HB3 ASN 12 1HB ASN 12 0.302 4.111 1.916 75 HD21 ASN 12 1HD2 ASN 12 0.048 4.532 4.130 76 HD22 ASN 12 2HD2 ASN 12 0.254 3.319 5.340 77 H LYS 13 H LYS 13 -2.351 5.397 0.946 78 HA LYS 13 HA LYS 13 -3.059 6.567 3.370 79 HB2 LYS 13 2HB LYS 13 -2.878 7.848 1.293 80 HB3 LYS 13 1HB LYS 13 -4.244 6.984 0.616 81 HG2 LYS 13 2HG LYS 13 -4.888 9.208 1.311 82 HG3 LYS 13 1HG LYS 13 -5.713 7.992 2.288 83 HD2 LYS 13 2HD LYS 13 -4.062 8.341 4.075 84 HD3 LYS 13 1HD LYS 13 -3.269 9.577 3.101 85 HE2 LYS 13 2HE LYS 13 -6.097 9.634 4.135 86 HE3 LYS 13 1HE LYS 13 -4.749 10.591 4.750 87 HZ1 LYS 13 1HZ LYS 13 -6.133 11.889 3.288 88 HZ2 LYS 13 2HZ LYS 13 -5.951 10.776 2.046 89 HZ3 LYS 13 3HZ LYS 13 -4.619 11.667 2.580 90 H SER 14 H SER 14 -4.754 4.362 1.321 91 HA SER 14 HA SER 14 -6.909 4.252 3.263 92 HB2 SER 14 2HB SER 14 -8.223 3.306 1.298 93 HB3 SER 14 1HB SER 14 -7.813 5.022 1.207 94 HG SER 14 HG SER 14 -5.978 3.233 0.126 95 HA PRO 15 HA PRO 15 -4.690 0.227 3.788 96 HB2 PRO 15 2HB PRO 15 -6.321 -0.533 5.909 97 HB3 PRO 15 1HB PRO 15 -4.807 0.360 6.075 98 HG2 PRO 15 2HG PRO 15 -7.613 1.374 6.032 99 HG3 PRO 15 1HG PRO 15 -6.253 1.877 7.055 100 HD2 PRO 15 2HD PRO 15 -7.036 3.346 4.993 101 HD3 PRO 15 1HD PRO 15 -5.312 3.164 5.355 102 H GLU 16 H GLU 16 -7.957 1.009 3.389 103 HA GLU 16 HA GLU 16 -9.197 -1.465 2.942 104 HB2 GLU 16 2HB GLU 16 -9.757 1.219 1.692 105 HB3 GLU 16 1HB GLU 16 -10.863 -0.145 1.732 106 HG2 GLU 16 2HG GLU 16 -10.978 -0.019 4.148 107 HG3 GLU 16 1HG GLU 16 -9.798 1.289 4.154 108 H GLU 17 H GLU 17 -7.206 0.599 0.891 109 HA GLU 17 HA GLU 17 -7.715 -0.680 -1.607 110 HB2 GLU 17 2HB GLU 17 -6.728 1.619 -1.297 111 HB3 GLU 17 1HB GLU 17 -5.272 0.858 -0.684 112 HG2 GLU 17 2HG GLU 17 -4.827 1.421 -2.920 113 HG3 GLU 17 1HG GLU 17 -5.105 -0.321 -2.915 114 H CYS 18 H CYS 18 -5.294 -0.894 0.929 115 HA CYS 18 HA CYS 18 -3.629 -2.836 -0.192 116 HB2 CYS 18 2HB CYS 18 -4.157 -2.399 2.750 117 HB3 CYS 18 1HB CYS 18 -2.700 -3.062 2.018 118 H LYS 19 H LYS 19 -6.534 -3.071 1.778 119 HA LYS 19 HA LYS 19 -6.361 -5.923 1.978 120 HB2 LYS 19 2HB LYS 19 -8.611 -4.033 2.675 121 HB3 LYS 19 1HB LYS 19 -8.656 -5.764 2.970 122 HG2 LYS 19 2HG LYS 19 -6.673 -3.825 4.163 123 HG3 LYS 19 1HG LYS 19 -8.063 -4.532 4.994 124 HD2 LYS 19 2HD LYS 19 -7.104 -6.769 4.696 125 HD3 LYS 19 1HD LYS 19 -5.730 -6.082 3.841 126 HE2 LYS 19 2HE LYS 19 -6.478 -5.560 6.711 127 HE3 LYS 19 1HE LYS 19 -5.178 -6.609 6.161 128 HZ1 LYS 19 1HZ LYS 19 -5.327 -3.653 5.829 129 HZ2 LYS 19 2HZ LYS 19 -4.133 -4.603 5.146 130 HZ3 LYS 19 3HZ LYS 19 -4.274 -4.509 6.819 131 H LYS 20 H LYS 20 -7.614 -3.757 -0.323 132 HA LYS 20 HA LYS 20 -9.308 -5.713 -1.582 133 HB2 LYS 20 2HB LYS 20 -9.809 -3.315 -1.761 134 HB3 LYS 20 1HB LYS 20 -8.272 -3.046 -2.565 135 HG2 LYS 20 2HG LYS 20 -9.002 -4.399 -4.447 136 HG3 LYS 20 1HG LYS 20 -10.535 -4.718 -3.634 137 HD2 LYS 20 2HD LYS 20 -11.044 -2.329 -3.653 138 HD3 LYS 20 1HD LYS 20 -9.506 -2.004 -4.451 139 HE2 LYS 20 2HE LYS 20 -11.337 -2.024 -6.061 140 HE3 LYS 20 1HE LYS 20 -10.207 -3.340 -6.358 141 HZ1 LYS 20 1HZ LYS 20 -12.791 -3.625 -4.925 142 HZ2 LYS 20 2HZ LYS 20 -11.744 -4.882 -5.325 143 HZ3 LYS 20 3HZ LYS 20 -12.535 -4.028 -6.536 144 H LEU 21 H LEU 21 -6.184 -4.198 -2.201 145 HA LEU 21 HA LEU 21 -5.506 -5.764 -4.461 146 HB2 LEU 21 2HB LEU 21 -3.765 -4.258 -2.509 147 HB3 LEU 21 1HB LEU 21 -3.190 -4.972 -3.997 148 HG LEU 21 HG LEU 21 -5.206 -2.728 -3.812 149 HD11 LEU 21 1HD1 LEU 21 -2.289 -2.696 -4.569 150 HD12 LEU 21 2HD1 LEU 21 -2.987 -2.017 -3.098 151 HD13 LEU 21 3HD1 LEU 21 -3.394 -1.325 -4.668 152 HD21 LEU 21 1HD2 LEU 21 -5.527 -4.092 -5.809 153 HD22 LEU 21 2HD2 LEU 21 -3.808 -3.975 -6.179 154 HD23 LEU 21 3HD2 LEU 21 -4.821 -2.532 -6.238 155 H LYS 22 H LYS 22 -3.878 -7.394 -4.546 156 HA LYS 22 HA LYS 22 -3.983 -9.225 -2.291 157 HB2 LYS 22 2HB LYS 22 -2.634 -9.504 -4.976 158 HB3 LYS 22 1HB LYS 22 -2.835 -10.781 -3.789 159 HG2 LYS 22 2HG LYS 22 -5.255 -10.668 -4.075 160 HG3 LYS 22 1HG LYS 22 -5.042 -9.365 -5.248 161 HD2 LYS 22 2HD LYS 22 -3.745 -10.846 -6.678 162 HD3 LYS 22 1HD LYS 22 -3.937 -12.152 -5.509 163 HE2 LYS 22 2HE LYS 22 -6.372 -12.046 -5.833 164 HE3 LYS 22 1HE LYS 22 -6.148 -10.774 -7.028 165 HZ1 LYS 22 1HZ LYS 22 -6.427 -12.876 -8.099 166 HZ2 LYS 22 2HZ LYS 22 -5.171 -13.574 -7.231 167 HZ3 LYS 22 3HZ LYS 22 -4.848 -12.352 -8.353 Start of MODEL 15 1 H ASN 1 H ASN 1 -1.860 -7.618 -2.415 2 HA ASN 1 HA ASN 1 0.581 -8.970 -1.523 3 HB2 ASN 1 2HB ASN 1 0.202 -6.643 -3.427 4 HB3 ASN 1 1HB ASN 1 1.711 -7.500 -3.138 5 HD21 ASN 1 1HD2 ASN 1 1.990 -9.525 -4.042 6 HD22 ASN 1 2HD2 ASN 1 0.971 -10.126 -5.295 7 HA PRO 2 HA PRO 2 0.038 -5.882 1.822 8 HB2 PRO 2 2HB PRO 2 2.408 -7.220 2.960 9 HB3 PRO 2 1HB PRO 2 0.807 -6.973 3.664 10 HG2 PRO 2 2HG PRO 2 1.583 -9.388 2.844 11 HG3 PRO 2 1HG PRO 2 -0.087 -8.835 2.616 12 HD2 PRO 2 2HD PRO 2 2.158 -8.945 0.633 13 HD3 PRO 2 1HD PRO 2 0.452 -9.417 0.440 14 H GLU 3 H GLU 3 3.097 -6.549 0.239 15 HA GLU 3 HA GLU 3 4.236 -4.080 1.277 16 HB2 GLU 3 2HB GLU 3 5.638 -6.132 1.060 17 HB3 GLU 3 1HB GLU 3 5.407 -6.077 -0.677 18 HG2 GLU 3 2HG GLU 3 7.581 -5.197 -0.048 19 HG3 GLU 3 1HG GLU 3 6.577 -3.948 -0.785 20 H ASP 4 H ASP 4 3.311 -5.528 -1.769 21 HA ASP 4 HA ASP 4 4.026 -3.413 -3.456 22 HB2 ASP 4 2HB ASP 4 1.960 -5.570 -3.839 23 HB3 ASP 4 1HB ASP 4 2.415 -4.429 -5.089 24 H CYS 5 H CYS 5 0.993 -4.034 -1.763 25 HA CYS 5 HA CYS 5 -0.478 -2.027 -3.105 26 HB2 CYS 5 2HB CYS 5 -2.119 -2.275 -1.322 27 HB3 CYS 5 1HB CYS 5 -1.552 -3.847 -1.874 28 H ARG 6 H ARG 6 1.702 -1.957 -0.416 29 HA ARG 6 HA ARG 6 0.790 0.568 0.634 30 HB2 ARG 6 2HB ARG 6 1.655 -1.343 2.030 31 HB3 ARG 6 1HB ARG 6 3.246 -1.047 1.361 32 HG2 ARG 6 2HG ARG 6 3.117 -0.078 3.554 33 HG3 ARG 6 1HG ARG 6 3.197 1.215 2.358 34 HD2 ARG 6 2HD ARG 6 0.777 1.541 2.534 35 HD3 ARG 6 1HD ARG 6 0.675 0.220 3.700 36 HE ARG 6 HE ARG 6 2.495 2.302 4.430 37 HH11 ARG 6 1HH1 ARG 6 -0.902 1.252 4.647 38 HH12 ARG 6 2HH1 ARG 6 -1.269 2.217 5.992 39 HH21 ARG 6 1HH2 ARG 6 1.976 3.641 6.302 40 HH22 ARG 6 2HH2 ARG 6 0.407 3.611 6.956 41 H GLN 7 H GLN 7 2.482 -0.213 -2.012 42 HA GLN 7 HA GLN 7 4.733 1.512 -1.988 43 HB2 GLN 7 2HB GLN 7 4.566 -0.355 -3.532 44 HB3 GLN 7 1HB GLN 7 3.124 0.330 -4.253 45 HG2 GLN 7 2HG GLN 7 5.014 0.668 -5.711 46 HG3 GLN 7 1HG GLN 7 4.453 2.210 -5.086 47 HE21 GLN 7 1HE2 GLN 7 6.401 3.189 -5.464 48 HE22 GLN 7 2HE2 GLN 7 7.803 2.871 -4.527 49 H ASP 8 H ASP 8 1.370 1.973 -2.616 50 HA ASP 8 HA ASP 8 1.740 4.446 -4.039 51 HB2 ASP 8 2HB ASP 8 -0.712 2.990 -3.096 52 HB3 ASP 8 1HB ASP 8 -0.779 4.563 -3.876 53 HA PRO 9 HA PRO 9 1.794 7.101 -0.476 54 HB2 PRO 9 2HB PRO 9 0.792 9.367 -1.713 55 HB3 PRO 9 1HB PRO 9 2.487 8.878 -1.757 56 HG2 PRO 9 2HG PRO 9 0.343 8.486 -3.796 57 HG3 PRO 9 1HG PRO 9 2.051 8.889 -4.032 58 HD2 PRO 9 2HD PRO 9 1.117 6.409 -4.447 59 HD3 PRO 9 1HD PRO 9 2.735 6.691 -3.776 60 H GLU 10 H GLU 10 -1.072 6.748 -2.494 61 HA GLU 10 HA GLU 10 -2.804 7.909 -0.519 62 HB2 GLU 10 2HB GLU 10 -3.234 7.992 -2.998 63 HB3 GLU 10 1HB GLU 10 -3.557 6.266 -2.943 64 HG2 GLU 10 2HG GLU 10 -5.619 7.546 -2.987 65 HG3 GLU 10 1HG GLU 10 -5.457 6.666 -1.469 66 H ALA 11 H ALA 11 -1.300 4.899 -0.904 67 HA ALA 11 HA ALA 11 -3.343 3.291 0.332 68 HB1 ALA 11 1HB ALA 11 -1.640 1.551 0.419 69 HB2 ALA 11 2HB ALA 11 -0.409 2.722 -0.054 70 HB3 ALA 11 3HB ALA 11 -1.694 2.290 -1.181 71 H ASN 12 H ASN 12 -0.806 5.338 1.346 72 HA ASN 12 HA ASN 12 -0.467 4.450 4.021 73 HB2 ASN 12 2HB ASN 12 -0.274 7.274 2.919 74 HB3 ASN 12 1HB ASN 12 0.265 6.764 4.504 75 HD21 ASN 12 1HD2 ASN 12 2.317 7.465 4.140 76 HD22 ASN 12 2HD2 ASN 12 3.419 6.699 3.047 77 H LYS 13 H LYS 13 -2.529 6.716 2.417 78 HA LYS 13 HA LYS 13 -3.900 7.604 4.768 79 HB2 LYS 13 2HB LYS 13 -3.449 8.787 2.452 80 HB3 LYS 13 1HB LYS 13 -4.915 7.968 1.965 81 HG2 LYS 13 2HG LYS 13 -4.664 9.963 4.222 82 HG3 LYS 13 1HG LYS 13 -5.320 10.286 2.628 83 HD2 LYS 13 2HD LYS 13 -6.475 8.377 4.663 84 HD3 LYS 13 1HD LYS 13 -7.064 10.003 4.343 85 HE2 LYS 13 2HE LYS 13 -7.065 7.665 2.434 86 HE3 LYS 13 1HE LYS 13 -8.466 8.360 3.241 87 HZ1 LYS 13 1HZ LYS 13 -8.429 9.162 1.052 88 HZ2 LYS 13 2HZ LYS 13 -6.820 9.542 1.085 89 HZ3 LYS 13 3HZ LYS 13 -7.933 10.476 1.978 90 H SER 14 H SER 14 -4.785 5.686 1.895 91 HA SER 14 HA SER 14 -6.965 4.559 3.469 92 HB2 SER 14 2HB SER 14 -8.095 4.134 1.250 93 HB3 SER 14 1HB SER 14 -7.943 5.827 1.707 94 HG SER 14 HG SER 14 -5.771 5.281 0.328 95 HA PRO 15 HA PRO 15 -4.484 0.813 2.888 96 HB2 PRO 15 2HB PRO 15 -6.406 -0.301 4.814 97 HB3 PRO 15 1HB PRO 15 -4.654 -0.143 4.950 98 HG2 PRO 15 2HG PRO 15 -6.305 1.362 6.424 99 HG3 PRO 15 1HG PRO 15 -4.765 1.983 5.804 100 HD2 PRO 15 2HD PRO 15 -7.533 2.409 4.741 101 HD3 PRO 15 1HD PRO 15 -6.208 3.576 4.979 102 H GLU 16 H GLU 16 -7.442 1.643 1.895 103 HA GLU 16 HA GLU 16 -8.837 -0.712 1.334 104 HB2 GLU 16 2HB GLU 16 -9.670 1.675 1.155 105 HB3 GLU 16 1HB GLU 16 -8.801 1.782 -0.369 106 HG2 GLU 16 2HG GLU 16 -10.165 -0.047 -1.258 107 HG3 GLU 16 1HG GLU 16 -11.051 -0.111 0.265 108 H GLU 17 H GLU 17 -6.156 0.855 -0.197 109 HA GLU 17 HA GLU 17 -5.990 -0.495 -2.652 110 HB2 GLU 17 2HB GLU 17 -3.728 0.399 -0.849 111 HB3 GLU 17 1HB GLU 17 -3.590 0.032 -2.559 112 HG2 GLU 17 2HG GLU 17 -5.238 2.265 -1.390 113 HG3 GLU 17 1HG GLU 17 -3.637 2.444 -2.100 114 H CYS 18 H CYS 18 -4.871 -1.338 0.578 115 HA CYS 18 HA CYS 18 -3.674 -3.824 -0.247 116 HB2 CYS 18 2HB CYS 18 -4.112 -2.589 2.464 117 HB3 CYS 18 1HB CYS 18 -3.213 -4.080 2.182 118 H LYS 19 H LYS 19 -6.670 -2.694 0.905 119 HA LYS 19 HA LYS 19 -7.736 -5.152 1.833 120 HB2 LYS 19 2HB LYS 19 -8.700 -2.920 2.320 121 HB3 LYS 19 1HB LYS 19 -9.096 -2.741 0.623 122 HG2 LYS 19 2HG LYS 19 -10.674 -4.590 0.792 123 HG3 LYS 19 1HG LYS 19 -10.271 -4.772 2.506 124 HD2 LYS 19 2HD LYS 19 -10.993 -2.474 2.919 125 HD3 LYS 19 1HD LYS 19 -11.411 -2.297 1.215 126 HE2 LYS 19 2HE LYS 19 -13.065 -4.091 1.455 127 HE3 LYS 19 1HE LYS 19 -12.645 -4.237 3.158 128 HZ1 LYS 19 1HZ LYS 19 -13.386 -1.949 3.497 129 HZ2 LYS 19 2HZ LYS 19 -14.620 -2.883 2.834 130 HZ3 LYS 19 3HZ LYS 19 -13.767 -1.819 1.860 131 H LYS 20 H LYS 20 -7.717 -3.470 -1.248 132 HA LYS 20 HA LYS 20 -9.078 -5.488 -2.714 133 HB2 LYS 20 2HB LYS 20 -9.078 -3.171 -3.460 134 HB3 LYS 20 1HB LYS 20 -7.330 -3.192 -3.611 135 HG2 LYS 20 2HG LYS 20 -7.503 -4.844 -5.408 136 HG3 LYS 20 1HG LYS 20 -9.259 -4.826 -5.249 137 HD2 LYS 20 2HD LYS 20 -9.298 -2.461 -5.862 138 HD3 LYS 20 1HD LYS 20 -7.540 -2.455 -5.969 139 HE2 LYS 20 2HE LYS 20 -7.597 -4.035 -7.790 140 HE3 LYS 20 1HE LYS 20 -9.346 -4.195 -7.645 141 HZ1 LYS 20 1HZ LYS 20 -8.677 -2.725 -9.458 142 HZ2 LYS 20 2HZ LYS 20 -7.918 -1.689 -8.384 143 HZ3 LYS 20 3HZ LYS 20 -9.595 -1.920 -8.306 144 H LEU 21 H LEU 21 -5.649 -4.509 -2.568 145 HA LEU 21 HA LEU 21 -4.911 -6.828 -4.144 146 HB2 LEU 21 2HB LEU 21 -3.232 -4.594 -3.038 147 HB3 LEU 21 1HB LEU 21 -2.677 -5.834 -4.143 148 HG LEU 21 HG LEU 21 -4.760 -3.739 -4.765 149 HD11 LEU 21 1HD1 LEU 21 -3.049 -2.784 -6.214 150 HD12 LEU 21 2HD1 LEU 21 -1.895 -3.993 -5.639 151 HD13 LEU 21 3HD1 LEU 21 -2.552 -2.797 -4.521 152 HD21 LEU 21 1HD2 LEU 21 -4.533 -4.531 -7.078 153 HD22 LEU 21 2HD2 LEU 21 -5.148 -5.791 -6.014 154 HD23 LEU 21 3HD2 LEU 21 -3.460 -5.820 -6.529 155 H LYS 22 H LYS 22 -4.213 -8.626 -3.323 156 HA LYS 22 HA LYS 22 -3.959 -9.072 -0.507 157 HB2 LYS 22 2HB LYS 22 -3.495 -11.402 -1.169 158 HB3 LYS 22 1HB LYS 22 -4.930 -10.756 -1.952 159 HG2 LYS 22 2HG LYS 22 -3.619 -10.367 -4.004 160 HG3 LYS 22 1HG LYS 22 -2.206 -11.054 -3.209 161 HD2 LYS 22 2HD LYS 22 -3.361 -13.191 -2.975 162 HD3 LYS 22 1HD LYS 22 -4.804 -12.502 -3.720 163 HE2 LYS 22 2HE LYS 22 -3.576 -12.105 -5.782 164 HE3 LYS 22 1HE LYS 22 -2.104 -12.733 -5.046 165 HZ1 LYS 22 1HZ LYS 22 -3.163 -14.406 -6.426 166 HZ2 LYS 22 2HZ LYS 22 -4.590 -14.293 -5.546 167 HZ3 LYS 22 3HZ LYS 22 -3.199 -14.884 -4.824 Start of MODEL 16 1 H ASN 1 H ASN 1 -1.487 -6.845 -2.738 2 HA ASN 1 HA ASN 1 0.626 -8.456 -1.477 3 HB2 ASN 1 2HB ASN 1 0.937 -6.448 -3.722 4 HB3 ASN 1 1HB ASN 1 2.269 -7.212 -2.876 5 HD21 ASN 1 1HD2 ASN 1 2.646 -9.408 -3.220 6 HD22 ASN 1 2HD2 ASN 1 2.089 -10.191 -4.650 7 HA PRO 2 HA PRO 2 0.152 -4.895 1.365 8 HB2 PRO 2 2HB PRO 2 2.141 -6.610 2.775 9 HB3 PRO 2 1HB PRO 2 0.704 -5.802 3.416 10 HG2 PRO 2 2HG PRO 2 0.666 -8.406 3.011 11 HG3 PRO 2 1HG PRO 2 -0.734 -7.411 2.568 12 HD2 PRO 2 2HD