NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
550609 | 2lq0 | 18284 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLN 1 H GLN 1 1.807 0.000 0.855 2 HA GLN 1 HA GLN 1 3.110 0.275 -1.006 3 HB2 GLN 1 2HB GLN 1 1.112 -1.580 -2.296 4 HB3 GLN 1 3HB GLN 1 2.826 -1.425 -2.657 5 HG2 GLN 1 2HG GLN 1 1.676 -2.468 -0.078 6 HG3 GLN 1 3HG GLN 1 2.314 -3.456 -1.392 7 HE21 GLN 1 1HE2 GLN 1 4.564 -2.139 -2.104 8 HE22 GLN 1 2HE2 GLN 1 5.691 -2.119 -0.795 9 H ARG 2 H ARG 2 3.355 1.752 -2.567 10 HA ARG 2 HA ARG 2 1.089 3.310 -3.387 11 HB2 ARG 2 2HB ARG 2 3.876 3.541 -4.505 12 HB3 ARG 2 3HB ARG 2 2.648 4.793 -4.371 13 HG2 ARG 2 2HG ARG 2 3.119 5.221 -2.197 14 HG3 ARG 2 3HG ARG 2 3.578 3.552 -1.853 15 HD2 ARG 2 2HD ARG 2 5.626 4.571 -1.753 16 HD3 ARG 2 3HD ARG 2 5.582 4.114 -3.455 17 HE ARG 2 HE ARG 2 4.497 6.666 -3.250 18 HH11 ARG 2 1HH1 ARG 2 7.548 5.078 -2.713 19 HH12 ARG 2 2HH1 ARG 2 8.492 6.486 -3.070 20 HH21 ARG 2 1HH2 ARG 2 5.728 8.527 -3.722 21 HH22 ARG 2 2HH2 ARG 2 7.456 8.448 -3.643 22 H SER 3 H SER 3 3.322 1.061 -4.957 23 HA SER 3 HA SER 3 2.448 1.386 -7.591 24 HB2 SER 3 2HB SER 3 4.486 0.102 -6.792 25 HB3 SER 3 3HB SER 3 3.394 -1.228 -6.406 26 HG SER 3 HG SER 3 4.504 -0.953 -8.645 27 H ASN 4 H ASN 4 1.239 -0.682 -4.998 28 HA ASN 4 HA ASN 4 -0.742 -1.922 -6.688 29 HB2 ASN 4 2HB ASN 4 -0.357 -2.007 -3.687 30 HB3 ASN 4 3HB ASN 4 -1.510 -2.991 -4.585 31 HD21 ASN 4 1HD2 ASN 4 -0.395 -4.134 -6.531 32 HD22 ASN 4 2HD2 ASN 4 1.064 -4.970 -6.133 33 H PHE 5 H PHE 5 -0.506 0.923 -4.811 34 HA PHE 5 HA PHE 5 -3.215 1.268 -4.090 35 HB2 PHE 5 2HB PHE 5 -1.282 2.548 -3.136 36 HB3 PHE 5 3HB PHE 5 -1.190 3.441 -4.650 37 HD1 PHE 5 HD1 PHE 5 -4.123 2.385 -2.615 38 HD2 PHE 5 HD2 PHE 5 -1.834 5.607 -4.196 39 HE1 PHE 5 HE1 PHE 5 -5.793 3.983 -1.768 40 HE2 PHE 5 HE2 PHE 5 -3.499 7.209 -3.351 41 HZ PHE 5 HZ PHE 5 -5.481 6.398 -2.135 42 H HIS 6 H HIS 6 -1.368 2.150 -6.960 43 HA HIS 6 HA HIS 6 -3.243 3.784 -8.219 44 HB2 HIS 6 2HB HIS 6 -0.919 2.166 -9.086 45 HB3 HIS 6 3HB HIS 6 -2.075 2.593 -10.344 46 HD1 HIS 6 HD1 HIS 6 0.885 3.818 -8.804 47 HD2 HIS 6 HD2 HIS 6 -2.595 5.574 -10.243 48 HE1 HIS 6 HE1 HIS 6 1.455 6.240 -9.168 49 HA PRO 7 HA PRO 7 -4.983 -0.168 -10.397 50 HB2 PRO 7 2HB PRO 7 -4.235 -2.571 -9.378 51 HB3 PRO 7 3HB PRO 7 -3.335 -1.748 -10.658 52 HG2 PRO 7 2HG PRO 7 -2.783 -1.847 -7.718 53 HG3 PRO 7 3HG PRO 7 -1.651 -1.998 -9.074 54 HD2 PRO 7 2HD PRO 7 -1.954 0.302 -7.677 55 HD3 PRO 7 3HD PRO 7 -1.550 0.281 -9.406 56 H LEU 8 H LEU 8 -4.494 -0.074 -6.944 57 HA LEU 8 HA LEU 8 -6.892 -1.560 -6.335 58 HB2 LEU 8 2HB LEU 8 -5.079 -1.742 -4.799 59 HB3 LEU 8 3HB LEU 8 -4.958 0.010 -4.646 60 HG LEU 8 HG LEU 8 -7.498 -1.287 -3.806 61 HD11 LEU 8 1HD1 LEU 8 -5.871 -1.210 -1.528 62 HD12 LEU 8 2HD1 LEU 8 -4.940 -2.059 -2.761 63 HD13 LEU 8 3HD1 LEU 8 -6.549 -2.632 -2.322 64 HD21 LEU 8 3HD2 LEU 8 -6.966 0.486 -1.928 65 HD22 LEU 8 1HD2 LEU 8 -7.634 0.971 -3.487 66 HD23 LEU 8 2HD2 LEU 8 -5.906 1.146 -3.175 67 H ALA 9 H ALA 9 -6.021 1.728 -6.905 68 HA ALA 9 HA ALA 9 -8.023 3.074 -5.491 69 HB1 ALA 9 1HB ALA 9 -6.214 4.311 -6.431 70 HB2 ALA 9 2HB ALA 9 -6.626 3.783 -8.063 71 HB3 ALA 9 3HB ALA 9 -7.701 4.878 -7.194 72 H ALA 10 H ALA 10 -8.048 1.646 -8.730 73 HA ALA 10 HA ALA 10 -10.582 2.576 -9.520 74 HB1 ALA 10 1HB ALA 10 -9.138 1.733 -11.194 75 HB2 ALA 10 2HB ALA 10 -8.970 0.182 -10.370 76 HB3 ALA 10 3HB ALA 10 -10.506 0.622 -11.115 77 H SER 11 H SER 11 -9.583 -0.413 -7.891 78 HA SER 11 HA SER 11 -12.123 -1.629 -7.840 79 HB2 SER 11 2HB SER 11 -9.736 -1.973 -6.012 80 HB3 SER 11 3HB SER 11 -11.160 -3.013 -5.985 81 HG SER 11 HG SER 11 -9.503 -3.891 -7.285 82 H PHE 12 H PHE 12 -10.441 0.409 -5.472 83 HA PHE 12 HA PHE 12 -12.539 0.319 -3.548 84 HB2 PHE 12 2HB PHE 12 -10.070 1.982 -3.908 85 HB3 PHE 12 3HB PHE 12 -11.266 2.443 -2.701 86 HD1 PHE 12 HD2 PHE 12 -9.802 -0.812 -3.799 87 HD2 PHE 12 HD1 PHE 12 -10.588 1.874 -0.592 88 HE1 PHE 12 HE2 PHE 12 -8.819 -2.419 -2.217 89 HE2 PHE 12 HE1 PHE 12 -9.605 0.271 0.995 90 HZ PHE 12 HZ PHE 12 -8.720 -1.879 0.184 91 H ILE 13 H ILE 13 -11.882 2.266 -6.341 92 HA ILE 13 HA ILE 13 -13.655 4.408 -5.644 93 HB ILE 13 HB ILE 13 -12.167 3.638 -8.122 94 HG12 ILE 13 2HG1 ILE 13 -11.068 4.954 -6.336 95 HG13 ILE 13 3HG1 ILE 13 -11.188 5.852 -7.846 96 HG21 ILE 13 1HG2 ILE 13 -14.447 5.589 -7.951 97 HG22 ILE 13 2HG2 ILE 13 -13.203 5.689 -9.195 98 HG23 ILE 13 3HG2 ILE 13 -14.227 4.258 -9.086 99 HD11 ILE 13 3HD1 ILE 13 -11.934 6.734 -5.349 100 HD12 ILE 13 1HD1 ILE 13 -12.379 7.461 -6.893 101 HD13 ILE 13 2HD1 ILE 13 -13.464 6.309 -6.114 102 H VAL 14 H VAL 14 -13.865 1.507 -7.653 103 HA VAL 14 HA VAL 14 -16.472 2.061 -8.658 104 HB VAL 14 HB VAL 14 -15.015 -0.579 -8.462 105 HG11 VAL 14 1HG1 VAL 14 -16.634 -0.949 -10.521 106 HG12 VAL 14 2HG1 VAL 14 -17.149 -1.284 -8.867 107 HG13 VAL 14 3HG1 VAL 14 -17.617 0.226 -9.649 108 HG21 VAL 14 3HG2 VAL 14 -15.266 0.626 -11.091 109 HG22 VAL 14 1HG2 VAL 14 -14.365 1.646 -9.969 110 HG23 VAL 14 2HG2 VAL 14 -13.839 -0.010 -10.271 111 H ARG 15 H ARG 15 -15.277 0.782 -5.701 112 HA ARG 15 HA ARG 15 -17.696 -0.622 -4.997 113 HB2 ARG 15 2HB ARG 15 -16.408 -1.564 -3.432 114 HB3 ARG 15 3HB ARG 15 -15.057 -0.659 -4.102 115 HG2 ARG 15 2HG ARG 15 -15.490 1.161 -2.538 116 HG3 ARG 15 3HG ARG 15 -16.859 0.268 -1.874 117 HD2 ARG 15 2HD ARG 15 -14.038 -0.787 -1.909 118 HD3 ARG 15 3HD ARG 15 -14.725 0.111 -0.555 119 HE ARG 15 HE ARG 15 -16.289 -2.165 -1.361 120 HH11 ARG 15 1HH1 ARG 15 -13.655 -1.047 0.621 121 HH12 ARG 15 2HH1 ARG 15 -13.780 -2.353 1.753 122 HH21 ARG 15 1HH2 ARG 15 -16.464 -3.890 0.121 123 HH22 ARG 15 2HH2 ARG 15 -15.378 -3.970 1.467 124 H CYS 16 H CYS 16 -16.187 2.477 -4.245 125 HA CYS 16 HA CYS 16 -18.315 3.212 -2.422 126 HB2 CYS 16 2HB CYS 16 -15.976 4.818 -3.475 127 HB3 CYS 16 3HB CYS 16 -17.081 5.342 -2.211 128 HG CYS 16 HG CYS 16 -14.460 3.274 -2.031 129 H ALA 17 H ALA 17 -17.310 3.900 -5.713 130 HA ALA 17 HA ALA 17 -18.996 6.092 -6.215 131 HB1 ALA 17 1HB ALA 17 -18.618 5.647 -8.560 132 HB2 ALA 17 2HB ALA 17 -17.114 5.429 -7.664 133 HB3 ALA 17 3HB ALA 17 -18.039 4.022 -8.188 134 H PHE 18 H PHE 18 -19.527 2.612 -6.441 135 HA PHE 18 HA PHE 18 -22.104 2.831 -7.654 136 HB2 PHE 18 2HB PHE 18 -20.468 0.811 -7.632 137 HB3 PHE 18 3HB PHE 18 -21.199 0.442 -6.073 138 HD1 PHE 18 HD2 PHE 18 -22.123 1.167 -9.606 139 HD2 PHE 18 HD1 PHE 18 -23.098 -0.862 -5.994 140 HE1 PHE 18 HE2 PHE 18 -23.977 0.027 -10.752 141 HE2 PHE 18 HE1 PHE 18 -24.954 -2.007 -7.134 142 HZ PHE 18 HZ PHE 18 -25.396 -1.562 -9.516 143 H GLU 19 H GLU 19 -20.916 2.489 -4.354 144 HA GLU 19 HA GLU 19 -23.546 2.213 -3.224 145 HB2 GLU 19 2HB GLU 19 -21.855 1.163 -1.976 146 HB3 GLU 19 3HB GLU 19 -20.791 2.558 -2.076 147 HG2 GLU 19 2HG GLU 19 -21.756 3.598 -0.324 148 HG3 GLU 19 3HG GLU 19 -23.364 2.981 -0.701 149 H HIS 20 H HIS 20 -21.385 4.818 -3.981 150 HA HIS 20 HA HIS 20 -22.553 6.774 -2.275 151 HB2 HIS 20 2HB HIS 20 -20.273 6.976 -3.234 152 HB3 HIS 20 3HB HIS 20 -20.986 7.186 -4.831 153 HD1 HIS 20 HD1 HIS 20 -22.734 9.349 -4.910 154 HD2 HIS 20 HD2 HIS 20 -19.787 9.319 -1.983 155 HE1 HIS 20 HE1 HIS 20 -22.515 11.736 -4.152 156 H SER 21 H SER 21 -23.153 5.709 -5.571 157 HA SER 21 HA SER 21 -25.082 7.806 -6.067 158 HB2 SER 21 2HB SER 21 -24.481 5.342 -7.719 159 HB3 SER 21 3HB SER 21 -25.368 6.771 -8.248 160 HG SER 21 HG SER 21 -22.786 7.124 -7.241 161 H ARG 22 H ARG 22 -25.079 4.411 -5.184 162 HA ARG 22 HA ARG 22 -27.748 3.778 -5.651 163 HB2 ARG 22 2HB ARG 22 -25.710 2.340 -4.793 164 HB3 ARG 22 3HB ARG 22 -26.380 2.724 -3.212 165 HG2 ARG 22 2HG ARG 22 -28.551 1.785 -3.965 166 HG3 ARG 22 3HG ARG 22 -27.764 1.287 -5.464 167 HD2 ARG 22 2HD ARG 22 -27.866 -0.563 -3.886 168 HD3 ARG 22 3HD ARG 22 -26.195 -0.085 -4.183 169 HE ARG 22 HE ARG 22 -26.011 0.515 -1.980 170 HH11 ARG 22 1HH1 ARG 22 -29.377 0.142 -2.788 171 HH12 ARG 22 2HH1 ARG 22 -29.922 0.293 -1.150 172 HH21 ARG 22 1HH2 ARG 22 -26.716 0.716 0.180 173 HH22 ARG 22 2HH2 ARG 22 -28.407 0.620 0.537 174 H ARG 23 H ARG 23 -26.237 5.306 -2.840 175 HA ARG 23 HA ARG 23 -28.447 5.341 -1.139 176 HB2 ARG 23 2HB ARG 23 -26.479 5.951 -0.088 177 HB3 ARG 23 3HB ARG 23 -25.984 7.011 -1.401 178 HG2 ARG 23 2HG ARG 23 -27.195 8.780 -0.619 179 HG3 ARG 23 3HG ARG 23 -28.394 7.751 0.169 180 HD2 ARG 23 2HD ARG 23 -27.324 8.360 2.051 181 HD3 ARG 23 3HD ARG 23 -26.176 7.109 1.577 182 HE ARG 23 HE ARG 23 -25.318 9.401 0.329 183 HH11 ARG 23 1HH1 ARG 23 -25.914 8.399 3.610 184 HH12 ARG 23 2HH1 ARG 23 -24.706 9.441 4.286 185 HH21 ARG 23 1HH2 ARG 23 -23.724 10.777 1.207 186 HH22 ARG 23 2HH2 ARG 23 -23.461 10.794 2.918 187 H PHE 24 H PHE 24 -27.679 7.299 -3.907 188 HA PHE 24 HA PHE 24 -29.653 9.318 -3.311 189 HB2 PHE 24 2HB PHE 24 -27.506 9.722 -4.605 190 HB3 PHE 24 3HB PHE 24 -28.256 8.864 -5.947 191 HD1 PHE 24 HD1 PHE 24 -30.500 9.768 -6.803 192 HD2 PHE 24 HD2 PHE 24 -27.845 11.997 -4.334 193 HE1 PHE 24 HE1 PHE 24 -31.574 11.855 -7.539 194 HE2 PHE 24 HE2 PHE 24 -28.916 14.088 -5.065 195 HZ PHE 24 HZ PHE 24 -30.783 14.019 -6.669 196 H THR 25 H THR 25 -29.355 6.526 -5.447 197 HA THR 25 HA THR 25 -31.992 6.966 -6.577 198 HB THR 25 HB THR 25 -29.990 6.019 -7.866 199 HG1 THR 25 HG1 THR 25 -32.632 5.102 -7.855 200 HG21 THR 25 3HG2 THR 25 -29.659 4.281 -5.928 201 HG22 THR 25 1HG2 THR 25 -29.341 3.821 -7.600 202 HG23 THR 25 2HG2 THR 25 -30.858 3.355 -6.831 Start of MODEL 2 1 H1 GLN 1 H GLN 1 2.014 0.160 0.869 2 HA GLN 1 HA GLN 1 3.142 0.172 -1.121 3 HB2 GLN 1 2HB GLN 1 0.822 -1.595 -1.916 4 HB3 GLN 1 3HB GLN 1 2.393 -1.534 -2.705 5 HG2 GLN 1 2HG GLN 1 1.935 -2.367 0.151 6 HG3 GLN 1 3HG GLN 1 2.120 -3.473 -1.210 7 HE21 GLN 1 1HE2 GLN 1 4.154 -2.908 -2.567 8 HE22 GLN 1 2HE2 GLN 1 5.601 -2.687 -1.650 9 H ARG 2 H ARG 2 3.359 1.718 -2.588 10 HA ARG 2 HA ARG 2 1.103 3.279 -3.430 11 HB2 ARG 2 2HB ARG 2 3.891 3.474 -4.552 12 HB3 ARG 2 3HB ARG 2 2.672 4.736 -4.436 13 HG2 ARG 2 2HG ARG 2 3.148 5.193 -2.269 14 HG3 ARG 2 3HG ARG 2 3.594 3.526 -1.901 15 HD2 ARG 2 2HD ARG 2 5.651 4.526 -1.817 16 HD3 ARG 2 3HD ARG 2 5.600 4.052 -3.515 17 HE ARG 2 HE ARG 2 4.554 6.667 -3.143 18 HH11 ARG 2 1HH1 ARG 2 7.529 4.866 -3.304 19 HH12 ARG 2 2HH1 ARG 2 8.469 6.217 -3.845 20 HH21 ARG 2 1HH2 ARG 2 5.781 8.453 -3.855 21 HH22 ARG 2 2HH2 ARG 2 7.474 8.257 -4.157 22 H SER 3 H SER 3 3.319 0.991 -4.969 23 HA SER 3 HA SER 3 2.444 1.286 -7.606 24 HB2 SER 3 2HB SER 3 3.487 -1.217 -6.258 25 HB3 SER 3 3HB SER 3 3.416 -0.938 -7.997 26 HG SER 3 HG SER 3 4.703 1.092 -7.225 27 H ASN 4 H ASN 4 1.224 -0.738 -4.983 28 HA ASN 4 HA ASN 4 -0.767 -1.988 -6.653 29 HB2 ASN 4 2HB ASN 4 -0.380 -2.033 -3.652 30 HB3 ASN 4 3HB ASN 4 -1.540 -3.022 -4.535 31 HD21 ASN 4 1HD2 ASN 4 -0.898 -4.924 -5.289 32 HD22 ASN 4 2HD2 ASN 4 0.736 -5.482 -5.336 33 H PHE 5 H PHE 5 -0.510 0.882 -4.818 34 HA PHE 5 HA PHE 5 -3.216 1.255 -4.099 35 HB2 PHE 5 2HB PHE 5 -1.273 2.535 -3.165 36 HB3 PHE 5 3HB PHE 5 -1.176 3.406 -4.692 37 HD1 PHE 5 HD2 PHE 5 -4.042 2.415 -2.520 38 HD2 PHE 5 HD1 PHE 5 -1.878 5.568 -4.389 39 HE1 PHE 5 HE2 PHE 5 -5.699 4.037 -1.695 40 HE2 PHE 5 HE1 PHE 5 -3.530 7.195 -3.566 41 HZ PHE 5 HZ PHE 5 -5.444 6.430 -2.218 42 H HIS 6 H HIS 6 -1.366 2.083 -6.984 43 HA HIS 6 HA HIS 6 -3.231 3.712 -8.264 44 HB2 HIS 6 2HB HIS 6 -0.919 2.066 -9.109 45 HB3 HIS 6 3HB HIS 6 -2.074 2.482 -10.373 46 HD1 HIS 6 HD1 HIS 6 0.963 3.649 -9.152 47 HD2 HIS 6 HD2 HIS 6 -2.640 5.529 -10.015 48 HE1 HIS 6 HE1 HIS 6 1.532 6.078 -9.476 49 HA PRO 7 HA PRO 7 -5.000 -0.259 -10.383 50 HB2 PRO 7 2HB PRO 7 -4.268 -2.652 -9.331 51 HB3 PRO 7 3HB PRO 7 -3.364 -1.854 -10.623 52 HG2 PRO 7 2HG PRO 7 -2.809 -1.915 -7.682 53 HG3 PRO 7 3HG PRO 7 -1.679 -2.092 -9.037 54 HD2 PRO 7 2HD PRO 7 -1.965 0.229 -7.673 55 HD3 PRO 7 3HD PRO 7 -1.563 0.181 -9.402 56 H LEU 8 H LEU 8 -4.507 -0.119 -6.932 57 HA LEU 8 HA LEU 8 -6.914 -1.580 -6.299 58 HB2 LEU 8 2HB LEU 8 -5.100 -1.752 -4.763 59 HB3 LEU 8 3HB LEU 8 -4.967 0.001 -4.635 60 HG LEU 8 HG LEU 8 -7.515 -1.267 -3.774 61 HD11 LEU 8 1HD1 LEU 8 -4.969 -2.055 -2.728 62 HD12 LEU 8 2HD1 LEU 8 -6.583 -2.586 -2.258 63 HD13 LEU 8 3HD1 LEU 8 -5.870 -1.162 -1.503 64 HD21 LEU 8 3HD2 LEU 8 -6.969 0.530 -1.922 65 HD22 LEU 8 1HD2 LEU 8 -7.636 0.997 -3.486 66 HD23 LEU 8 2HD2 LEU 8 -5.907 1.164 -3.180 67 H ALA 9 H ALA 9 -6.021 1.694 -6.918 68 HA ALA 9 HA ALA 9 -8.013 3.074 -5.521 69 HB1 ALA 9 1HB ALA 9 -6.614 3.735 -8.105 70 HB2 ALA 9 2HB ALA 9 -7.680 4.850 -7.250 71 HB3 ALA 9 3HB ALA 9 -6.197 4.285 -6.482 72 H ALA 10 H ALA 10 -8.051 1.599 -8.739 73 HA ALA 10 HA ALA 10 -10.579 2.535 -9.539 74 HB1 ALA 10 1HB ALA 10 -10.520 0.556 -11.105 75 HB2 ALA 10 2HB ALA 10 -9.145 1.657 -11.204 76 HB3 ALA 10 3HB ALA 10 -8.984 0.119 -10.356 77 H SER 11 H SER 11 -9.600 -0.437 -7.869 78 HA SER 11 HA SER 11 -12.147 -1.634 -7.797 79 HB2 SER 11 2HB SER 11 -9.762 -1.969 -5.966 80 HB3 SER 11 3HB SER 11 -11.192 -2.999 -5.925 81 HG SER 11 HG SER 11 -10.675 -3.825 -7.866 82 H PHE 12 H PHE 12 -10.449 0.425 -5.461 83 HA PHE 12 HA PHE 12 -12.544 0.377 -3.534 84 HB2 PHE 12 2HB PHE 12 -10.064 2.018 -3.920 85 HB3 PHE 12 3HB PHE 12 -11.256 2.505 -2.719 86 HD1 PHE 12 HD2 PHE 12 -9.816 -0.776 -3.772 87 HD2 PHE 12 HD1 PHE 12 -10.579 1.962 -0.603 88 HE1 PHE 12 HE2 PHE 12 -8.843 -2.367 -2.168 89 HE2 PHE 12 HE1 PHE 12 -9.605 0.375 1.007 90 HZ PHE 12 HZ PHE 12 -8.737 -1.793 0.225 91 H ILE 13 H ILE 13 -11.878 2.279 -6.355 92 HA ILE 13 HA ILE 13 -13.635 4.444 -5.687 93 HB ILE 13 HB ILE 13 -12.156 3.628 -8.155 94 HG12 ILE 13 2HG1 ILE 13 -11.046 4.962 -6.390 95 HG13 ILE 13 3HG1 ILE 13 -11.161 5.838 -7.912 96 HG21 ILE 13 1HG2 ILE 13 -14.422 5.596 -8.010 97 HG22 ILE 13 2HG2 ILE 13 -13.179 5.670 -9.257 98 HG23 ILE 13 3HG2 ILE 13 -14.213 4.247 -9.126 99 HD11 ILE 13 3HD1 ILE 13 -12.344 7.469 -6.985 100 HD12 ILE 13 1HD1 ILE 13 -13.433 6.336 -6.185 101 HD13 ILE 13 2HD1 ILE 13 -11.897 6.766 -5.431 102 H VAL 14 H VAL 14 -13.869 1.516 -7.654 103 HA VAL 14 HA VAL 14 -16.472 2.074 -8.663 104 HB VAL 14 HB VAL 14 -15.034 -0.574 -8.430 105 HG11 VAL 14 1HG1 VAL 14 -16.621 -1.096 -10.398 106 HG12 VAL 14 2HG1 VAL 14 -17.263 -1.151 -8.755 107 HG13 VAL 14 3HG1 VAL 14 -17.578 0.250 -9.780 108 HG21 VAL 14 3HG2 VAL 14 -13.820 0.007 -10.202 109 HG22 VAL 14 1HG2 VAL 14 -15.256 0.524 -11.085 110 HG23 VAL 14 2HG2 VAL 14 -14.431 1.650 -10.008 111 H ARG 15 H ARG 15 -15.283 0.829 -5.690 112 HA ARG 15 HA ARG 15 -17.711 -0.547 -4.962 113 HB2 ARG 15 2HB ARG 15 -16.427 -1.476 -3.385 114 HB3 ARG 15 3HB ARG 15 -15.071 -0.590 -4.070 115 HG2 ARG 15 2HG ARG 15 -15.488 1.256 -2.533 116 HG3 ARG 15 3HG ARG 15 -16.863 0.382 -1.854 117 HD2 ARG 15 2HD ARG 15 -14.110 -0.811 -1.905 118 HD3 ARG 15 3HD ARG 15 -14.622 0.268 -0.608 119 HE ARG 15 HE ARG 15 -16.467 -1.870 -1.053 120 HH11 ARG 15 1HH1 ARG 15 -13.476 -0.997 0.500 121 HH12 ARG 15 2HH1 ARG 15 -13.604 -2.217 1.724 122 HH21 ARG 15 1HH2 ARG 15 -16.647 -3.480 0.553 123 HH22 ARG 15 2HH2 ARG 15 -15.408 -3.630 1.753 124 H CYS 16 H CYS 16 -16.179 2.551 -4.257 125 HA CYS 16 HA CYS 16 -18.299 3.328 -2.442 126 HB2 CYS 16 2HB CYS 16 -15.950 4.902 -3.522 127 HB3 CYS 16 3HB CYS 16 -17.050 5.452 -2.263 128 HG CYS 16 HG CYS 16 -14.399 4.496 -1.402 129 H ALA 17 H ALA 17 -17.293 3.961 -5.744 130 HA ALA 17 HA ALA 17 -18.965 6.157 -6.276 131 HB1 ALA 17 1HB ALA 17 -18.593 5.675 -8.615 132 HB2 ALA 17 2HB ALA 17 -17.090 5.460 -7.717 133 HB3 ALA 17 3HB ALA 17 -18.026 4.052 -8.220 134 H PHE 18 H PHE 18 -19.520 2.679 -6.451 135 HA PHE 18 HA PHE 18 -22.098 2.897 -7.663 136 HB2 PHE 18 2HB PHE 18 -20.476 0.867 -7.614 137 HB3 PHE 18 3HB PHE 18 -21.207 0.525 -6.049 138 HD1 PHE 18 HD1 PHE 18 -23.852 0.548 -6.063 139 HD2 PHE 18 HD2 PHE 18 -21.394 -0.106 -9.476 140 HE1 PHE 18 HE1 PHE 18 -25.719 -0.598 -7.184 141 HE2 PHE 18 HE2 PHE 18 -23.257 -1.251 -10.602 142 HZ PHE 18 HZ PHE 18 -25.423 -1.498 -9.457 143 H GLU 19 H GLU 19 -20.908 2.596 -4.360 144 HA GLU 19 HA GLU 19 -23.538 2.354 -3.223 145 HB2 GLU 19 2HB GLU 19 -21.853 1.311 -1.962 146 HB3 GLU 19 3HB GLU 19 -20.779 2.697 -2.084 147 HG2 GLU 19 2HG GLU 19 -21.734 3.769 -0.346 148 HG3 GLU 19 3HG GLU 19 -23.347 3.159 -0.712 149 H HIS 20 H HIS 20 -21.360 4.933 -4.021 150 HA HIS 20 HA HIS 20 -22.512 6.921 -2.342 151 HB2 HIS 20 2HB HIS 20 -20.231 7.093 -3.308 152 HB3 HIS 20 3HB HIS 20 -20.946 7.287 -4.906 153 HD1 HIS 20 HD1 HIS 20 -21.546 9.610 -5.593 154 HD2 HIS 20 HD2 HIS 20 -20.864 9.298 -1.507 155 HE1 HIS 20 HE1 HIS 20 -21.596 11.969 -4.721 156 H SER 21 H SER 21 -23.124 5.813 -5.621 157 HA SER 21 HA SER 21 -25.038 7.916 -6.146 158 HB2 SER 21 2HB SER 21 -24.456 5.424 -7.762 159 HB3 SER 21 3HB SER 21 -25.334 6.852 -8.311 160 HG SER 21 HG SER 21 -22.826 6.465 -8.612 161 H ARG 22 H ARG 22 -25.058 4.535 -5.214 162 HA ARG 22 HA ARG 22 -27.732 3.913 -5.668 163 HB2 ARG 22 2HB ARG 22 -25.704 2.473 -4.791 164 HB3 ARG 22 3HB ARG 22 -26.367 2.886 -3.216 165 HG2 ARG 22 2HG ARG 22 -28.548 1.954 -3.953 166 HG3 ARG 22 3HG ARG 22 -27.764 1.422 -5.443 167 HD2 ARG 22 2HD ARG 22 -27.862 -0.409 -3.866 168 HD3 ARG 22 3HD ARG 22 -26.187 0.085 -4.107 169 HE ARG 22 HE ARG 22 -27.467 1.328 -1.847 170 HH11 ARG 22 1HH1 ARG 22 -25.665 -1.429 -2.976 171 HH12 ARG 22 2HH1 ARG 22 -25.048 -1.832 -1.408 172 HH21 ARG 22 1HH2 ARG 22 -26.662 0.807 0.222 173 HH22 ARG 22 2HH2 ARG 22 -25.617 -0.560 0.411 174 H ARG 23 H ARG 23 -26.206 5.471 -2.881 175 HA ARG 23 HA ARG 23 -28.414 5.547 -1.179 176 HB2 ARG 23 2HB ARG 23 -26.440 6.158 -0.139 177 HB3 ARG 23 3HB ARG 23 -25.940 7.197 -1.467 178 HG2 ARG 23 2HG ARG 23 -27.138 8.984 -0.709 179 HG3 ARG 23 3HG ARG 23 -28.342 7.975 0.095 180 HD2 ARG 23 2HD ARG 23 -25.850 7.477 1.337 181 HD3 ARG 23 3HD ARG 23 -26.026 9.225 1.194 182 HE ARG 23 HE ARG 23 -28.357 7.887 2.227 183 HH11 ARG 23 1HH1 ARG 23 -25.305 9.369 3.008 184 HH12 ARG 23 2HH1 ARG 23 -25.748 9.722 4.646 185 HH21 ARG 23 1HH2 ARG 23 -28.951 8.346 4.381 186 HH22 ARG 23 2HH2 ARG 23 -27.821 9.138 5.426 187 H PHE 24 H PHE 24 -27.636 7.458 -3.976 188 HA PHE 24 HA PHE 24 -29.595 9.501 -3.407 189 HB2 PHE 24 2HB PHE 24 -27.448 9.870 -4.710 190 HB3 PHE 24 3HB PHE 24 -28.204 8.997 -6.038 191 HD1 PHE 24 HD1 PHE 24 -30.071 9.961 -7.259 192 HD2 PHE 24 HD2 PHE 24 -28.142 12.092 -4.120 193 HE1 PHE 24 HE1 PHE 24 -31.132 12.045 -8.027 194 HE2 PHE 24 HE2 PHE 24 -29.200 14.179 -4.882 195 HZ PHE 24 HZ PHE 24 -30.698 14.157 -6.837 196 H THR 25 H THR 25 -29.321 6.675 -5.501 197 HA THR 25 HA THR 25 -31.956 7.117 -6.633 198 HB THR 25 HB THR 25 -29.963 6.136 -7.911 199 HG1 THR 25 HG1 THR 25 -31.529 4.473 -8.854 200 HG21 THR 25 3HG2 THR 25 -29.334 3.936 -7.616 201 HG22 THR 25 1HG2 THR 25 -30.850 3.495 -6.833 202 HG23 THR 25 2HG2 THR 25 -29.640 4.425 -5.950 Start of MODEL 3 1 H1 GLN 1 H GLN 1 1.404 -0.985 0.592 2 HA GLN 1 HA GLN 1 3.011 0.295 -0.749 3 