PRO 2 1.379 -8.587 0.813 13 HD3 PRO 2 1HD PRO 2 -0.369 -8.461 0.536 14 H GLU 3 H GLU 3 3.067 -6.485 0.196 15 HA GLU 3 HA GLU 3 4.924 -4.446 0.886 16 HB2 GLU 3 2HB GLU 3 5.574 -6.766 0.392 17 HB3 GLU 3 1HB GLU 3 5.058 -6.560 -1.272 18 HG2 GLU 3 2HG GLU 3 6.822 -4.924 -1.624 19 HG3 GLU 3 1HG GLU 3 7.323 -5.091 0.060 20 H ASP 4 H ASP 4 2.785 -4.967 -1.781 21 HA ASP 4 HA ASP 4 3.950 -2.897 -3.435 22 HB2 ASP 4 2HB ASP 4 2.768 -4.901 -4.385 23 HB3 ASP 4 1HB ASP 4 1.272 -4.270 -3.711 24 H CYS 5 H CYS 5 1.265 -3.361 -1.269 25 HA CYS 5 HA CYS 5 -0.137 -0.993 -1.540 26 HB2 CYS 5 2HB CYS 5 -1.088 -2.667 -0.152 27 HB3 CYS 5 1HB CYS 5 0.347 -2.740 0.867 28 H ARG 6 H ARG 6 2.706 -1.624 0.501 29 HA ARG 6 HA ARG 6 2.697 1.002 1.609 30 HB2 ARG 6 2HB ARG 6 4.777 -1.160 1.605 31 HB3 ARG 6 1HB ARG 6 5.027 0.396 2.379 32 HG2 ARG 6 2HG ARG 6 3.135 -0.030 3.855 33 HG3 ARG 6 1HG ARG 6 2.863 -1.583 3.059 34 HD2 ARG 6 2HD ARG 6 5.018 -2.378 3.771 35 HD3 ARG 6 1HD ARG 6 5.420 -0.804 4.454 36 HE ARG 6 HE ARG 6 3.326 -1.304 5.875 37 HH11 ARG 6 1HH1 ARG 6 5.775 -3.690 4.912 38 HH12 ARG 6 2HH1 ARG 6 5.596 -4.646 6.295 39 HH21 ARG 6 1HH2 ARG 6 3.081 -2.645 7.796 40 HH22 ARG 6 2HH2 ARG 6 4.031 -4.046 7.970 41 H GLN 7 H GLN 7 3.639 -0.118 -1.411 42 HA GLN 7 HA GLN 7 5.816 1.749 -1.753 43 HB2 GLN 7 2HB GLN 7 5.784 -0.540 -2.791 44 HB3 GLN 7 1HB GLN 7 4.459 -0.000 -3.805 45 HG2 GLN 7 2HG GLN 7 5.906 1.683 -4.817 46 HG3 GLN 7 1HG GLN 7 7.227 1.177 -3.775 47 HE21 GLN 7 1HE2 GLN 7 4.967 -1.018 -5.267 48 HE22 GLN 7 2HE2 GLN 7 6.101 -1.754 -6.333 49 H ASP 8 H ASP 8 2.430 1.715 -2.056 50 HA ASP 8 HA ASP 8 2.561 4.210 -3.578 51 HB2 ASP 8 2HB ASP 8 0.401 2.116 -3.579 52 HB3 ASP 8 1HB ASP 8 0.082 3.771 -4.080 53 HA PRO 9 HA PRO 9 1.445 5.865 0.421 54 HB2 PRO 9 2HB PRO 9 1.215 8.284 -1.303 55 HB3 PRO 9 1HB PRO 9 2.057 8.090 0.241 56 HG2 PRO 9 2HG PRO 9 3.416 8.202 -2.030 57 HG3 PRO 9 1HG PRO 9 3.888 7.066 -0.755 58 HD2 PRO 9 2HD PRO 9 2.435 6.543 -3.312 59 HD3 PRO 9 1HD PRO 9 3.659 5.559 -2.480 60 H GLU 10 H GLU 10 -0.248 6.557 -2.621 61 HA GLU 10 HA GLU 10 -2.669 7.484 -1.528 62 HB2 GLU 10 2HB GLU 10 -1.990 7.695 -3.904 63 HB3 GLU 10 1HB GLU 10 -2.240 5.967 -4.113 64 HG2 GLU 10 2HG GLU 10 -4.117 7.140 -5.003 65 HG3 GLU 10 1HG GLU 10 -4.626 6.321 -3.527 66 H ALA 11 H ALA 11 -1.608 4.249 -2.500 67 HA ALA 11 HA ALA 11 -4.079 2.959 -1.973 68 HB1 ALA 11 1HB ALA 11 -2.418 2.102 -3.573 69 HB2 ALA 11 2HB ALA 11 -2.886 0.905 -2.366 70 HB3 ALA 11 3HB ALA 11 -1.340 1.741 -2.223 71 H ASN 12 H ASN 12 -1.091 3.333 -0.152 72 HA ASN 12 HA ASN 12 -1.933 1.558 1.929 73 HB2 ASN 12 2HB ASN 12 0.447 1.866 1.426 74 HB3 ASN 12 1HB ASN 12 0.343 3.546 1.933 75 HD21 ASN 12 1HD2 ASN 12 0.259 0.232 3.003 76 HD22 ASN 12 2HD2 ASN 12 0.577 0.548 4.673 77 H LYS 13 H LYS 13 -2.239 4.947 1.379 78 HA LYS 13 HA LYS 13 -2.724 5.894 3.972 79 HB2 LYS 13 2HB LYS 13 -2.399 7.360 2.039 80 HB3 LYS 13 1HB LYS 13 -3.887 6.755 1.332 81 HG2 LYS 13 2HG LYS 13 -5.154 7.765 3.189 82 HG3 LYS 13 1HG LYS 13 -3.647 8.406 3.843 83 HD2 LYS 13 2HD LYS 13 -4.828 10.121 2.551 84 HD3 LYS 13 1HD LYS 13 -3.296 9.690 1.792 85 HE2 LYS 13 2HE LYS 13 -4.456 8.274 0.181 86 HE3 LYS 13 1HE LYS 13 -5.996 8.595 0.975 87 HZ1 LYS 13 1HZ LYS 13 -4.309 10.658 -0.347 88 HZ2 LYS 13 2HZ LYS 13 -5.878 10.869 0.243 89 HZ3 LYS 13 3HZ LYS 13 -5.583 9.851 -1.067 90 H SER 14 H SER 14 -4.953 4.715 1.502 91 HA SER 14 HA SER 14 -7.141 4.721 3.364 92 HB2 SER 14 2HB SER 14 -8.287 3.943 1.159 93 HB3 SER 14 1HB SER 14 -7.727 5.614 1.318 94 HG SER 14 HG SER 14 -6.172 3.523 0.200 95 HA PRO 15 HA PRO 15 -6.068 0.430 4.389 96 HB2 PRO 15 2HB PRO 15 -8.425 -0.035 5.791 97 HB3 PRO 15 1HB PRO 15 -6.939 0.624 6.480 98 HG2 PRO 15 2HG PRO 15 -9.385 2.047 5.530 99 HG3 PRO 15 1HG PRO 15 -8.367 2.381 6.942 100 HD2 PRO 15 2HD PRO 15 -8.210 3.861 4.751 101 HD3 PRO 15 1HD PRO 15 -6.749 3.457 5.673 102 H GLU 16 H GLU 16 -9.172 1.408 3.020 103 HA GLU 16 HA GLU 16 -10.071 -1.183 2.341 104 HB2 GLU 16 2HB GLU 16 -11.619 0.680 2.479 105 HB3 GLU 16 1HB GLU 16 -10.786 1.507 1.175 106 HG2 GLU 16 2HG GLU 16 -11.461 -0.233 -0.372 107 HG3 GLU 16 1HG GLU 16 -12.274 -1.095 0.928 108 H GLU 17 H GLU 17 -8.234 1.235 0.522 109 HA GLU 17 HA GLU 17 -8.165 -0.247 -1.911 110 HB2 GLU 17 2HB GLU 17 -6.262 1.878 -0.908 111 HB3 GLU 17 1HB GLU 17 -6.322 1.269 -2.553 112 HG2 GLU 17 2HG GLU 17 -8.517 2.752 -1.136 113 HG3 GLU 17 1HG GLU 17 -7.427 3.422 -2.344 114 H CYS 18 H CYS 18 -6.033 0.064 0.843 115 HA CYS 18 HA CYS 18 -3.964 -1.556 -0.145 116 HB2 CYS 18 2HB CYS 18 -3.753 0.009 1.780 117 HB3 CYS 18 1HB CYS 18 -4.723 -1.099 2.742 118 H LYS 19 H LYS 19 -6.981 -2.290 1.488 119 HA LYS 19 HA LYS 19 -6.360 -5.036 1.980 120 HB2 LYS 19 2HB LYS 19 -8.002 -3.635 3.280 121 HB3 LYS 19 1HB LYS 19 -9.063 -3.692 1.887 122 HG2 LYS 19 2HG LYS 19 -9.785 -5.300 3.508 123 HG3 LYS 19 1HG LYS 19 -9.145 -6.159 2.103 124 HD2 LYS 19 2HD LYS 19 -7.064 -6.575 3.247 125 HD3 LYS 19 1HD LYS 19 -7.575 -5.585 4.615 126 HE2 LYS 19 2HE LYS 19 -9.437 -7.188 4.977 127 HE3 LYS 19 1HE LYS 19 -8.770 -8.192 3.696 128 HZ1 LYS 19 1HZ LYS 19 -6.783 -8.528 4.970 129 HZ2 LYS 19 2HZ LYS 19 -8.103 -8.875 5.971 130 HZ3 LYS 19 3HZ LYS 19 -7.281 -7.429 6.143 131 H LYS 20 H LYS 20 -7.700 -3.171 -0.616 132 HA LYS 20 HA LYS 20 -8.889 -5.294 -2.091 133 HB2 LYS 20 2HB LYS 20 -9.414 -2.894 -2.516 134 HB3 LYS 20 1HB LYS 20 -7.772 -2.649 -3.066 135 HG2 LYS 20 2HG LYS 20 -9.200 -2.814 -4.991 136 HG3 LYS 20 1HG LYS 20 -8.170 -4.243 -4.924 137 HD2 LYS 20 2HD LYS 20 -10.408 -4.922 -5.516 138 HD3 LYS 20 1HD LYS 20 -10.073 -5.488 -3.882 139 HE2 LYS 20 2HE LYS 20 -11.266 -3.550 -2.982 140 HE3 LYS 20 1HE LYS 20 -11.618 -3.006 -4.620 141 HZ1 LYS 20 1HZ LYS 20 -12.899 -5.067 -4.935 142 HZ2 LYS 20 2HZ LYS 20 -13.489 -4.124 -3.679 143 HZ3 LYS 20 3HZ LYS 20 -12.589 -5.499 -3.330 144 H LEU 21 H LEU 21 -5.750 -3.738 -2.039 145 HA LEU 21 HA LEU 21 -4.557 -5.277 -4.097 146 HB2 LEU 21 2HB LEU 21 -3.248 -3.914 -1.741 147 HB3 LEU 21 1HB LEU 21 -2.416 -4.498 -3.164 148 HG LEU 21 HG LEU 21 -4.384 -2.215 -3.048 149 HD11 LEU 21 1HD1 LEU 21 -2.240 -1.664 -2.100 150 HD12 LEU 21 2HD1 LEU 21 -2.444 -0.857 -3.657 151 