HB2 GLN 1 2HB GLN 1 1.890 -2.216 -1.501 4 HB3 GLN 1 3HB GLN 1 2.228 -1.307 -2.968 5 HG2 GLN 1 2HG GLN 1 4.538 -0.886 -1.902 6 HG3 GLN 1 3HG GLN 1 4.119 -2.236 -0.849 7 HE21 GLN 1 1HE2 GLN 1 5.515 -1.358 -3.733 8 HE22 GLN 1 2HE2 GLN 1 5.522 -2.899 -4.513 9 H ARG 2 H ARG 2 3.400 1.614 -2.539 10 HA ARG 2 HA ARG 2 1.151 3.188 -3.373 11 HB2 ARG 2 2HB ARG 2 3.940 3.379 -4.493 12 HB3 ARG 2 3HB ARG 2 2.726 4.645 -4.371 13 HG2 ARG 2 2HG ARG 2 3.202 5.088 -2.201 14 HG3 ARG 2 3HG ARG 2 3.642 3.417 -1.841 15 HD2 ARG 2 2HD ARG 2 5.702 4.413 -1.751 16 HD3 ARG 2 3HD ARG 2 5.652 3.943 -3.450 17 HE ARG 2 HE ARG 2 4.620 6.567 -3.046 18 HH11 ARG 2 1HH1 ARG 2 7.567 4.732 -3.309 19 HH12 ARG 2 2HH1 ARG 2 8.506 6.076 -3.869 20 HH21 ARG 2 1HH2 ARG 2 5.846 8.343 -3.783 21 HH22 ARG 2 2HH2 ARG 2 7.527 8.129 -4.138 22 H SER 3 H SER 3 3.359 0.900 -4.922 23 HA SER 3 HA SER 3 2.487 1.211 -7.559 24 HB2 SER 3 2HB SER 3 3.520 -1.302 -6.222 25 HB3 SER 3 3HB SER 3 3.451 -1.014 -7.960 26 HG SER 3 HG SER 3 4.890 0.753 -7.622 27 H ASN 4 H ASN 4 1.258 -0.821 -4.947 28 HA ASN 4 HA ASN 4 -0.736 -2.055 -6.625 29 HB2 ASN 4 2HB ASN 4 -0.353 -2.117 -3.623 30 HB3 ASN 4 3HB ASN 4 -1.515 -3.097 -4.512 31 HD21 ASN 4 1HD2 ASN 4 -0.193 -4.737 -3.277 32 HD22 ASN 4 2HD2 ASN 4 1.174 -5.401 -4.099 33 H PHE 5 H PHE 5 -0.470 0.805 -4.774 34 HA PHE 5 HA PHE 5 -3.175 1.184 -4.056 35 HB2 PHE 5 2HB PHE 5 -1.228 2.453 -3.114 36 HB3 PHE 5 3HB PHE 5 -1.126 3.330 -4.637 37 HD1 PHE 5 HD1 PHE 5 -3.207 2.727 -1.659 38 HD2 PHE 5 HD2 PHE 5 -2.612 5.107 -5.137 39 HE1 PHE 5 HE1 PHE 5 -4.858 4.350 -0.826 40 HE2 PHE 5 HE2 PHE 5 -4.260 6.735 -4.310 41 HZ PHE 5 HZ PHE 5 -5.385 6.358 -2.151 42 H HIS 6 H HIS 6 -1.320 2.020 -6.935 43 HA HIS 6 HA HIS 6 -3.179 3.662 -8.209 44 HB2 HIS 6 2HB HIS 6 -0.872 2.012 -9.061 45 HB3 HIS 6 3HB HIS 6 -2.024 2.438 -10.323 46 HD1 HIS 6 HD1 HIS 6 0.681 3.827 -8.229 47 HD2 HIS 6 HD2 HIS 6 -2.242 5.245 -10.819 48 HE1 HIS 6 HE1 HIS 6 1.345 6.193 -8.760 49 HA PRO 7 HA PRO 7 -4.960 -0.292 -10.349 50 HB2 PRO 7 2HB PRO 7 -4.238 -2.693 -9.308 51 HB3 PRO 7 3HB PRO 7 -3.330 -1.892 -10.596 52 HG2 PRO 7 2HG PRO 7 -2.777 -1.969 -7.654 53 HG3 PRO 7 3HG PRO 7 -1.647 -2.144 -9.010 54 HD2 PRO 7 2HD PRO 7 -1.925 0.172 -7.634 55 HD3 PRO 7 3HD PRO 7 -1.522 0.130 -9.363 56 H LEU 8 H LEU 8 -4.469 -0.171 -6.897 57 HA LEU 8 HA LEU 8 -6.882 -1.625 -6.273 58 HB2 LEU 8 2HB LEU 8 -5.071 -1.812 -4.736 59 HB3 LEU 8 3HB LEU 8 -4.931 -0.060 -4.600 60 HG LEU 8 HG LEU 8 -7.484 -1.322 -3.747 61 HD11 LEU 8 1HD1 LEU 8 -4.933 -2.108 -2.693 62 HD12 LEU 8 2HD1 LEU 8 -6.547 -2.664 -2.252 63 HD13 LEU 8 3HD1 LEU 8 -5.860 -1.242 -1.468 64 HD21 LEU 8 3HD2 LEU 8 -5.865 1.098 -3.135 65 HD22 LEU 8 1HD2 LEU 8 -6.935 0.462 -1.886 66 HD23 LEU 8 2HD2 LEU 8 -7.594 0.942 -3.449 67 H ALA 9 H ALA 9 -5.977 1.648 -6.874 68 HA ALA 9 HA ALA 9 -7.964 3.028 -5.473 69 HB1 ALA 9 1HB ALA 9 -6.142 4.236 -6.426 70 HB2 ALA 9 2HB ALA 9 -6.562 3.698 -8.053 71 HB3 ALA 9 3HB ALA 9 -7.623 4.812 -7.191 72 H ALA 10 H ALA 10 -8.006 1.570 -8.698 73 HA ALA 10 HA ALA 10 -10.530 2.518 -9.495 74 HB1 ALA 10 1HB ALA 10 -10.477 0.548 -11.070 75 HB2 ALA 10 2HB ALA 10 -9.097 1.643 -11.162 76 HB3 ALA 10 3HB ALA 10 -8.944 0.100 -10.323 77 H SER 11 H SER 11 -9.563 -0.465 -7.839 78 HA SER 11 HA SER 11 -12.114 -1.653 -7.774 79 HB2 SER 11 2HB SER 11 -9.731 -2.006 -5.943 80 HB3 SER 11 3HB SER 11 -11.166 -3.030 -5.907 81 HG SER 11 HG SER 11 -10.620 -3.899 -7.798 82 H PHE 12 H PHE 12 -10.410 0.389 -5.426 83 HA PHE 12 HA PHE 12 -12.507 0.339 -3.501 84 HB2 PHE 12 2HB PHE 12 -10.020 1.972 -3.878 85 HB3 PHE 12 3HB PHE 12 -11.211 2.458 -2.676 86 HD1 PHE 12 HD1 PHE 12 -9.782 -0.822 -3.743 87 HD2 PHE 12 HD2 PHE 12 -10.540 1.901 -0.560 88 HE1 PHE 12 HE1 PHE 12 -8.816 -2.425 -2.146 89 HE2 PHE 12 HE2 PHE 12 -9.574 0.303 1.042 90 HZ PHE 12 HZ PHE 12 -8.710 -1.863 0.250 91 H ILE 13 H ILE 13 -11.832 2.252 -6.313 92 HA ILE 13 HA ILE 13 -13.581 4.420 -5.634 93 HB ILE 13 HB ILE 13 -12.104 3.611 -8.106 94 HG12 ILE 13 2HG1 ILE 13 -10.990 4.932 -6.334 95 HG13 ILE 13 3HG1 ILE 13 -11.101 5.816 -7.852 96 HG21 ILE 13 1HG2 ILE 13 -14.363 5.587 -7.952 97 HG22 ILE 13 2HG2 ILE 13 -13.118 5.662 -9.198 98 HG23 ILE 13 3HG2 ILE 13 -14.158 4.242 -9.075 99 HD11 ILE 13 3HD1 ILE 13 -12.279 7.446 -6.918 100 HD12 ILE 13 1HD1 ILE 13 -13.371 6.314 -6.123 101 HD13 ILE 13 2HD1 ILE 13 -11.834 6.735 -5.367 102 H VAL 14 H VAL 14 -13.824 1.503 -7.616 103 HA VAL 14 HA VAL 14 -16.426 2.075 -8.624 104 HB VAL 14 HB VAL 14 -14.997 -0.579 -8.403 105 HG11 VAL 14 1HG1 VAL 14 -17.162 -1.235 -8.779 106 HG12 VAL 14 2HG1 VAL 14 -17.578 0.249 -9.639 107 HG13 VAL 14 3HG1 VAL 14 -16.609 -0.991 -10.436 108 HG21 VAL 14 3HG2 VAL 14 -13.830 -0.054 -10.234 109 HG22 VAL 14 1HG2 VAL 14 -15.245 0.627 -11.038 110 HG23 VAL 14 2HG2 VAL 14 -14.304 1.616 -9.922 111 H ARG 15 H ARG 15 -15.242 0.811 -5.656 112 HA ARG 15 HA ARG 15 -17.676 -0.559 -4.936 113 HB2 ARG 15 2HB ARG 15 -16.396 -1.500 -3.364 114 HB3 ARG 15 3HB ARG 15 -15.037 -0.616 -4.043 115 HG2 ARG 15 2HG ARG 15 -15.448 1.224 -2.497 116 HG3 ARG 15 3HG ARG 15 -16.826 0.351 -1.823 117 HD2 ARG 15 2HD ARG 15 -14.162 -0.984 -1.897 118 HD3 ARG 15 3HD ARG 15 -14.464 0.251 -0.675 119 HE ARG 15 HE ARG 15 -15.462 -2.407 -0.685 120 HH11 ARG 15 1HH1 ARG 15 -16.298 0.859 0.183 121 HH12 ARG 15 2HH1 ARG 15 -17.403 0.384 1.430 122 HH21 ARG 15 1HH2 ARG 15 -16.914 -3.046 0.953 123 HH22 ARG 15 2HH2 ARG 15 -17.752 -1.838 1.868 124 H CYS 16 H CYS 16 -16.133 2.530 -4.216 125 HA CYS 16 HA CYS 16 -18.251 3.306 -2.398 126 HB2 CYS 16 2HB CYS 16 -15.896 4.876 -3.469 127 HB3 CYS 16 3HB CYS 16 -16.994 5.425 -2.208 128 HG CYS 16 HG CYS 16 -14.352 3.419 -1.992 129 H ALA 17 H ALA 17 -17.241 3.951 -5.696 130 HA ALA 17 HA ALA 17 -18.905 6.155 -6.218 131 HB1 ALA 17 1HB ALA 17 -17.031 5.459 -7.661 132 HB2 ALA 17 2HB ALA 17 -17.971 4.057 -8.172 133 HB3 ALA 17 3HB ALA 17 -18.532 5.683 -8.559 134 H PHE 18 H PHE 18 -19.472 2.680 -6.410 135 HA PHE 18 HA PHE 18 -22.048 2.914 -7.623 136 HB2 PHE 18 2HB PHE 18 -20.434 0.877 -7.583 137 HB3 PHE 18 3HB PHE 18 -21.167 0.531 -6.020 138 HD1 PHE 18 HD2 PHE 18 -23.750 0.394 -5.970 139 HD2 PHE 18 HD1 PHE 18 -21.417 0.088 -9.516 140 HE1 PHE 18 HE2 PHE 18 -25.620 -0.740 -7.098 141 HE2 