HD13 LEU 21 3HD1 LEU 21 -1.419 -2.285 -3.531 152 HD21 LEU 21 1HD2 LEU 21 -2.861 -3.329 -5.406 153 HD22 LEU 21 2HD2 LEU 21 -3.799 -1.837 -5.406 154 HD23 LEU 21 3HD2 LEU 21 -4.610 -3.383 -5.173 155 H LYS 22 H LYS 22 -3.314 -7.121 -3.974 156 HA LYS 22 HA LYS 22 -3.804 -8.722 -1.577 157 HB2 LYS 22 2HB LYS 22 -3.332 -10.680 -3.014 158 HB3 LYS 22 1HB LYS 22 -4.687 -9.719 -3.580 159 HG2 LYS 22 2HG LYS 22 -3.204 -8.688 -5.262 160 HG3 LYS 22 1HG LYS 22 -1.897 -9.739 -4.710 161 HD2 LYS 22 2HD LYS 22 -3.238 -11.698 -5.274 162 HD3 LYS 22 1HD LYS 22 -4.545 -10.651 -5.820 163 HE2 LYS 22 2HE LYS 22 -3.087 -9.718 -7.538 164 HE3 LYS 22 1HE LYS 22 -1.771 -10.764 -7.001 165 HZ1 LYS 22 1HZ LYS 22 -4.374 -11.643 -8.081 166 HZ2 LYS 22 2HZ LYS 22 -3.165 -12.678 -7.580 167 HZ3 LYS 22 3HZ LYS 22 -2.917 -11.661 -8.926 Start of MODEL 17 1 H ASN 1 H ASN 1 -1.579 -7.130 -2.901 2 HA ASN 1 HA ASN 1 0.918 -8.598 -2.461 3 HB2 ASN 1 2HB ASN 1 0.265 -6.261 -4.263 4 HB3 ASN 1 1HB ASN 1 1.912 -6.785 -3.953 5 HD21 ASN 1 1HD2 ASN 1 0.333 -6.646 -6.399 6 HD22 ASN 1 2HD2 ASN 1 0.401 -8.210 -7.101 7 HA PRO 2 HA PRO 2 1.010 -5.720 1.075 8 HB2 PRO 2 2HB PRO 2 3.304 -6.826 2.172 9 HB3 PRO 2 1HB PRO 2 1.663 -7.370 2.522 10 HG2 PRO 2 2HG PRO 2 3.690 -8.521 0.673 11 HG3 PRO 2 1HG PRO 2 2.496 -9.350 1.683 12 HD2 PRO 2 2HD PRO 2 2.201 -9.044 -0.975 13 HD3 PRO 2 1HD PRO 2 0.814 -9.077 0.128 14 H GLU 3 H GLU 3 4.004 -6.736 -0.508 15 HA GLU 3 HA GLU 3 5.545 -4.485 0.018 16 HB2 GLU 3 2HB GLU 3 6.902 -5.261 -1.953 17 HB3 GLU 3 1HB GLU 3 6.620 -6.467 -0.706 18 HG2 GLU 3 2HG GLU 3 4.874 -7.477 -2.053 19 HG3 GLU 3 1HG GLU 3 5.090 -6.235 -3.283 20 H ASP 4 H ASP 4 3.373 -5.138 -2.643 21 HA ASP 4 HA ASP 4 4.042 -2.845 -4.190 22 HB2 ASP 4 2HB ASP 4 2.978 -4.739 -5.257 23 HB3 ASP 4 1HB ASP 4 1.588 -4.592 -4.188 24 H CYS 5 H CYS 5 1.463 -3.574 -1.887 25 HA CYS 5 HA CYS 5 0.221 -1.063 -2.033 26 HB2 CYS 5 2HB CYS 5 -0.937 -2.951 -1.018 27 HB3 CYS 5 1HB CYS 5 0.287 -3.064 0.243 28 H ARG 6 H ARG 6 2.974 -2.219 -0.182 29 HA ARG 6 HA ARG 6 3.127 0.079 1.457 30 HB2 ARG 6 2HB ARG 6 4.132 -2.121 2.065 31 HB3 ARG 6 1HB ARG 6 5.328 -1.891 0.803 32 HG2 ARG 6 2HG ARG 6 6.239 -1.340 3.001 33 HG3 ARG 6 1HG ARG 6 6.188 0.081 1.951 34 HD2 ARG 6 2HD ARG 6 4.097 0.784 3.016 35 HD3 ARG 6 1HD ARG 6 4.173 -0.615 4.084 36 HE ARG 6 HE ARG 6 6.388 0.449 4.772 37 HH11 ARG 6 1HH1 ARG 6 3.542 2.280 3.757 38 HH12 ARG 6 2HH1 ARG 6 3.794 3.572 4.836 39 HH21 ARG 6 1HH2 ARG 6 6.764 2.301 6.272 40 HH22 ARG 6 2HH2 ARG 6 5.646 3.590 6.290 41 H GLN 7 H GLN 7 4.084 -0.625 -1.735 42 HA GLN 7 HA GLN 7 6.152 1.329 -1.974 43 HB2 GLN 7 2HB GLN 7 6.033 -0.669 -3.433 44 HB3 GLN 7 1HB GLN 7 4.516 -0.090 -4.091 45 HG2 GLN 7 2HG GLN 7 6.339 0.321 -5.624 46 HG3 GLN 7 1HG GLN 7 5.647 1.833 -5.049 47 HE21 GLN 7 1HE2 GLN 7 7.861 -0.116 -3.108 48 HE22 GLN 7 2HE2 GLN 7 9.178 0.982 -3.224 49 H ASP 8 H ASP 8 2.719 1.290 -2.172 50 HA ASP 8 HA ASP 8 2.671 3.914 -3.402 51 HB2 ASP 8 2HB ASP 8 0.525 1.894 -2.896 52 HB3 ASP 8 1HB ASP 8 0.123 3.575 -3.219 53 HA PRO 9 HA PRO 9 1.983 5.819 0.606 54 HB2 PRO 9 2HB PRO 9 1.404 8.191 -1.052 55 HB3 PRO 9 1HB PRO 9 2.636 7.991 0.196 56 HG2 PRO 9 2HG PRO 9 3.283 8.144 -2.388 57 HG3 PRO 9 1HG PRO 9 4.158 7.083 -1.266 58 HD2 PRO 9 2HD PRO 9 2.054 6.398 -3.277 59 HD3 PRO 9 1HD PRO 9 3.573 5.556 -2.882 60 H GLU 10 H GLU 10 0.012 5.333 -2.041 61 HA GLU 10 HA GLU 10 -2.355 6.753 -1.567 62 HB2 GLU 10 2HB GLU 10 -1.528 5.174 -3.531 63 HB3 GLU 10 1HB GLU 10 -2.454 3.977 -2.638 64 HG2 GLU 10 2HG GLU 10 -3.903 4.843 -4.263 65 HG3 GLU 10 1HG GLU 10 -4.388 5.590 -2.741 66 H ALA 11 H ALA 11 -1.061 3.861 -0.127 67 HA ALA 11 HA ALA 11 -3.435 2.852 1.034 68 HB1 ALA 11 1HB ALA 11 -1.437 1.490 0.656 69 HB2 ALA 11 2HB ALA 11 -1.969 1.431 2.337 70 HB3 ALA 11 3HB ALA 11 -0.584 2.424 1.884 71 H ASN 12 H ASN 12 -1.386 5.467 1.918 72 HA ASN 12 HA ASN 12 -2.127 5.482 4.714 73 HB2 ASN 12 2HB ASN 12 0.030 6.458 3.969 74 HB3 ASN 12 1HB ASN 12 -0.840 7.643 3.003 75 HD21 ASN 12 1HD2 ASN 12 0.078 9.361 4.100 76 HD22 ASN 12 2HD2 ASN 12 -0.373 9.764 5.721 77 H LYS 13 H LYS 13 -3.335 6.575 1.748 78 HA LYS 13 HA LYS 13 -5.131 8.565 2.862 79 HB2 LYS 13 2HB LYS 13 -3.950 8.888 0.710 80 HB3 LYS 13 1HB LYS 13 -4.799 7.504 0.053 81 HG2 LYS 13 2HG LYS 13 -6.941 8.741 0.443 82 HG3 LYS 13 1HG LYS 13 -5.970 10.153 0.870 83 HD2 LYS 13 2HD LYS 13 -5.808 8.666 -1.753 84 HD3 LYS 13 1HD LYS 13 -6.690 10.170 -1.505 85 HE2 LYS 13 2HE LYS 13 -4.662 11.356 -1.064 86 HE3 LYS 13 1HE LYS 13 -3.730 9.863 -1.015 87 HZ1 LYS 13 1HZ LYS 13 -5.149 10.851 -3.418 88 HZ2 LYS 13 2HZ LYS 13 -4.092 9.526 -3.302 89 HZ3 LYS 13 3HZ LYS 13 -3.510 11.095 -3.107 90 H SER 14 H SER 14 -5.398 5.616 0.841 91 HA SER 14 HA SER 14 -7.855 4.973 2.241 92 HB2 SER 14 2HB SER 14 -8.511 4.014 -0.107 93 HB3 SER 14 1HB SER 14 -8.722 5.732 0.235 94 HG SER 14 HG SER 14 -7.109 4.522 -1.623 95 HA PRO 15 HA PRO 15 -5.306 1.220 2.529 96 HB2 PRO 15 2HB PRO 15 -6.157 0.432 4.959 97 HB3 PRO 15 1HB PRO 15 -4.952 1.708 4.759 98 HG2 PRO 15 2HG PRO 15 -7.855 1.927 5.395 99 HG3 PRO 15 1HG PRO 15 -6.503 2.903 5.983 100 HD2 PRO 15 2HD PRO 15 -8.257 3.640 3.958 101 HD3 PRO 15 1HD PRO 15 -6.653 4.349 4.222 102 H GLU 16 H GLU 16 -8.643 1.767 2.469 103 HA GLU 16 HA GLU 16 -9.687 -0.808 2.854 104 HB2 GLU 16 2HB GLU 16 -11.055 1.225 2.873 105 HB3 GLU 16 1HB GLU 16 -10.761 1.451 1.160 106 HG2 GLU 16 2HG GLU 16 -11.971 -0.603 0.676 107 HG3 GLU 16 1HG GLU 16 -12.241 -0.852 2.402 108 H GLU 17 H GLU 17 -8.566 0.832 -0.090 109 HA GLU 17 HA GLU 17 -9.138 -1.416 -1.721 110 HB2 GLU 17 2HB GLU 17 -7.923 -0.230 -3.484 111 HB3 GLU 17 1HB GLU 17 -9.082 0.820 -2.690 112 HG2 GLU 17 2HG GLU 17 -7.229 1.786 -1.368 113 HG3 GLU 17 1HG GLU 17 -6.114 0.766 -2.282 114 H CYS 18 H CYS 18 -6.535 -0.585 0.344 115 HA CYS 18 HA CYS 18 -4.607 -2.333 -0.836 116 HB2 CYS 18 2HB CYS 18 -3.907 -0.497 0.704 117 HB3 CYS 18 1HB CYS 18 -4.730 -1.319 2.021 118 H LYS 19 H LYS 19 -7.147 -2.626 1.552 119 HA LYS 19 HA LYS 19 -6.594 -5.293 2.347 120 HB2 LYS 19 2HB LYS 19 -9.242 -3.854 2.193 121 HB3 LYS 19 1HB LYS 19 -8.964 -5.383 3.014 122 HG2 LYS 19 2HG LYS 19 -7.460 -4.271 4.578 123 HG3 LYS 