PHE 18 HE1 PHE 18 -23.283 -1.046 -10.651 142 HZ PHE 18 HZ PHE 18 -25.388 -1.462 -9.441 143 H GLU 19 H GLU 19 -20.862 2.592 -4.321 144 HA GLU 19 HA GLU 19 -23.493 2.355 -3.187 145 HB2 GLU 19 2HB GLU 19 -21.812 1.299 -1.930 146 HB3 GLU 19 3HB GLU 19 -20.734 2.683 -2.044 147 HG2 GLU 19 2HG GLU 19 -21.687 3.747 -0.300 148 HG3 GLU 19 3HG GLU 19 -23.301 3.146 -0.672 149 H HIS 20 H HIS 20 -21.305 4.929 -3.971 150 HA HIS 20 HA HIS 20 -22.450 6.914 -2.283 151 HB2 HIS 20 2HB HIS 20 -20.169 7.082 -3.247 152 HB3 HIS 20 3HB HIS 20 -20.882 7.285 -4.844 153 HD1 HIS 20 HD1 HIS 20 -22.548 9.477 -4.999 154 HD2 HIS 20 HD2 HIS 20 -19.715 9.419 -1.960 155 HE1 HIS 20 HE1 HIS 20 -22.317 11.867 -4.249 156 H SER 21 H SER 21 -23.065 5.824 -5.568 157 HA SER 21 HA SER 21 -24.972 7.937 -6.082 158 HB2 SER 21 2HB SER 21 -24.399 5.450 -7.711 159 HB3 SER 21 3HB SER 21 -25.270 6.884 -8.253 160 HG SER 21 HG SER 21 -22.579 6.924 -7.362 161 H ARG 22 H ARG 22 -25.005 4.550 -5.167 162 HA ARG 22 HA ARG 22 -27.680 3.940 -5.626 163 HB2 ARG 22 2HB ARG 22 -25.657 2.490 -4.754 164 HB3 ARG 22 3HB ARG 22 -26.320 2.897 -3.178 165 HG2 ARG 22 2HG ARG 22 -28.503 1.974 -3.920 166 HG3 ARG 22 3HG ARG 22 -27.721 1.451 -5.413 167 HD2 ARG 22 2HD ARG 22 -27.881 -0.353 -3.739 168 HD3 ARG 22 3HD ARG 22 -26.215 0.028 -4.172 169 HE ARG 22 HE ARG 22 -27.156 1.424 -1.841 170 HH11 ARG 22 1HH1 ARG 22 -25.703 -1.505 -3.037 171 HH12 ARG 22 2HH1 ARG 22 -24.959 -1.908 -1.526 172 HH21 ARG 22 1HH2 ARG 22 -26.181 0.904 0.155 173 HH22 ARG 22 2HH2 ARG 22 -25.232 -0.537 0.290 174 H ARG 23 H ARG 23 -26.150 5.480 -2.831 175 HA ARG 23 HA ARG 23 -28.358 5.555 -1.129 176 HB2 ARG 23 2HB ARG 23 -26.386 6.158 -0.084 177 HB3 ARG 23 3HB ARG 23 -25.878 7.195 -1.409 178 HG2 ARG 23 2HG ARG 23 -27.068 8.988 -0.651 179 HG3 ARG 23 3HG ARG 23 -28.279 7.984 0.150 180 HD2 ARG 23 2HD ARG 23 -25.530 7.799 1.207 181 HD3 ARG 23 3HD ARG 23 -26.353 9.338 1.457 182 HE ARG 23 HE ARG 23 -26.877 6.890 2.802 183 HH11 ARG 23 1HH1 ARG 23 -28.404 9.767 1.575 184 HH12 ARG 23 2HH1 ARG 23 -29.714 9.713 2.708 185 HH21 ARG 23 1HH2 ARG 23 -28.596 6.808 4.300 186 HH22 ARG 23 2HH2 ARG 23 -29.821 8.030 4.259 187 H PHE 24 H PHE 24 -27.570 7.482 -3.915 188 HA PHE 24 HA PHE 24 -29.530 9.522 -3.337 189 HB2 PHE 24 2HB PHE 24 -27.376 9.900 -4.627 190 HB3 PHE 24 3HB PHE 24 -28.127 9.038 -5.966 191 HD1 PHE 24 HD1 PHE 24 -30.416 9.948 -6.771 192 HD2 PHE 24 HD2 PHE 24 -27.645 12.184 -4.439 193 HE1 PHE 24 HE1 PHE 24 -31.473 12.038 -7.526 194 HE2 PHE 24 HE2 PHE 24 -28.698 14.277 -5.188 195 HZ PHE 24 HZ PHE 24 -30.615 14.207 -6.733 196 H THR 25 H THR 25 -29.247 6.713 -5.452 197 HA THR 25 HA THR 25 -31.874 7.165 -6.598 198 HB THR 25 HB THR 25 -29.880 6.186 -7.870 199 HG1 THR 25 HG1 THR 25 -32.523 5.257 -7.848 200 HG21 THR 25 3HG2 THR 25 -29.072 4.143 -7.393 201 HG22 THR 25 1HG2 THR 25 -30.674 3.480 -7.076 202 HG23 THR 25 2HG2 THR 25 -29.826 4.378 -5.817 Start of MODEL 4 1 H1 GLN 1 H GLN 1 1.893 0.309 0.798 2 HA GLN 1 HA GLN 1 3.133 0.378 -1.116 3 HB2 GLN 1 2HB GLN 1 1.385 -1.891 -1.215 4 HB3 GLN 1 3HB GLN 1 1.620 -1.275 -2.846 5 HG2 GLN 1 2HG GLN 1 3.906 -1.832 -0.983 6 HG3 GLN 1 3HG GLN 1 3.228 -3.054 -2.057 7 HE21 GLN 1 1HE2 GLN 1 4.060 -3.205 -4.015 8 HE22 GLN 1 2HE2 GLN 1 5.021 -2.005 -4.803 9 H ARG 2 H ARG 2 3.354 1.814 -2.709 10 HA ARG 2 HA ARG 2 1.085 3.346 -3.566 11 HB2 ARG 2 2HB ARG 2 3.859 3.515 -4.727 12 HB3 ARG 2 3HB ARG 2 2.639 4.778 -4.631 13 HG2 ARG 2 2HG ARG 2 3.140 5.296 -2.484 14 HG3 ARG 2 3HG ARG 2 3.593 3.640 -2.074 15 HD2 ARG 2 2HD ARG 2 5.636 3.986 -3.530 16 HD3 ARG 2 3HD ARG 2 5.212 5.698 -3.555 17 HE ARG 2 HE ARG 2 5.367 4.628 -0.904 18 HH11 ARG 2 1HH1 ARG 2 7.220 5.934 -3.547 19 HH12 ARG 2 2HH1 ARG 2 8.518 6.480 -2.538 20 HH21 ARG 2 1HH2 ARG 2 7.070 5.343 0.435 21 HH22 ARG 2 2HH2 ARG 2 8.433 6.142 -0.273 22 H SER 3 H SER 3 3.287 1.021 -5.069 23 HA SER 3 HA SER 3 2.379 1.242 -7.702 24 HB2 SER 3 2HB SER 3 3.444 -1.222 -6.299 25 HB3 SER 3 3HB SER 3 3.351 -0.989 -8.045 26 HG SER 3 HG SER 3 4.643 1.063 -7.342 27 H ASN 4 H ASN 4 1.196 -0.712 -5.010 28 HA ASN 4 HA ASN 4 -0.812 -2.011 -6.621 29 HB2 ASN 4 2HB ASN 4 -0.389 -1.974 -3.625 30 HB3 ASN 4 3HB ASN 4 -1.557 -2.988 -4.466 31 HD21 ASN 4 1HD2 ASN 4 -0.408 -4.138 -6.442 32 HD22 ASN 4 2HD2 ASN 4 1.028 -4.993 -6.004 33 H PHE 5 H PHE 5 -0.539 0.909 -4.867 34 HA PHE 5 HA PHE 5 -3.237 1.296 -4.125 35 HB2 PHE 5 2HB PHE 5 -1.286 2.605 -3.250 36 HB3 PHE 5 3HB PHE 5 -1.209 3.433 -4.801 37 HD1 PHE 5 HD1 PHE 5 -3.240 2.919 -1.774 38 HD2 PHE 5 HD2 PHE 5 -2.719 5.179 -5.343 39 HE1 PHE 5 HE1 PHE 5 -4.889 4.560 -0.972 40 HE2 PHE 5 HE2 PHE 5 -4.366 6.824 -4.546 41 HZ PHE 5 HZ PHE 5 -5.453 6.516 -2.358 42 H HIS 6 H HIS 6 -1.425 2.050 -7.054 43 HA HIS 6 HA HIS 6 -3.310 3.639 -8.354 44 HB2 HIS 6 2HB HIS 6 -1.005 1.975 -9.184 45 HB3 HIS 6 3HB HIS 6 -2.175 2.355 -10.443 46 HD1 HIS 6 HD1 HIS 6 -0.615 4.466 -7.677 47 HD2 HIS 6 HD2 HIS 6 -1.248 4.500 -11.783 48 HE1 HIS 6 HE1 HIS 6 0.324 6.655 -8.483 49 HA PRO 7 HA PRO 7 -5.095 -0.391 -10.344 50 HB2 PRO 7 2HB PRO 7 -4.344 -2.753 -9.236 51 HB3 PRO 7 3HB PRO 7 -3.458 -1.989 -10.560 52 HG2 PRO 7 2HG PRO 7 -2.867 -1.969 -7.626 53 HG3 PRO 7 3HG PRO 7 -1.754 -2.181 -8.990 54 HD2 PRO 7 2HD PRO 7 -2.028 0.176 -7.685 55 HD3 PRO 7 3HD PRO 7 -1.647 0.082 -9.417 56 H LEU 8 H LEU 8 -4.560 -0.157 -6.904 57 HA LEU 8 HA LEU 8 -6.956 -1.604 -6.202 58 HB2 LEU 8 2HB LEU 8 -5.123 -1.731 -4.684 59 HB3 LEU 8 3HB LEU 8 -4.992 0.024 -4.605 60 HG LEU 8 HG LEU 8 -7.526 -1.225 -3.679 61 HD11 LEU 8 1HD1 LEU 8 -6.568 -2.503 -2.143 62 HD12 LEU 8 2HD1 LEU 8 -5.857 -1.055 -1.430 63 HD13 LEU 8 3HD1 LEU 8 -4.961 -1.973 -2.641 64 HD21 LEU 8 3HD2 LEU 8 -7.651 1.044 -3.449 65 HD22 LEU 8 1HD2 LEU 8 -5.919 1.225 -3.173 66 HD23 LEU 8 2HD2 LEU 8 -6.958 0.623 -1.882 67 H ALA 9 H ALA 9 -6.078 1.653 -6.919 68 HA ALA 9 HA ALA 9 -8.056 3.066 -5.536 69 HB1 ALA 9 1HB ALA 9 -6.253 4.254 -6.551 70 HB2 ALA 9 2HB ALA 9 -6.690 3.661 -8.154 71 HB3 ALA 9 3HB ALA 9 -7.747 4.796 -7.315 72 H ALA 10 H ALA 10 -8.130 1.505 -8.712 73 HA ALA 10 HA ALA 10 -10.669 2.414 -9.506 74 HB1 ALA 10 1HB ALA 10 -9.252 1.496 -11.163 75 HB2 ALA 10 2HB ALA 10 -9.079 -0.020 -10.278 76 HB3 ALA 10 3HB ALA 10 -10.624 0.396 -11.020 77 H SER 11 