19 1HG LYS 19 -7.714 -2.738 3.740 124 HD2 LYS 19 2HD LYS 19 -9.101 -2.880 5.753 125 HD3 LYS 19 1HD LYS 19 -10.103 -2.836 4.303 126 HE2 LYS 19 2HE LYS 19 -10.379 -5.265 4.411 127 HE3 LYS 19 1HE LYS 19 -9.341 -5.323 5.835 128 HZ1 LYS 19 1HZ LYS 19 -11.659 -5.439 6.367 129 HZ2 LYS 19 2HZ LYS 19 -11.960 -3.960 5.625 130 HZ3 LYS 19 3HZ LYS 19 -10.978 -4.032 7.024 131 H LYS 20 H LYS 20 -8.181 -3.890 -0.366 132 HA LYS 20 HA LYS 20 -9.373 -6.230 -1.458 133 HB2 LYS 20 2HB LYS 20 -10.130 -3.996 -2.062 134 HB3 LYS 20 1HB LYS 20 -8.547 -3.604 -2.692 135 HG2 LYS 20 2HG LYS 20 -8.842 -5.170 -4.509 136 HG3 LYS 20 1HG LYS 20 -10.400 -5.677 -3.849 137 HD2 LYS 20 2HD LYS 20 -11.227 -3.386 -4.079 138 HD3 LYS 20 1HD LYS 20 -9.683 -2.901 -4.766 139 HE2 LYS 20 2HE LYS 20 -10.017 -4.333 -6.665 140 HE3 LYS 20 1HE LYS 20 -11.487 -5.000 -5.959 141 HZ1 LYS 20 1HZ LYS 20 -11.931 -3.299 -7.648 142 HZ2 LYS 20 2HZ LYS 20 -11.119 -2.151 -6.737 143 HZ3 LYS 20 3HZ LYS 20 -12.536 -2.843 -6.147 144 H LEU 21 H LEU 21 -6.345 -4.515 -1.953 145 HA LEU 21 HA LEU 21 -5.233 -6.229 -3.925 146 HB2 LEU 21 2HB LEU 21 -3.897 -4.442 -1.906 147 HB3 LEU 21 1HB LEU 21 -3.092 -5.177 -3.270 148 HG LEU 21 HG LEU 21 -5.277 -3.104 -3.409 149 HD11 LEU 21 1HD1 LEU 21 -2.324 -2.953 -3.941 150 HD12 LEU 21 2HD1 LEU 21 -3.188 -2.206 -2.595 151 HD13 LEU 21 3HD1 LEU 21 -3.487 -1.667 -4.248 152 HD21 LEU 21 1HD2 LEU 21 -5.369 -4.614 -5.332 153 HD22 LEU 21 2HD2 LEU 21 -3.643 -4.383 -5.606 154 HD23 LEU 21 3HD2 LEU 21 -4.753 -3.032 -5.809 155 H LYS 22 H LYS 22 -3.349 -7.628 -3.559 156 HA LYS 22 HA LYS 22 -3.273 -8.724 -0.860 157 HB2 LYS 22 2HB LYS 22 -3.149 -11.032 -1.716 158 HB3 LYS 22 1HB LYS 22 -4.683 -10.260 -2.058 159 HG2 LYS 22 2HG LYS 22 -3.959 -9.909 -4.381 160 HG3 LYS 22 1HG LYS 22 -2.434 -10.726 -4.009 161 HD2 LYS 22 2HD LYS 22 -3.676 -12.742 -3.358 162 HD3 LYS 22 1HD LYS 22 -5.188 -11.927 -3.744 163 HE2 LYS 22 2HE LYS 22 -4.504 -11.763 -6.082 164 HE3 LYS 22 1HE LYS 22 -2.975 -12.550 -5.694 165 HZ1 LYS 22 1HZ LYS 22 -4.587 -14.099 -6.616 166 HZ2 LYS 22 2HZ LYS 22 -5.665 -13.763 -5.375 167 HZ3 LYS 22 3HZ LYS 22 -4.202 -14.522 -5.031 Start of MODEL 18 1 H ASN 1 H ASN 1 -1.312 -7.562 -2.683 2 HA ASN 1 HA ASN 1 0.180 -8.985 -0.577 3 HB2 ASN 1 2HB ASN 1 1.209 -7.831 -3.181 4 HB3 ASN 1 1HB ASN 1 2.255 -8.411 -1.898 5 HD21 ASN 1 1HD2 ASN 1 1.984 -9.296 -4.640 6 HD22 ASN 1 2HD2 ASN 1 1.595 -10.966 -4.603 7 HA PRO 2 HA PRO 2 -0.122 -4.837 1.309 8 HB2 PRO 2 2HB PRO 2 1.557 -6.384 3.236 9 HB3 PRO 2 1HB PRO 2 0.207 -5.283 3.554 10 HG2 PRO 2 2HG PRO 2 -0.190 -7.879 3.692 11 HG3 PRO 2 1HG PRO 2 -1.390 -6.847 2.888 12 HD2 PRO 2 2HD PRO 2 0.664 -8.655 1.695 13 HD3 PRO 2 1HD PRO 2 -1.007 -8.343 1.178 14 H GLU 3 H GLU 3 2.804 -6.803 1.006 15 HA GLU 3 HA GLU 3 4.698 -4.773 1.487 16 HB2 GLU 3 2HB GLU 3 5.114 -7.249 1.469 17 HB3 GLU 3 1HB GLU 3 5.000 -7.209 -0.280 18 HG2 GLU 3 2HG GLU 3 7.300 -7.267 0.411 19 HG3 GLU 3 1HG GLU 3 6.943 -5.718 -0.350 20 H ASP 4 H ASP 4 3.122 -5.910 -1.440 21 HA ASP 4 HA ASP 4 4.580 -4.152 -3.195 22 HB2 ASP 4 2HB ASP 4 3.687 -6.362 -3.908 23 HB3 ASP 4 1HB ASP 4 2.062 -5.731 -3.707 24 H CYS 5 H CYS 5 1.659 -4.113 -1.405 25 HA CYS 5 HA CYS 5 0.314 -1.980 -2.650 26 HB2 CYS 5 2HB CYS 5 -0.785 -3.553 -1.091 27 HB3 CYS 5 1HB CYS 5 0.191 -2.927 0.226 28 H ARG 6 H ARG 6 2.995 -2.097 -0.483 29 HA ARG 6 HA ARG 6 2.784 0.568 0.516 30 HB2 ARG 6 2HB ARG 6 5.220 -1.216 0.396 31 HB3 ARG 6 1HB ARG 6 5.065 0.249 1.347 32 HG2 ARG 6 2HG ARG 6 3.499 -2.297 1.718 33 HG3 ARG 6 1HG ARG 6 4.813 -1.711 2.734 34 HD2 ARG 6 2HD ARG 6 2.156 -0.333 2.324 35 HD3 ARG 6 1HD ARG 6 2.619 -1.292 3.723 36 HE ARG 6 HE ARG 6 4.512 0.730 3.344 37 HH11 ARG 6 1HH1 ARG 6 1.160 0.303 4.424 38 HH12 ARG 6 2HH1 ARG 6 1.169 1.708 5.399 39 HH21 ARG 6 1HH2 ARG 6 4.504 2.631 4.718 40 HH22 ARG 6 2HH2 ARG 6 3.086 3.030 5.583 41 H GLN 7 H GLN 7 3.407 -0.450 -2.542 42 HA GLN 7 HA GLN 7 5.487 1.444 -3.157 43 HB2 GLN 7 2HB GLN 7 5.265 -0.711 -4.389 44 HB3 GLN 7 1HB GLN 7 3.731 -0.155 -5.034 45 HG2 GLN 7 2HG GLN 7 4.869 1.679 -6.180 46 HG3 GLN 7 1HG GLN 7 6.409 1.134 -5.527 47 HE21 GLN 7 1HE2 GLN 7 5.740 -1.714 -5.900 48 HE22 GLN 7 2HE2 GLN 7 5.870 -1.978 -7.596 49 H ASP 8 H ASP 8 2.023 1.401 -3.016 50 HA ASP 8 HA ASP 8 1.958 3.941 -4.431 51 HB2 ASP 8 2HB ASP 8 -0.206 1.881 -3.998 52 HB3 ASP 8 1HB ASP 8 -0.576 3.523 -4.499 53 HA PRO 9 HA PRO 9 1.177 5.803 -0.555 54 HB2 PRO 9 2HB PRO 9 0.652 8.278 -1.281 55 HB3 PRO 9 1HB PRO 9 2.207 7.535 -1.679 56 HG2 PRO 9 2HG PRO 9 -0.171 7.992 -3.425 57 HG3 PRO 9 1HG PRO 9 1.548 8.163 -3.811 58 HD2 PRO 9 2HD PRO 9 -0.053 5.938 -4.395 59 HD3 PRO 9 1HD PRO 9 1.726 5.971 -4.399 60 H GLU 10 H GLU 10 -1.528 4.997 -2.401 61 HA GLU 10 HA GLU 10 -3.311 6.823 -1.038 62 HB2 GLU 10 2HB GLU 10 -3.639 6.062 -3.439 63 HB3 GLU 10 1HB GLU 10 -4.090 4.492 -2.797 64 HG2 GLU 10 2HG GLU 10 -6.000 5.424 -1.700 65 HG3 GLU 10 1HG GLU 10 -5.494 7.061 -2.117 66 H ALA 11 H ALA 11 -2.076 3.699 -0.662 67 HA ALA 11 HA ALA 11 -3.788 2.671 1.312 68 HB1 ALA 11 1HB ALA 11 -1.902 1.241 1.910 69 HB2 ALA 11 2HB ALA 11 -0.818 2.276 0.980 70 HB3 ALA 11 3HB ALA 11 -2.076 1.354 0.159 71 H ASN 12 H ASN 12 -1.745 5.348 1.404 72 HA ASN 12 HA ASN 12 -1.346 5.302 4.285 73 HB2 ASN 12 2HB ASN 12 -0.577 7.363 2.207 74 HB3 ASN 12 1HB ASN 12 -0.227 7.510 3.922 75 HD21 ASN 12 1HD2 ASN 12 1.331 6.149 4.834 76 HD22 ASN 12 2HD2 ASN 12 2.488 5.323 3.854 77 H LYS 13 H LYS 13 -3.752 6.140 2.200 78 HA LYS 13 HA LYS 13 -4.803 8.297 3.886 79 HB2 LYS 13 2HB LYS 13 -5.691 7.232 1.198 80 HB3 LYS 13 1HB LYS 13 -6.557 8.467 2.092 81 HG2 LYS 13 2HG LYS 13 -3.712 8.737 1.142 82 HG3 LYS 13 1HG LYS 13 -5.121 9.345 0.270 83 HD2 LYS 13 2HD LYS 13 -5.687 10.762 2.201 84 HD3 LYS 13 1HD LYS 13 -4.257 10.172 3.049 85 HE2 LYS 13 2HE LYS 13 -2.830 11.093 1.338 86 HE3 LYS 13 1HE LYS 13 -4.229 11.633 0.409 87 HZ1 LYS 13 1HZ LYS 13 -4.782 13.127 2.251 88 HZ2 LYS 13 2HZ LYS 13 -3.245 13.427 1.654 89 HZ3 LYS 13 3HZ LYS 13 -3.425 12.608 3.105 90 H SER 14 H SER 14 -5.624 5.122 2.578 91 HA SER 14 HA SER 14 -7.231 4.558 4.885 92 HB2 SER 14 2HB SER 14 -9.150 3.861 3.367 93 HB3 SER 14 1HB SER 14 -8.890 5.603 3.464 94 HG SER 14 HG SER 14 -8.598 5.592 1.420 95 HA PRO 15 HA PRO 15 -5.492 0.535 3.965 96 HB2 PRO 15 2HB PRO 15 -7.351 -1.167 4.931 97 HB3 PRO 15 1HB PRO 15 -6.378 -0.144 5.995 98 HG2 PRO 15 2HG PRO 15 -9.167 0.296 4.998 99 HG3 PRO 15 1HG PRO 15 -8.536 0.456 6.649 100 HD2 PRO 15 2HD PRO 15 -8.897 2.590 5.050 101 HD3 PRO 15 1HD PRO 15 -7.555 2.502 6.210 102 H GLU 16 H GLU 16 -8.182 1.655 2.409 103 HA GLU 16 HA GLU 16 -9.450 -0.452 1.162 104 HB2 GLU 16 2HB GLU 16 -10.018 2.044 1.145 105 HB3 GLU 16 1HB GLU 16 -8.889 2.174 -0.184 106 HG2 GLU 16 2HG GLU 16 -11.157 2.007 -0.997 107 HG3 GLU 16 1HG GLU 16 -10.210 0.596 -1.479 108 H GLU 17 H GLU 17 -6.597 1.343 0.051 109 HA GLU 17 HA GLU 17 -6.300 -0.070 -2.340 110 HB2 GLU 17 2HB GLU 17 -5.299 2.120 -2.003 111 HB3 GLU 17 1HB GLU 17 -4.266 1.487 -0.736 112 HG2 GLU 17 2HG GLU 17 -2.941 0.305 -2.274 113 HG3 GLU 17 1HG GLU 17 -4.134 0.489 -3.560 114 H CYS 18 H CYS 18 -5.018 -0.738 0.885 115 HA CYS 18 HA CYS 18 -3.588 -3.018 -0.145 116 HB2 CYS 18 2HB CYS 18 -3.955 -2.053 2.693 117 HB3 CYS 18 1HB CYS 18 -3.072 -3.517 2.282 118 H LYS 19 H LYS 19 -6.751 -2.437 0.733 119 HA LYS 19 HA LYS 19 -7.361 -5.247 1.205 120 HB2 LYS 19 2HB LYS 19 -9.161 -2.853 0.722 121 HB3 LYS 19 1HB LYS 19 -9.747 -4.477 1.020 122 HG2 LYS 19 2HG LYS 19 -8.134 -2.813 2.946 123 HG3 LYS 19 1HG LYS 19 -9.878 -3.072 3.013 124 HD2 LYS 19 2HD LYS 19 -9.483 -5.489 3.269 125 HD3 LYS 19 1HD LYS 19 -7.745 -5.186 3.256 126 HE2 LYS 19 2HE LYS 19 -7.993 -3.781 5.247 127 HE3 LYS 19 1HE LYS 19 -9.719 -4.135 5.273 128 HZ1 LYS 19 1HZ LYS 19 -7.528 -6.108 5.585 129 HZ2 LYS 19 2HZ LYS 19 -9.170 -6.486 5.551 130 HZ3 LYS 19 3HZ LYS 19 -8.551 -5.567 6.810 131 H LYS 20 H LYS 20 -6.984 -3.054 -1.330 132 HA LYS 20 HA LYS 20 -8.458 -4.538 -3.310 133 HB2 LYS 20 2HB LYS 20 -8.040 -1.977 -3.238 134 HB3 LYS 20 1HB LYS 20 -6.429 -2.364 -3.779 135 HG2 LYS 20 2HG LYS 20 -7.776 -1.727 -5.674 136 HG3 LYS 20 1HG LYS 20 -7.348 -3.436 -5.792 137 HD2 LYS 20 2HD LYS 20 -9.693 -3.065 -6.381 138 HD3 LYS 20 1HD LYS 20 -9.560 -4.057 -4.931 139 HE2 LYS 20 2HE LYS 20 -9.960 -2.010 -3.561 140 HE3 LYS 20 1HE LYS 20 -10.177 -1.106 -5.061 141 HZ1 LYS 20 1HZ LYS 20 -11.831 -3.360 -4.099 142 HZ2 LYS 20 2HZ LYS 20 -12.042 -2.564 -5.570 143 HZ3 LYS 20 3HZ LYS 20 -12.264 -1.724 -4.113 144 H LEU 21 H LEU 21 -5.102 -3.705 -2.622 145 HA LEU 21 HA LEU 21 -4.087 -5.670 -4.451 146 HB2 LEU 21 2HB LEU 21 -2.805 -3.709 -2.563 147 HB3 LEU 21 1HB LEU 21 -1.859 -4.953 -3.346 148 HG LEU 21 HG LEU 21 -2.428 -3.999 -5.554 149 HD11 LEU 21 1HD1 LEU 21 -3.827 -1.838 -4.006 150 HD12 LEU 21 2HD1 LEU 21 -4.587 -3.026 -5.073 151 HD13 LEU 21 3HD1 LEU 21 -3.468 -1.827 -5.732 152 HD21 LEU 21 1HD2 LEU 21 -0.421 -3.266 -4.381 153 HD22 LEU 21 2HD2 LEU 21 -1.366 -1.954 -3.650 154 HD23 LEU 21 3HD2 LEU 21 -1.116 -1.994 -5.390 155 H LYS 22 H LYS 22 -3.330 -7.624 -3.945 156 HA LYS 22 HA LYS 22 -4.214 -8.601 -1.379 157 HB2 LYS 22 2HB LYS 22 -3.184 -10.064 -3.803 158 HB3 LYS 22 1HB LYS 22 -3.730 -10.847 -2.325 159 HG2 LYS 22 2HG LYS 22 -5.955 -9.925 -2.618 160 HG3 LYS 22 1HG LYS 22 -5.427 -9.061 -4.061 161 HD2 LYS 22 2HD LYS 22 -4.984 -11.156 -5.187 162 HD3 LYS 22 1HD LYS 22 -5.399 -12.058 -3.731 163 HE2 LYS 22 2HE LYS 22 -7.275 -10.283 -5.305 164 HE3 LYS 22 1HE LYS 22 -7.231 -12.040 -5.382 165 HZ1 LYS 22 1HZ LYS 22 -9.003 -11.264 -3.910 166 HZ2 LYS 22 2HZ LYS 22 -7.910 -10.423 -2.979 167 HZ3 LYS 22 3HZ LYS 22 -7.850 -12.099 -3.014 Start of MODEL 19 1 H ASN 1 H ASN 1 -1.959 -6.659 -1.869 2 HA ASN 1 HA ASN 1 0.689 -7.914 -2.003 3 HB2 ASN 1 2HB ASN 1 -0.311 -5.626 -3.722 4 HB3 ASN 1 1HB ASN 1 1.353 -6.179 -3.664 5 HD21 ASN 1 1HD2 ASN 1 -0.616 -6.013 -5.821 6 HD22 ASN 1 2HD2 ASN 1 -0.676 -7.582 -6.534 7 HA PRO 2 HA PRO 2 0.261 -4.792 1.364 8 HB2 PRO 2 2HB PRO 2 2.135 -5.906 3.003 9 HB3 PRO 2 1HB PRO 2 0.440 -6.395 2.975 10 HG2 PRO 2 2HG PRO 2 2.797 -7.675 1.649 11 HG3 PRO 2 1HG PRO 2 1.446 -8.438 2.505 12 HD2 PRO 2 2HD PRO 2 1.574 -8.341 -0.176 13 HD3 PRO 2 1HD PRO 2 0.026 -8.240 0.688 14 H GLU 3 H GLU 3 3.215 -5.996 -0.130 15 HA GLU 3 HA GLU 3 4.782 -3.785 0.806 16 HB2 GLU 3 2HB GLU 3 5.393 -5.841 -1.332 17 HB3 GLU 3 1HB GLU 3 6.519 -4.653 -0.716 18 HG2 GLU 3 2HG GLU 3 5.221 -6.798 0.931 19 HG3 GLU 3 1HG GLU 3 6.862 -6.847 0.285 20 H ASP 4 H ASP 4 2.985 -4.622 -2.042 21 HA ASP 4 HA ASP 4 3.934 -2.441 -3.606 22 HB2 ASP 4 2HB ASP 4 2.909 -4.420 -4.663 23 HB3 ASP 4 1HB ASP 4 1.369 -4.014 -3.911 24 H CYS 5 H CYS 5 1.203 -2.909 -1.432 25 HA CYS 5 HA CYS 5 -0.087 -0.445 -1.672 26 HB2 CYS 5 2HB CYS 5 0.473 -1.949 0.882 27 HB3 CYS 5 1HB CYS 5 -0.678 -0.639 0.711 28 H ARG 6 H ARG 6 2.931 -1.275 -0.062 29 HA ARG 6 HA ARG 6 3.082 1.294 1.218 30 HB2 ARG 6 2HB ARG 6 3.999 -0.732 2.311 31 HB3 ARG 6 1HB ARG 6 5.187 -0.865 1.020 32 HG2 ARG 6 2HG ARG 6 6.138 1.276 1.645 33 HG3 ARG 6 1HG ARG 6 4.925 1.456 2.909 34 HD2 ARG 6 2HD ARG 6 5.815 -0.534 4.027 35 HD3 ARG 6 1HD ARG 6 7.040 -0.689 2.764 36 HE ARG 6 HE ARG 6 6.926 1.858 4.064 37 HH11 ARG 6 1HH1 ARG 6 8.408 -1.369 4.181 38 HH12 ARG 6 2HH1 ARG 6 9.789 -0.834 5.015 39 HH21 ARG 6 1HH2 ARG 6 8.896 2.559 5.172 40 HH22 ARG 6 2HH2 ARG 6 10.089 1.395 5.552 41 H GLN 7 H GLN 7 4.149 -0.195 -1.677 42 HA GLN 7 HA GLN 7 6.195 1.642 -2.353 43 HB2 GLN 7 2HB GLN 7 6.020 -0.620 -3.304 44 HB3 GLN 7 1HB GLN 7 4.547 -0.157 -4.135 45 HG2 GLN 7 2HG GLN 7 5.753 1.399 -5.513 46 HG3 GLN 7 1HG GLN 7 7.234 1.108 -4.605 47 HE21 GLN 7 1HE2 GLN 7 6.815 -1.775 -4.413 48 HE22 GLN 7 2HE2 GLN 7 7.116 -2.397 -5.983 49 H ASP 8 H ASP 8 2.734 1.590 -2.773 50 HA ASP 8 HA ASP 8 2.859 4.213 -4.078 51 HB2 ASP 8 2HB ASP 8 0.523 2.368 -3.534 52 HB3 ASP 8 1HB ASP 8 0.324 4.010 -4.121 53 HA PRO 9 HA PRO 9 2.970 5.737 0.150 54 HB2 PRO 9 2HB PRO 9 2.280 8.191 -1.399 55 HB3 PRO 9 1HB PRO 9 3.462 7.988 -0.099 56 HG2 PRO 9 2HG PRO 9 4.283 8.100 -2.604 57 HG3 PRO 9 1HG PRO 9 4.992 6.917 -1.493 58 HD2 PRO 9 2HD PRO 9 3.018 6.495 -3.690 59 HD3 PRO 9 1HD PRO 9 4.328 5.441 -3.122 60 H GLU 10 H GLU 10 0.433 6.855 -2.105 61 HA GLU 10 HA GLU 10 -1.321 7.477 0.071 62 HB2 GLU 10 2HB GLU 10 -1.326 8.827 -1.987 63 HB3 GLU 10 1HB GLU 10 -1.896 7.437 -2.897 64 HG2 GLU 10 