H SER 11 -9.662 -0.510 -7.769 78 HA SER 11 HA SER 11 -12.206 -1.710 -7.634 79 HB2 SER 11 2HB SER 11 -9.798 -1.990 -5.823 80 HB3 SER 11 3HB SER 11 -11.225 -3.023 -5.738 81 HG SER 11 HG SER 11 -9.527 -3.915 -7.024 82 H PHE 12 H PHE 12 -10.485 0.415 -5.375 83 HA PHE 12 HA PHE 12 -12.556 0.415 -3.421 84 HB2 PHE 12 2HB PHE 12 -10.085 2.049 -3.882 85 HB3 PHE 12 3HB PHE 12 -11.263 2.565 -2.680 86 HD1 PHE 12 HD2 PHE 12 -9.828 -0.739 -3.662 87 HD2 PHE 12 HD1 PHE 12 -10.559 2.081 -0.558 88 HE1 PHE 12 HE2 PHE 12 -8.831 -2.284 -2.028 89 HE2 PHE 12 HE1 PHE 12 -9.562 0.540 1.081 90 HZ PHE 12 HZ PHE 12 -8.698 -1.646 0.347 91 H ILE 13 H ILE 13 -11.929 2.241 -6.301 92 HA ILE 13 HA ILE 13 -13.683 4.420 -5.669 93 HB ILE 13 HB ILE 13 -12.231 3.541 -8.133 94 HG12 ILE 13 2HG1 ILE 13 -11.103 4.924 -6.418 95 HG13 ILE 13 3HG1 ILE 13 -11.239 5.759 -7.961 96 HG21 ILE 13 1HG2 ILE 13 -14.501 5.508 -8.012 97 HG22 ILE 13 2HG2 ILE 13 -13.272 5.551 -9.276 98 HG23 ILE 13 3HG2 ILE 13 -14.301 4.130 -9.095 99 HD11 ILE 13 3HD1 ILE 13 -11.948 6.747 -5.493 100 HD12 ILE 13 1HD1 ILE 13 -12.410 7.413 -7.059 101 HD13 ILE 13 2HD1 ILE 13 -13.490 6.298 -6.220 102 H VAL 14 H VAL 14 -13.933 1.440 -7.554 103 HA VAL 14 HA VAL 14 -16.550 1.965 -8.547 104 HB VAL 14 HB VAL 14 -15.102 -0.672 -8.261 105 HG11 VAL 14 1HG1 VAL 14 -17.199 -1.437 -8.649 106 HG12 VAL 14 2HG1 VAL 14 -17.738 0.081 -9.371 107 HG13 VAL 14 3HG1 VAL 14 -16.772 -1.053 -10.316 108 HG21 VAL 14 3HG2 VAL 14 -13.962 -0.199 -10.124 109 HG22 VAL 14 1HG2 VAL 14 -15.391 0.450 -10.929 110 HG23 VAL 14 2HG2 VAL 14 -14.441 1.477 -9.856 111 H ARG 15 H ARG 15 -15.321 0.802 -5.556 112 HA ARG 15 HA ARG 15 -17.737 -0.559 -4.762 113 HB2 ARG 15 2HB ARG 15 -16.432 -1.443 -3.177 114 HB3 ARG 15 3HB ARG 15 -15.086 -0.573 -3.902 115 HG2 ARG 15 2HG ARG 15 -15.489 1.312 -2.409 116 HG3 ARG 15 3HG ARG 15 -16.854 0.454 -1.691 117 HD2 ARG 15 2HD ARG 15 -14.145 -0.811 -1.753 118 HD3 ARG 15 3HD ARG 15 -14.528 0.395 -0.526 119 HE ARG 15 HE ARG 15 -16.595 -1.328 -0.340 120 HH11 ARG 15 1HH1 ARG 15 -13.140 -1.758 -0.347 121 HH12 ARG 15 2HH1 ARG 15 -13.183 -3.166 0.662 122 HH21 ARG 15 1HH2 ARG 15 -16.664 -3.180 0.990 123 HH22 ARG 15 2HH2 ARG 15 -15.187 -3.974 1.422 124 H CYS 16 H CYS 16 -16.204 2.560 -4.159 125 HA CYS 16 HA CYS 16 -18.304 3.380 -2.339 126 HB2 CYS 16 2HB CYS 16 -15.973 4.929 -3.489 127 HB3 CYS 16 3HB CYS 16 -17.058 5.511 -2.232 128 HG CYS 16 HG CYS 16 -16.272 3.102 -0.647 129 H ALA 17 H ALA 17 -17.340 3.927 -5.669 130 HA ALA 17 HA ALA 17 -19.024 6.104 -6.238 131 HB1 ALA 17 1HB ALA 17 -18.102 3.950 -8.137 132 HB2 ALA 17 2HB ALA 17 -18.678 5.561 -8.568 133 HB3 ALA 17 3HB ALA 17 -17.164 5.374 -7.683 134 H PHE 18 H PHE 18 -19.572 2.621 -6.314 135 HA PHE 18 HA PHE 18 -22.165 2.802 -7.501 136 HB2 PHE 18 2HB PHE 18 -20.536 0.777 -7.416 137 HB3 PHE 18 3HB PHE 18 -21.249 0.476 -5.835 138 HD1 PHE 18 HD2 PHE 18 -22.639 1.515 -9.140 139 HD2 PHE 18 HD1 PHE 18 -22.728 -1.269 -5.922 140 HE1 PHE 18 HE2 PHE 18 -24.513 0.338 -10.215 141 HE2 PHE 18 HE1 PHE 18 -24.602 -2.451 -6.992 142 HZ PHE 18 HZ PHE 18 -25.498 -1.648 -9.141 143 H GLU 19 H GLU 19 -20.934 2.591 -4.205 144 HA GLU 19 HA GLU 19 -23.550 2.374 -3.031 145 HB2 GLU 19 2HB GLU 19 -21.847 1.368 -1.763 146 HB3 GLU 19 3HB GLU 19 -20.779 2.754 -1.934 147 HG2 GLU 19 2HG GLU 19 -21.716 3.867 -0.213 148 HG3 GLU 19 3HG GLU 19 -23.332 3.244 -0.545 149 H HIS 20 H HIS 20 -21.388 4.935 -3.923 150 HA HIS 20 HA HIS 20 -22.524 6.965 -2.284 151 HB2 HIS 20 2HB HIS 20 -20.256 7.117 -3.281 152 HB3 HIS 20 3HB HIS 20 -20.990 7.265 -4.875 153 HD1 HIS 20 HD1 HIS 20 -20.687 9.138 -1.611 154 HD2 HIS 20 HD2 HIS 20 -21.793 9.800 -5.560 155 HE1 HIS 20 HE1 HIS 20 -20.966 11.629 -1.822 156 H SER 21 H SER 21 -23.173 5.769 -5.525 157 HA SER 21 HA SER 21 -25.100 7.854 -6.081 158 HB2 SER 21 2HB SER 21 -24.531 5.321 -7.638 159 HB3 SER 21 3HB SER 21 -25.419 6.732 -8.213 160 HG SER 21 HG SER 21 -22.840 7.152 -7.251 161 H ARG 22 H ARG 22 -25.100 4.498 -5.060 162 HA ARG 22 HA ARG 22 -27.777 3.858 -5.465 163 HB2 ARG 22 2HB ARG 22 -25.734 2.447 -4.575 164 HB3 ARG 22 3HB ARG 22 -26.379 2.900 -3.003 165 HG2 ARG 22 2HG ARG 22 -28.567 1.943 -3.689 166 HG3 ARG 22 3HG ARG 22 -27.798 1.373 -5.172 167 HD2 ARG 22 2HD ARG 22 -27.218 0.552 -2.338 168 HD3 ARG 22 3HD ARG 22 -27.789 -0.454 -3.668 169 HE ARG 22 HE ARG 22 -25.410 0.409 -4.576 170 HH11 ARG 22 1HH1 ARG 22 -26.393 -1.037 -1.565 171 HH12 ARG 22 2HH1 ARG 22 -24.865 -1.803 -1.284 172 HH21 ARG 22 1HH2 ARG 22 -23.394 -0.595 -4.217 173 HH22 ARG 22 2HH2 ARG 22 -23.159 -1.551 -2.793 174 H ARG 23 H ARG 23 -26.222 5.494 -2.740 175 HA ARG 23 HA ARG 23 -28.409 5.609 -1.013 176 HB2 ARG 23 2HB ARG 23 -26.428 6.257 -0.012 177 HB3 ARG 23 3HB ARG 23 -25.943 7.255 -1.376 178 HG2 ARG 23 2HG ARG 23 -27.135 9.063 -0.660 179 HG3 ARG 23 3HG ARG 23 -28.330 8.078 0.187 180 HD2 ARG 23 2HD ARG 23 -26.952 7.775 2.035 181 HD3 ARG 23 3HD ARG 23 -25.492 8.175 1.132 182 HE ARG 23 HE ARG 23 -25.823 10.360 1.686 183 HH11 ARG 23 1HH1 ARG 23 -28.848 8.667 2.001 184 HH12 ARG 23 2HH1 ARG 23 -29.692 10.030 2.660 185 HH21 ARG 23 1HH2 ARG 23 -26.922 12.162 2.552 186 HH22 ARG 23 2HH2 ARG 23 -28.595 12.017 2.971 187 H PHE 24 H PHE 24 -27.668 7.452 -3.868 188 HA PHE 24 HA PHE 24 -29.633 9.498 -3.330 189 HB2 PHE 24 2HB PHE 24 -27.499 9.848 -4.658 190 HB3 PHE 24 3HB PHE 24 -28.260 8.940 -5.960 191 HD1 PHE 24 HD1 PHE 24 -29.167 11.748 -3.669 192 HD2 PHE 24 HD2 PHE 24 -29.179 10.197 -7.633 193 HE1 PHE 24 HE1 PHE 24 -30.245 13.810 -4.469 194 HE2 PHE 24 HE2 PHE 24 -30.255 12.257 -8.439 195 HZ PHE 24 HZ PHE 24 -30.789 14.067 -6.857 196 H THR 25 H THR 25 -29.359 6.625 -5.360 197 HA THR 25 HA THR 25 -32.002 7.025 -6.486 198 HB THR 25 HB THR 25 -30.018 6.018 -7.751 199 HG1 THR 25 HG1 THR 25 -31.569 5.369 -9.028 200 HG21 THR 25 3HG2 THR 25 -29.190 3.997 -7.220 201 HG22 THR 25 1HG2 THR 25 -30.784 3.334 -6.862 202 HG23 THR 25 2HG2 THR 25 -29.927 4.276 -5.643 Start of MODEL 5 1 H1 GLN 1 H GLN 1 2.379 0.753 0.665 2 HA GLN 1 HA GLN 1 3.340 0.622 -1.437 3 HB2 GLN 1 2HB GLN 1 0.897 -1.128 -1.444 4 HB3 GLN 1 3HB GLN 1 1.973 -1.076 -2.834 5 HG2 GLN 1 2HG GLN 1 3.044 -1.616 -0.096 6 HG3 GLN 1 3HG GLN 1 2.310 -2.902 -1.052 7 HE21 GLN 1 1HE2 GLN 1 