2HG GLU 10 -3.982 7.447 -1.684 65 HG3 GLU 10 1HG GLU 10 -3.408 8.752 -0.651 66 H ALA 11 H ALA 11 -0.630 4.537 -1.501 67 HA ALA 11 HA ALA 11 -3.280 3.436 -1.330 68 HB1 ALA 11 1HB ALA 11 -1.637 2.529 -2.924 69 HB2 ALA 11 2HB ALA 11 -2.233 1.284 -1.825 70 HB3 ALA 11 3HB ALA 11 -0.637 1.992 -1.574 71 H ASN 12 H ASN 12 -0.921 4.156 0.873 72 HA ASN 12 HA ASN 12 -1.726 2.171 2.845 73 HB2 ASN 12 2HB ASN 12 0.095 4.574 3.206 74 HB3 ASN 12 1HB ASN 12 -0.146 3.283 4.372 75 HD21 ASN 12 1HD2 ASN 12 1.440 4.304 1.533 76 HD22 ASN 12 2HD2 ASN 12 2.448 2.929 1.313 77 H LYS 13 H LYS 13 -2.815 5.155 1.719 78 HA LYS 13 HA LYS 13 -3.844 6.026 4.299 79 HB2 LYS 13 2HB LYS 13 -2.822 7.641 2.632 80 HB3 LYS 13 1HB LYS 13 -4.218 7.353 1.606 81 HG2 LYS 13 2HG LYS 13 -5.688 8.241 3.341 82 HG3 LYS 13 1HG LYS 13 -4.295 8.501 4.392 83 HD2 LYS 13 2HD LYS 13 -3.351 9.990 2.607 84 HD3 LYS 13 1HD LYS 13 -4.892 9.847 1.762 85 HE2 LYS 13 2HE LYS 13 -4.499 10.934 4.550 86 HE3 LYS 13 1HE LYS 13 -4.746 11.901 3.104 87 HZ1 LYS 13 1HZ LYS 13 -6.768 11.688 4.338 88 HZ2 LYS 13 2HZ LYS 13 -6.698 10.008 4.307 89 HZ3 LYS 13 3HZ LYS 13 -6.952 10.874 2.880 90 H SER 14 H SER 14 -4.872 4.447 1.373 91 HA SER 14 HA SER 14 -7.597 4.523 2.351 92 HB2 SER 14 2HB SER 14 -8.039 3.609 -0.016 93 HB3 SER 14 1HB SER 14 -7.534 5.293 0.122 94 HG SER 14 HG SER 14 -6.470 3.831 -1.480 95 HA PRO 15 HA PRO 15 -6.250 0.478 3.922 96 HB2 PRO 15 2HB PRO 15 -8.952 0.577 5.138 97 HB3 PRO 15 1HB PRO 15 -7.395 0.295 5.911 98 HG2 PRO 15 2HG PRO 15 -8.638 2.614 6.242 99 HG3 PRO 15 1HG PRO 15 -6.880 2.552 6.017 100 HD2 PRO 15 2HD PRO 15 -9.011 3.256 4.033 101 HD3 PRO 15 1HD PRO 15 -7.440 4.036 4.338 102 H GLU 16 H GLU 16 -9.466 1.209 2.701 103 HA GLU 16 HA GLU 16 -10.361 -1.364 2.193 104 HB2 GLU 16 2HB GLU 16 -11.924 -0.343 0.571 105 HB3 GLU 16 1HB GLU 16 -11.889 0.491 2.114 106 HG2 GLU 16 2HG GLU 16 -10.523 2.256 1.165 107 HG3 GLU 16 1HG GLU 16 -10.440 1.389 -0.368 108 H GLU 17 H GLU 17 -8.359 0.722 0.164 109 HA GLU 17 HA GLU 17 -8.557 -0.995 -2.087 110 HB2 GLU 17 2HB GLU 17 -6.519 1.155 -1.531 111 HB3 GLU 17 1HB GLU 17 -6.770 0.355 -3.076 112 HG2 GLU 17 2HG GLU 17 -9.127 1.209 -3.007 113 HG3 GLU 17 1HG GLU 17 -8.643 2.193 -1.628 114 H CYS 18 H CYS 18 -6.180 -0.550 0.463 115 HA CYS 18 HA CYS 18 -4.424 -2.477 -0.671 116 HB2 CYS 18 2HB CYS 18 -3.602 -0.711 0.865 117 HB3 CYS 18 1HB CYS 18 -4.479 -1.481 2.187 118 H LYS 19 H LYS 19 -7.210 -2.696 1.326 119 HA LYS 19 HA LYS 19 -6.640 -5.424 2.079 120 HB2 LYS 19 2HB LYS 19 -9.092 -3.707 2.457 121 HB3 LYS 19 1HB LYS 19 -8.964 -5.373 3.011 122 HG2 LYS 19 2HG LYS 19 -7.094 -3.174 3.864 123 HG3 LYS 19 1HG LYS 19 -8.526 -3.656 4.772 124 HD2 LYS 19 2HD LYS 19 -7.639 -5.856 5.131 125 HD3 LYS 19 1HD LYS 19 -6.298 -5.561 4.031 126 HE2 LYS 19 2HE LYS 19 -5.651 -5.425 6.408 127 HE3 LYS 19 1HE LYS 19 -5.363 -3.933 5.521 128 HZ1 LYS 19 1HZ LYS 19 -7.736 -4.406 7.247 129 HZ2 LYS 19 2HZ LYS 19 -7.264 -2.940 6.540 130 HZ3 LYS 19 3HZ LYS 19 -6.338 -3.623 7.736 131 H LYS 20 H LYS 20 -8.257 -3.750 -0.432 132 HA LYS 20 HA LYS 20 -9.615 -6.036 -1.485 133 HB2 LYS 20 2HB LYS 20 -10.257 -3.653 -1.956 134 HB3 LYS 20 1HB LYS 20 -8.775 -3.479 -2.878 135 HG2 LYS 20 2HG LYS 20 -9.552 -5.149 -4.469 136 HG3 LYS 20 1HG LYS 20 -11.029 -5.367 -3.526 137 HD2 LYS 20 2HD LYS 20 -11.570 -2.988 -3.881 138 HD3 LYS 20 1HD LYS 20 -10.134 -2.829 -4.889 139 HE2 LYS 20 2HE LYS 20 -12.474 -4.656 -5.423 140 HE3 LYS 20 1HE LYS 20 -12.162 -3.126 -6.235 141 HZ1 LYS 20 1HZ LYS 20 -10.089 -4.080 -7.101 142 HZ2 LYS 20 2HZ LYS 20 -11.443 -4.963 -7.566 143 HZ3 LYS 20 3HZ LYS 20 -10.457 -5.562 -6.360 144 H LEU 21 H LEU 21 -6.523 -4.528 -1.784 145 HA LEU 21 HA LEU 21 -5.572 -6.320 -3.827 146 HB2 LEU 21 2HB LEU 21 -4.092 -4.373 -2.058 147 HB3 LEU 21 1HB LEU 21 -3.403 -5.229 -3.422 148 HG LEU 21 HG LEU 21 -5.595 -3.164 -3.566 149 HD11 LEU 21 1HD1 LEU 21 -3.894 -1.766 -4.639 150 HD12 LEU 21 2HD1 LEU 21 -2.678 -2.999 -4.292 151 HD13 LEU 21 3HD1 LEU 21 -3.486 -2.163 -2.971 152 HD21 LEU 21 1HD2 LEU 21 -5.815 -4.814 -5.341 153 HD22 LEU 21 2HD2 LEU 21 -4.112 -4.623 -5.755 154 HD23 LEU 21 3HD2 LEU 21 -5.235 -3.284 -5.997 155 H LYS 22 H LYS 22 -3.524 -7.523 -3.334 156 HA LYS 22 HA LYS 22 -3.515 -8.681 -0.641 157 HB2 LYS 22 2HB LYS 22 -3.159 -10.913 -1.682 158 HB3 LYS 22 1HB LYS 22 -4.731 -10.234 -2.070 159 HG2 LYS 22 2HG LYS 22 -3.925 -9.593 -4.278 160 HG3 LYS 22 1HG LYS 22 -2.323 -10.220 -3.883 161 HD2 LYS 22 2HD LYS 22 -3.283 -12.457 -3.590 162 HD3 LYS 22 1HD LYS 22 -4.876 -11.820 -3.999 163 HE2 LYS 22 2HE LYS 22 -4.084 -11.209 -6.214 164 HE3 LYS 22 1HE LYS 22 -2.465 -11.767 -5.802 165 HZ1 LYS 22 1HZ LYS 22 -3.320 -13.986 -5.546 166 HZ2 LYS 22 2HZ LYS 22 -3.676 -13.416 -7.085 167 HZ3 LYS 22 3HZ LYS 22 -4.883 -13.477 -5.910 Start of MODEL 20 1 H ASN 1 H ASN 1 -1.379 -6.803 -3.447 2 HA ASN 1 HA ASN 1 0.561 -8.385 -1.920 3 HB2 ASN 1 2HB ASN 1 1.082 -6.461 -4.198 4 HB3 ASN 1 1HB ASN 1 2.338 -7.221 -3.232 5 HD21 ASN 1 1HD2 ASN 1 1.879 -7.387 -6.096 6 HD22 ASN 1 2HD2 ASN 1 1.641 -9.045 -6.443 7 HA PRO 2 HA PRO 2 0.016 -4.898 0.964 8 HB2 PRO 2 2HB PRO 2 1.992 -6.680 2.326 9 HB3 PRO 2 1HB PRO 2 0.588 -5.842 3.003 10 HG2 PRO 2 2HG PRO 2 0.434 -8.426 2.526 11 HG3 PRO 2 1HG PRO 2 -0.923 -7.372 2.090 12 HD2 PRO 2 2HD PRO 2 1.153 -8.601 0.325 13 HD3 PRO 2 1HD PRO 2 -0.578 -8.362 0.033 14 H GLU 3 H GLU 3 3.039 -6.446 -0.058 15 HA GLU 3 HA GLU 3 4.797 -4.377 0.718 16 HB2 GLU 3 2HB GLU 3 5.472 -6.693 0.087 17 HB3 GLU 3 1HB GLU 3 5.122 -6.298 -1.591 18 HG2 GLU 3 2HG GLU 3 7.494 -6.143 -1.170 19 HG3 GLU 3 1HG GLU 3 6.830 -4.545 -1.516 20 H ASP 4 H ASP 4 3.077 -5.044 -2.254 21 HA ASP 4 HA ASP 4 4.104 -2.898 -3.791 22 HB2 ASP 4 2HB ASP 4 3.019 -4.726 -4.923 23 HB3 ASP 4 1HB ASP 4 1.543 -4.466 -4.001 24 H CYS 5 H CYS 5 1.282 -3.259 -1.735 25 HA CYS 5 HA CYS 5 0.227 -0.694 -2.205 26 HB2 CYS 5 2HB CYS 5 -1.038 -2.559 -1.112 27 HB3 CYS 5 1HB CYS 5 -0.058 -2.317 0.332 28 H ARG 6 H ARG 6 2.551 -1.905 0.183 29 HA ARG 6 HA ARG 6 2.920 0.467 1.670 30 HB2 ARG 6 2HB ARG 6 4.919 -1.695 1.015 31 HB3 ARG 6 1HB ARG 6 5.183 -0.434 2.196 32 HG2 ARG 6 2HG ARG 6 3.340 -1.335 3.536 33 HG3 ARG 6 1HG ARG 6 3.112 -2.612 2.333 34 HD2 ARG 6 2HD ARG 6 4.480 -3.463 4.145 35 HD3 ARG 6 1HD ARG 6 5.452 -3.318 2.684 36 HE ARG 6 HE ARG 6 5.480 -1.226 4.743 37 HH11 ARG 6 1HH1 ARG 6 7.351 -3.446 2.614 38 HH12 ARG 6 2HH1 ARG 6 8.830 -2.938 3.241 39 HH21 ARG 6 1HH2 ARG 6 7.508 -0.532 5.467 40 HH22 ARG 6 2HH2 ARG 6 8.951 -1.233 4.870 41 H GLN 7 H GLN 7 4.133 -0.625 -1.365 42 HA GLN 7 HA GLN 7 6.287 1.208 -1.582 43 HB2 GLN 7 2HB GLN 7 6.198 -1.054 -2.611 44 HB3 GLN 7 1HB GLN 7 4.946 -0.482 -3.692 45 HG2 GLN 7 2HG GLN 7 6.468 0.993 -4.780 46 HG3 GLN 7 1HG GLN 7 7.710 0.672 -3.567 47 HE21 GLN 7 1HE2 GLN 7 6.019 -0.604 -6.312 48 HE22 GLN 7 2HE2 GLN 7 7.119 -1.897 -6.614 49 H ASP 8 H ASP 8 2.929 1.475 -2.089 50 HA ASP 8 HA ASP 8 3.369 3.923 -3.642 51 HB2 ASP 8 2HB ASP 8 0.994 2.058 -3.655 52 HB3 ASP 8 1HB ASP 8 0.901 3.696 -4.284 53 HA PRO 9 HA PRO 9 1.810 6.277 -0.255 54 HB2 PRO 9 2HB PRO 9 0.460 8.260 -1.612 55 HB3 PRO 9 1HB PRO 9 2.208 8.233 -1.359 56 HG2 PRO 9 2HG PRO 9 0.631 7.441 -3.762 57 HG3 PRO 9 1HG PRO 9 2.177 8.297 -3.668 58 HD2 PRO 9 2HD PRO 9 2.022 5.679 -4.292 59 HD3 PRO 9 1HD PRO 9 3.380 6.351 -3.371 60 H GLU 10 H GLU 10 -0.224 4.813 -2.529 61 HA GLU 10 HA GLU 10 -2.788 5.517 -1.714 62 HB2 GLU 10 2HB GLU 10 -2.332 4.305 -3.787 63 HB3 GLU 10 1HB GLU 10 -1.816 2.900 -2.872 64 HG2 GLU 10 2HG GLU 10 -4.008 2.443 -2.145 65 HG3 GLU 10 1HG GLU 10 -4.598 4.019 -2.663 66 H ALA 11 H ALA 11 -0.499 3.390 -0.231 67 HA ALA 11 HA ALA 11 -2.191 1.938 1.477 68 HB1 ALA 11 1HB ALA 11 0.171 1.379 1.102 69 HB2 ALA 11 2HB ALA 11 -0.209 1.521 2.817 70 HB3 ALA 11 3HB ALA 11 0.643 2.827 1.991 71 H ASN 12 H ASN 12 -1.075 5.232 1.597 72 HA ASN 12 HA ASN 12 -1.959 5.527 4.377 73 HB2 ASN 12 2HB ASN 12 -0.568 7.560 2.607 74 HB3 ASN 12 1HB ASN 12 -0.967 7.774 4.304 75 HD21 ASN 12 1HD2 ASN 12 1.260 6.572 2.063 76 HD22 ASN 12 2HD2 ASN 12 2.387 5.885 3.169 77 H LYS 13 H LYS 13 -3.259 5.572 1.449 78 HA LYS 13 HA LYS 13 -4.989 7.854 1.994 79 HB2 LYS 13 2HB LYS 13 -3.908 7.960 -0.173 80 HB3 LYS 13 1HB LYS 13 -4.493 6.355 -0.578 81 HG2 LYS 13 2HG LYS 13 -5.780 8.089 -1.720 82 HG3 LYS 13 1HG LYS 13 -6.786 7.174 -0.599 83 HD2 LYS 13 2HD LYS 13 -6.558 8.982 1.055 84 HD3 LYS 13 1HD LYS 13 -5.586 9.902 -0.097 85 HE2 LYS 13 2HE LYS 13 -7.469 9.996 -1.633 86 HE3 LYS 13 1HE LYS 13 -8.426 8.996 -0.542 87 HZ1 LYS 13 1HZ LYS 13 -8.277 10.754 1.115 88 HZ2 LYS 13 2HZ LYS 13 -9.020 11.275 -0.285 89 HZ3 LYS 13 3HZ LYS 13 -7.424 11.734 0.031 90 H SER 14 H SER 14 -5.153 4.499 0.796 91 HA SER 14 HA SER 14 -7.815 4.418 1.971 92 HB2 SER 14 2HB SER 14 -8.427 2.977 -0.049 93 HB3 SER 14 1HB SER 14 -8.233 4.711 -0.313 94 HG SER 14 HG SER 14 -6.150 2.826 -0.738 95 HA PRO 15 HA PRO 15 -5.707 0.796 3.871 96 HB2 PRO 15 2HB PRO 15 -8.124 0.962 5.575 97 HB3 PRO 15 1HB PRO 15 -6.425 0.887 6.052 98 HG2 PRO 15 2HG PRO 15 -7.826 3.147 6.282 99 HG3 PRO 15 1HG PRO 15 -6.119 3.161 5.809 100 HD2 PRO 15 2HD PRO 15 -8.559 3.500 4.126 101 HD3 PRO 15 1HD PRO 15 -7.000 4.346 4.031 102 H GLU 16 H GLU 16 -9.159 1.251 3.208 103 HA GLU 16 HA GLU 16 -10.019 -1.430 3.245 104 HB2 GLU 16 2HB GLU 16 -11.529 0.522 3.239 105 HB3 GLU 16 1HB GLU 16 -11.000 0.901 1.612 106 HG2 GLU 16 2HG GLU 16 -11.947 -1.205 0.823 107 HG3 GLU 16 1HG GLU 16 -12.569 -1.515 2.447 108 H GLU 17 H GLU 17 -8.836 0.624 0.705 109 HA GLU 17 HA GLU 17 -9.125 -1.436 -1.254 110 HB2 GLU 17 2HB GLU 17 -8.070 1.383 -1.481 111 HB3 GLU 17 1HB GLU 17 -8.398 0.302 -2.840 112 HG2 GLU 17 2HG GLU 17 -10.714 0.145 -2.243 113 HG3 GLU 17 1HG GLU 17 -10.448 1.110 -0.804 114 H CYS 18 H CYS 18 -6.682 -0.319 0.834 115 HA CYS 18 HA CYS 18 -4.491 -1.448 -0.573 116 HB2 CYS 18 2HB CYS 18 -4.246 0.244 1.279 117 HB3 CYS 18 1HB CYS 18 -4.771 -0.989 2.419 118 H LYS 19 H LYS 19 -6.861 -2.578 1.776 119 HA LYS 19 HA LYS 19 -5.803 -5.198 2.080 120 HB2 LYS 19 2HB LYS 19 -8.629 -4.189 2.455 121 HB3 LYS 19 1HB LYS 19 -8.063 -5.775 2.948 122 HG2 LYS 19 2HG LYS 19 -6.464 -4.689 4.481 123 HG3 LYS 19 1HG LYS 19 -7.131 -3.123 4.015 124 HD2 LYS 19 2HD LYS 19 -9.327 -3.809 4.842 125 HD3 LYS 19 1HD LYS 19 -8.666 -5.381 5.292 126 HE2 LYS 19 2HE LYS 19 -7.101 -4.241 6.833 127 HE3 LYS 19 1HE LYS 19 -7.854 -2.702 6.415 128 HZ1 LYS 19 1HZ LYS 19 -9.949 -3.566 7.284 129 HZ2 LYS 19 2HZ LYS 19 -8.762 -3.583 8.471 130 HZ3 LYS 19 3HZ LYS 19 -9.201 -5.005 7.698 131 H LYS 20 H LYS 20 -7.942 -3.670 -0.141 132 HA LYS 20 HA LYS 20 -8.913 -5.895 -1.563 133 HB2 LYS 20 2HB LYS 20 -9.873 -3.673 -1.828 134 HB3 LYS 20 1HB LYS 20 -8.350 -3.062 -2.445 135 HG2 LYS 20 2HG LYS 20 -8.590 -4.383 -4.445 136 HG3 LYS 20 1HG LYS 20 -10.075 -5.106 -3.830 137 HD2 LYS 20 2HD LYS 20 -11.109 -2.870 -3.757 138 HD3 LYS 20 1HD LYS 20 -9.622 -2.175 -4.407 139 HE2 LYS 20 2HE LYS 20 -9.875 -3.491 -6.430 140 HE3 LYS 20 1HE LYS 20 -11.329 -4.244 -5.774 141 HZ1 LYS 20 1HZ LYS 20 -12.372 -2.047 -5.742 142 HZ2 LYS 20 2HZ LYS 20 -11.905 -2.479 -7.291 143 HZ3 LYS 20 3HZ LYS 20 -10.994 -1.361 -6.412 144 H LEU 21 H LEU 21 -6.037 -3.878 -1.987 145 HA LEU 21 HA LEU 21 -4.932 -5.200 -4.189 146 HB2 LEU 21 2HB LEU 21 -3.529 -3.844 -1.891 147 HB3 LEU 21 1HB LEU 21 -2.754 -4.315 -3.389 148 HG LEU 21 HG LEU 21 -4.943 -2.265 -3.105 149 HD11 LEU 21 1HD1 LEU 21 -2.010 -1.951 -3.690 150 HD12 LEU 21 2HD1 LEU 21 -2.819 -1.530 -2.182 151 HD13 LEU 21 3HD1 LEU 21 -3.208 -0.656 -3.663 152 HD21 LEU 21 1HD2 LEU 21 -5.088 -3.384 -5.255 153 HD22 LEU 21 2HD2 LEU 21 -3.362 -3.150 -5.516 154 HD23 LEU 21 3HD2 LEU 21 -4.441 -1.757 -5.471 155 H LYS 22 H LYS 22 -3.565 -6.899 -4.393 156 HA LYS 22 HA LYS 22 -3.889 -8.919 -2.353 157 HB2 LYS 22 2HB LYS 22 -4.282 -9.349 -4.758 158 HB3 LYS 22 1HB LYS 22 -2.567 -9.123 -5.053 159 HG2 LYS 22 2HG LYS 22 -2.053 -11.048 -3.659 160 HG3 LYS 22 1HG LYS 22 -3.763 -11.252 -3.287 161 HD2 LYS 22 2HD LYS 22 -2.493 -11.481 -6.018 162 HD3 LYS 22 1HD LYS 22 -3.053 -12.821 -5.022 163 HE2 LYS 22 2HE LYS 22 -4.737 -10.652 -6.288 164 HE3 LYS 22 1HE LYS 22 -4.697 -12.352 -6.717 165 HZ1 LYS 22 1HZ LYS 22 -5.703 -11.277 -4.114 166 HZ2 LYS 22 2HZ LYS 22 -5.647 -12.898 -4.547 167 HZ3 LYS 22 3HZ LYS 22 -6.630 -11.845 -5.394
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