3.405 -3.756 -2.752 8 HE22 GLN 1 2HE2 GLN 1 5.026 -3.325 -3.166 9 H ARG 2 H ARG 2 3.497 2.155 -2.922 10 HA ARG 2 HA ARG 2 1.212 3.639 -3.820 11 HB2 ARG 2 2HB ARG 2 3.974 3.775 -5.013 12 HB3 ARG 2 3HB ARG 2 2.748 5.035 -4.957 13 HG2 ARG 2 2HG ARG 2 3.265 5.642 -2.837 14 HG3 ARG 2 3HG ARG 2 3.731 4.006 -2.365 15 HD2 ARG 2 2HD ARG 2 5.759 4.305 -3.854 16 HD3 ARG 2 3HD ARG 2 5.325 6.012 -3.941 17 HE ARG 2 HE ARG 2 6.123 6.285 -1.814 18 HH11 ARG 2 1HH1 ARG 2 5.668 2.890 -2.433 19 HH12 ARG 2 2HH1 ARG 2 6.432 2.386 -0.961 20 HH21 ARG 2 1HH2 ARG 2 7.131 5.635 0.126 21 HH22 ARG 2 2HH2 ARG 2 7.263 3.948 0.494 22 H SER 3 H SER 3 3.413 1.267 -5.248 23 HA SER 3 HA SER 3 2.481 1.375 -7.880 24 HB2 SER 3 2HB SER 3 4.538 0.159 -7.024 25 HB3 SER 3 3HB SER 3 3.456 -1.133 -6.504 26 HG SER 3 HG SER 3 4.384 -0.548 -8.989 27 H ASN 4 H ASN 4 1.331 -0.472 -5.100 28 HA ASN 4 HA ASN 4 -0.685 -1.845 -6.639 29 HB2 ASN 4 2HB ASN 4 -0.235 -1.685 -3.650 30 HB3 ASN 4 3HB ASN 4 -1.405 -2.738 -4.439 31 HD21 ASN 4 1HD2 ASN 4 -0.704 -4.545 -5.532 32 HD22 ASN 4 2HD2 ASN 4 0.910 -5.148 -5.399 33 H PHE 5 H PHE 5 -0.411 1.144 -5.006 34 HA PHE 5 HA PHE 5 -3.104 1.548 -4.257 35 HB2 PHE 5 2HB PHE 5 -1.150 2.901 -3.454 36 HB3 PHE 5 3HB PHE 5 -1.094 3.667 -5.038 37 HD1 PHE 5 HD1 PHE 5 -3.751 2.864 -2.538 38 HD2 PHE 5 HD2 PHE 5 -1.960 5.781 -5.067 39 HE1 PHE 5 HE1 PHE 5 -5.403 4.525 -1.785 40 HE2 PHE 5 HE2 PHE 5 -3.608 7.447 -4.318 41 HZ PHE 5 HZ PHE 5 -5.332 6.821 -2.674 42 H HIS 6 H HIS 6 -1.321 2.191 -7.230 43 HA HIS 6 HA HIS 6 -3.226 3.717 -8.577 44 HB2 HIS 6 2HB HIS 6 -0.919 2.033 -9.358 45 HB3 HIS 6 3HB HIS 6 -2.103 2.354 -10.622 46 HD1 HIS 6 HD1 HIS 6 -0.235 3.766 -11.829 47 HD2 HIS 6 HD2 HIS 6 -1.497 5.271 -8.168 48 HE1 HIS 6 HE1 HIS 6 0.608 6.134 -11.749 49 HA PRO 7 HA PRO 7 -5.008 -0.399 -10.385 50 HB2 PRO 7 2HB PRO 7 -4.235 -2.710 -9.189 51 HB3 PRO 7 3HB PRO 7 -3.365 -1.996 -10.552 52 HG2 PRO 7 2HG PRO 7 -2.748 -1.854 -7.626 53 HG3 PRO 7 3HG PRO 7 -1.646 -2.116 -8.990 54 HD2 PRO 7 2HD PRO 7 -1.920 0.291 -7.780 55 HD3 PRO 7 3HD PRO 7 -1.554 0.128 -9.509 56 H LEU 8 H LEU 8 -4.444 -0.023 -6.963 57 HA LEU 8 HA LEU 8 -6.826 -1.452 -6.181 58 HB2 LEU 8 2HB LEU 8 -4.979 -1.508 -4.676 59 HB3 LEU 8 3HB LEU 8 -4.857 0.250 -4.670 60 HG LEU 8 HG LEU 8 -7.376 -0.974 -3.671 61 HD11 LEU 8 1HD1 LEU 8 -4.798 -1.664 -2.625 62 HD12 LEU 8 2HD1 LEU 8 -6.396 -2.186 -2.095 63 HD13 LEU 8 3HD1 LEU 8 -5.692 -0.706 -1.445 64 HD21 LEU 8 3HD2 LEU 8 -7.521 1.297 -3.519 65 HD22 LEU 8 1HD2 LEU 8 -5.784 1.506 -3.293 66 HD23 LEU 8 2HD2 LEU 8 -6.787 0.949 -1.953 67 H ALA 9 H ALA 9 -5.971 1.778 -7.038 68 HA ALA 9 HA ALA 9 -7.943 3.237 -5.696 69 HB1 ALA 9 1HB ALA 9 -7.661 4.895 -7.546 70 HB2 ALA 9 2HB ALA 9 -6.157 4.391 -6.774 71 HB3 ALA 9 3HB ALA 9 -6.604 3.732 -8.348 72 H ALA 10 H ALA 10 -8.038 1.548 -8.805 73 HA ALA 10 HA ALA 10 -10.589 2.412 -9.612 74 HB1 ALA 10 1HB ALA 10 -10.548 0.334 -11.043 75 HB2 ALA 10 2HB ALA 10 -9.182 1.433 -11.243 76 HB3 ALA 10 3HB ALA 10 -8.994 -0.045 -10.299 77 H SER 11 H SER 11 -9.552 -0.434 -7.767 78 HA SER 11 HA SER 11 -12.088 -1.640 -7.560 79 HB2 SER 11 2HB SER 11 -9.661 -1.836 -5.762 80 HB3 SER 11 3HB SER 11 -11.083 -2.870 -5.621 81 HG SER 11 HG SER 11 -9.431 -3.835 -6.883 82 H PHE 12 H PHE 12 -10.357 0.583 -5.405 83 HA PHE 12 HA PHE 12 -12.411 0.651 -3.434 84 HB2 PHE 12 2HB PHE 12 -9.952 2.277 -3.983 85 HB3 PHE 12 3HB PHE 12 -11.122 2.837 -2.792 86 HD1 PHE 12 HD1 PHE 12 -9.680 -0.498 -3.652 87 HD2 PHE 12 HD2 PHE 12 -10.398 2.441 -0.658 88 HE1 PHE 12 HE1 PHE 12 -8.662 -1.972 -1.966 89 HE2 PHE 12 HE2 PHE 12 -9.380 0.972 1.033 90 HZ PHE 12 HZ PHE 12 -8.509 -1.237 0.380 91 H ILE 13 H ILE 13 -11.819 2.363 -6.390 92 HA ILE 13 HA ILE 13 -13.578 4.557 -5.831 93 HB ILE 13 HB ILE 13 -12.144 3.586 -8.271 94 HG12 ILE 13 2HG1 ILE 13 -11.008 5.043 -6.623 95 HG13 ILE 13 3HG1 ILE 13 -11.161 5.813 -8.198 96 HG21 ILE 13 1HG2 ILE 13 -14.423 5.546 -8.209 97 HG22 ILE 13 2HG2 ILE 13 -13.206 5.543 -9.484 98 HG23 ILE 13 3HG2 ILE 13 -14.226 4.126 -9.237 99 HD11 ILE 13 3HD1 ILE 13 -13.401 6.412 -6.461 100 HD12 ILE 13 1HD1 ILE 13 -11.855 6.899 -5.767 101 HD13 ILE 13 2HD1 ILE 13 -12.337 7.496 -7.356 102 H VAL 14 H VAL 14 -13.830 1.502 -7.592 103 HA VAL 14 HA VAL 14 -16.459 1.974 -8.580 104 HB VAL 14 HB VAL 14 -14.995 -0.643 -8.202 105 HG11 VAL 14 1HG1 VAL 14 -16.730 -0.992 -10.279 106 HG12 VAL 14 2HG1 VAL 14 -17.017 -1.518 -8.619 107 HG13 VAL 14 3HG1 VAL 14 -17.671 0.020 -9.184 108 HG21 VAL 14 3HG2 VAL 14 -15.245 0.187 -10.922 109 HG22 VAL 14 1HG2 VAL 14 -14.520 1.493 -9.985 110 HG23 VAL 14 2HG2 VAL 14 -13.781 -0.108 -9.984 111 H ARG 15 H ARG 15 -15.197 0.939 -5.556 112 HA ARG 15 HA ARG 15 -17.598 -0.401 -4.686 113 HB2 ARG 15 2HB ARG 15 -16.275 -1.213 -3.079 114 HB3 ARG 15 3HB ARG 15 -14.940 -0.367 -3.851 115 HG2 ARG 15 2HG ARG 15 -15.339 1.575 -2.432 116 HG3 ARG 15 3HG ARG 15 -16.693 0.740 -1.667 117 HD2 ARG 15 2HD ARG 15 -13.872 -0.314 -1.676 118 HD3 ARG 15 3HD ARG 15 -14.531 0.689 -0.385 119 HE ARG 15 HE ARG 15 -15.000 -2.092 -0.802 120 HH11 ARG 15 1HH1 ARG 15 -16.444 0.842 0.393 121 HH12 ARG 15 2HH1 ARG 15 -17.520 0.025 1.477 122 HH21 ARG 15 1HH2 ARG 15 -16.413 -3.179 0.621 123 HH22 ARG 15 2HH2 ARG 15 -17.501 -2.262 1.607 124 H CYS 16 H CYS 16 -16.076 2.748 -4.223 125 HA CYS 16 HA CYS 16 -18.164 3.631 -2.420 126 HB2 CYS 16 2HB CYS 16 -15.851 5.144 -3.652 127 HB3 CYS 16 3HB CYS 16 -16.928 5.770 -2.409 128 HG CYS 16 HG CYS 16 -16.033 4.240 -0.376 129 H ALA 17 H ALA 17 -17.233 4.047 -5.777 130 HA ALA 17 HA ALA 17 -18.932 6.191 -6.419 131 HB1 ALA 17 1HB ALA 17 -17.083 5.412 -7.850 132 HB2 ALA 17 2HB ALA 17 -18.017 3.966 -8.237 133 HB3 ALA 17 3HB ALA 17 -18.606 5.554 -8.728 134 H PHE 18 H PHE 18 -19.465 2.706 -6.350 135 HA PHE 18 HA PHE 18 -22.071 2.830 -7.515 136 HB2 PHE 18 2HB PHE 18 -20.430 0.818 -7.374 137 HB3 PHE 18 3HB PHE 18 -21.127 0.570 -5.777 138 HD1 PHE 18 HD2 PHE 18 -21.825 0.600 -9.385 139 HD2 PHE 18 HD1 PHE 18 -23.327 -0.299 -5.505 140 HE1 PHE 18 HE2 PHE 18 -23.702 -0.624 -10.399 141 HE2 PHE 18 HE1 PHE 18 -25.206 -1.526 -6.513 142 HZ PHE 18 HZ PHE 18 -25.396 -1.688 -8.963 143 H GLU 19 H GLU 19 -20.802 2.741 -4.228 144 HA GLU 19 HA GLU 19 -23.399 2.551 -3.013 145 HB2 GLU 19 2HB GLU 19 -21.673 1.613 -1.726 146 HB3 GLU 19 3HB GLU 19 -20.617 2.997 -1.970 147 HG2 GLU 19 2HG GLU 19 -21.538 4.175 -0.283 148 HG3 GLU 19 3HG GLU 19 -23.153 3.529 -0.566 149 H HIS 20 H HIS 20 -21.269 5.098 -4.024 150 HA HIS 20 HA HIS 20 -22.403 7.179 -2.453 151 HB2 HIS 20 2HB HIS 20 -20.155 7.314 -3.494 152 HB3 HIS 20 3HB HIS 20 -20.918 7.390 -5.080 153 HD1 HIS 20 HD1 HIS 20 -22.567 9.548 -5.397 154 HD2 HIS 20 HD2 HIS 20 -19.764 9.736 -2.336 155 HE1 HIS 20 HE1 HIS 20 -22.372 11.986 -4.812 156 H SER 21 H SER 21 -23.094 5.852 -5.634 157 HA SER 21 HA SER 21 -25.059 7.891 -6.227 158 HB2 SER 21 2HB SER 21 -24.467 5.322 -7.715 159 HB3 SER 21 3HB SER 21 -25.392 6.697 -8.319 160 HG SER 21 HG SER 21 -22.808 7.198 -7.413 161 H ARG 22 H ARG 22 -24.982 4.587 -5.070 162 HA ARG 22 HA ARG 22 -27.634 3.848 -5.431 163 HB2 ARG 22 2HB ARG 22 -25.541 2.575 -4.427 164 HB3 ARG 22 3HB ARG 22 -26.250 3.084 -2.900 165 HG2 ARG 22 2HG ARG 22 -28.366 1.991 -3.566 166 HG3 ARG 22 3HG ARG 22 -27.563 1.404 -5.023 167 HD2 ARG 22 2HD ARG 22 -27.421 -0.387 -3.529 168 HD3 ARG 22 3HD ARG 22 -25.837 0.382 -3.435 169 HE ARG 22 HE ARG 22 -26.279 0.966 -1.258 170 HH11 ARG 22 1HH1 ARG 22 -29.211 -0.112 -2.794 171 HH12 ARG 22 2HH1 ARG 22 -30.122 -0.155 -1.321 172 HH21 ARG 22 1HH2 ARG 22 -27.467 0.914 0.688 173 HH22 ARG 22 2HH2 ARG 22 -29.129 0.430 0.659 174 H ARG 23 H ARG 23 -26.148 5.681 -2.791 175 HA ARG 23 HA ARG 23 -28.356 5.843 -1.097 176 HB2 ARG 23 2HB ARG 23 -26.393 8.096 -1.464 177 HB3 ARG 23 3HB ARG 23 -27.235 7.611 0.001 178 HG2 ARG 23 2HG ARG 23 -25.777 5.366 -0.731 179 HG3 ARG 23 3HG ARG 23 -24.698 6.726 -1.048 180 HD2 ARG 23 2HD ARG 23 -24.278 6.146 1.181 181 HD3 ARG 23 3HD ARG 23 -25.337 7.552 1.279 182 HE ARG 23 HE ARG 23 -26.738 5.044 1.343 183 HH11 ARG 23 1HH1 ARG 23 -25.071 7.441 3.238 184 HH12 ARG 23 2HH1 ARG 23 -25.883 7.029 4.712 185 HH21 ARG 23 1HH2 ARG 23 -27.813 4.491 3.277 186 HH22 ARG 23 2HH2 ARG 23 -27.442 5.350 4.734 187 H PHE 24 H PHE 24 -27.619 7.550 -4.039 188 HA PHE 24 HA PHE 24 -29.649 9.564 -3.640 189 HB2 PHE 24 2HB PHE 24 -27.503 9.905 -4.952 190 HB3 PHE 24 3HB PHE 24 -28.217 8.908 -6.215 191 HD1 PHE 24 HD1 PHE 24 -30.188 9.697 -7.451 192 HD2 PHE 24 HD2 PHE 24 -28.192 12.156 -4.608 193 HE1 PHE 24 HE1 PHE 24 -31.310 11.679 -8.383 194 HE2 PHE 24 HE2 PHE 24 -29.311 14.142 -5.534 195 HZ PHE 24 HZ PHE 24 -30.873 13.905 -7.423 196 H THR 25 H THR 25 -29.263 6.595 -5.506 197 HA THR 25 HA THR 25 -31.897 6.861 -6.694 198 HB THR 25 HB THR 25 -29.864 5.844 -7.872 199 HG1 THR 25 HG1 THR 25 -32.216 5.603 -8.422 200 HG21 THR 25 3HG2 THR 25 -30.575 3.191 -6.852 201 HG22 THR 25 1HG2 THR 25 -29.762 4.220 -5.673 202 HG23 THR 25 2HG2 THR 25 -28.993 3.876 -7.222 Start of MODEL 6 1 H1 GLN 1 H GLN 1 1.800 -0.511 0.215 2 HA GLN 1 HA GLN 1 3.329 0.586 -1.356 3 HB2 GLN 1 2HB GLN 1 1.777 -1.502 -2.877 4 HB3 GLN 1 3HB GLN 1 3.486 -1.111 -3.013 5 HG2 GLN 1 2HG GLN 1 2.113 -2.461 -0.703 6 HG3 GLN 1 3HG GLN 1 3.245 -3.184 -1.844 7 HE21 GLN 1 1HE2 GLN 1 3.342 -2.942 1.086 8 HE22 GLN 1 2HE2 GLN 1 4.835 -2.148 1.438 9 H ARG 2 H ARG 2 3.607 1.803 -3.210 10 HA ARG 2 HA ARG 2 1.317 3.315 -4.048 11 HB2 ARG 2 2HB ARG 2 4.051 3.427 -5.305 12 HB3 ARG 2 3HB ARG 2 2.840 4.699 -5.216 13 HG2 ARG 2 2HG ARG 2 3.413 5.292 -3.106 14 HG3 ARG 2 3HG ARG 2 3.874 3.650 -2.651 15 HD2 ARG 2 2HD ARG 2 5.868 3.936 -4.190 16 HD3 ARG 2 3HD ARG 2 5.450 5.648 -4.254 17 HE ARG 2 HE ARG 2 6.683 4.246 -2.071 18 HH11 ARG 2 1HH1 ARG 2 4.762 7.004 -2.979 19 HH12 ARG 2 2HH1 ARG 2 5.221 7.942 -1.596 20 HH21 ARG 2 1HH2 ARG 2 7.294 5.471 -0.247 21 HH22 ARG 2 2HH2 ARG 2 6.661 7.070 -0.043 22 H SER 3 H SER 3 3.459 0.926 -5.536 23 HA SER 3 HA SER 3 2.467 1.054 -8.145 24 HB2 SER 3 2HB SER 3 4.531 -0.186 -7.341 25 HB3 SER 3 3HB SER 3 3.448 -1.469 -6.800 26 HG SER 3 HG SER 3 4.381 -1.659 -8.990 27 H ASN 4 H ASN 4 1.363 -0.792 -5.345 28 HA ASN 4 HA ASN 4 -0.702 -2.138 -6.842 29 HB2 ASN 4 2HB ASN 4 -0.182 -1.993 -3.864 30 HB3 ASN 4 3HB ASN 4 -1.381 -3.031 -4.629 31 HD21 ASN 4 1HD2 ASN 4 -0.109 -4.038 -6.760 32 HD22 ASN 4 2HD2 ASN 4 1.262 -4.970 -6.273 33 H PHE 5 H PHE 5 -0.359 0.843 -5.207 34 HA PHE 5 HA PHE 5 -3.030 1.272 -4.394 35 HB2 PHE 5 2HB PHE 5 -1.043 2.601 -3.633 36 HB3 PHE 5 3HB PHE 5 -1.017 3.373 -5.214 37 HD1 PHE 5 HD2 PHE 5 -2.729 4.964 -5.852 38 HD2 PHE 5 HD1 PHE 5 -2.755 3.119 -2.017 39 HE1 PHE 5 HE2 PHE 5 -4.343 6.643 -5.059 40 HE2 PHE 5 HE1 PHE 5 -4.370 4.794 -1.218 41 HZ PHE 5 HZ PHE 5 -5.165 6.560 -2.739 42 H HIS 6 H HIS 6 -1.310 1.907 -7.405 43 HA HIS 6 HA HIS 6 -3.229 3.458 -8.702 44 HB2 HIS 6 2HB HIS 6 -0.959 1.752 -9.543 45 HB3 HIS 6 3HB HIS 6 -2.168 2.090 -10.778 46 HD1 HIS 6 HD1 HIS 6 -1.955 4.268 -11.959 47 HD2 HIS 6 HD2 HIS 6 0.174 4.206 -8.392 48 HE1 HIS 6 HE1 HIS 6 -0.667 6.428 -11.906 49 HA PRO 7 HA PRO 7 -5.096 -0.633 -10.482 50 HB2 PRO 7 2HB PRO 7 -4.320 -2.957 -9.312 51 HB3 PRO 7 3HB PRO 7 -3.474 -2.247 -10.692 52 HG2 PRO 7 2HG PRO 7 -2.788 -2.122 -7.781 53 HG3 PRO 7 3HG PRO 7 -1.721 -2.390 -9.171 54 HD2 PRO 7 2HD PRO 7 -1.941 0.015 -7.947 55 HD3 PRO 7 3HD PRO 7 -1.618 -0.146 -9.685 56 H LEU 8 H LEU 8 -4.449 -0.275 -7.073 57 HA LEU 8 HA LEU 8 -6.827 -1.682 -6.241 58 HB2 LEU 8 2HB LEU 8 -4.947 -1.763 -4.779 59 HB3 LEU 8 3HB LEU 8 -4.805 -0.006 -4.770 60 HG LEU 8 HG LEU 8 -7.315 -1.204 -3.717 61 HD11 LEU 8 1HD1 LEU 8 -5.549 -0.959 -1.540 62 HD12 LEU 8 2HD1 LEU 8 -4.735 -1.956 -2.745 63 HD13 LEU 8 3HD1 LEU 8 -6.328 -2.419 -2.150 64 HD21 LEU 8 3HD2 LEU 8 -6.693 0.702 -2.010 65 HD22 LEU 8 1HD2 LEU 8 -7.409 1.078 -3.578 66 HD23 LEU 8 2HD2 LEU 8 -5.670 1.248 -3.339 67 H ALA 9 H ALA 9 -5.958 1.542 -7.106 68 HA ALA 9 HA ALA 9 -7.883 3.017 -5.714 69 HB1 ALA 9 1HB ALA 9 -7.627 4.677 -7.566 70 HB2 ALA 9 2HB ALA 9 -6.110 4.156 -6.831 71 HB3 ALA 9 3HB ALA 9 -6.601 3.506 -8.395 72 H ALA 10 H ALA 10 -8.068 1.339 -8.826 73 HA ALA 10 HA ALA 10 -10.628 2.232 -9.571 74 HB1 ALA 10 1HB ALA 10 -9.270 1.245 -11.237 75 HB2 ALA 10 2HB ALA 10 -9.075 -0.238 -10.301 76 HB3 ALA 10 3HB ALA 10 -10.641 0.159 -11.008 77 H SER 11 H SER 11 -9.579 -0.631 -7.759 78 HA SER 11 HA SER 11 -12.122 -1.810 -7.496 79 HB2 SER 11 2HB SER 11 -9.657 -2.036 -5.755 80 HB3 SER 11 3HB SER 11 -11.086 -3.056 -5.585 81 HG SER 11 HG SER 11 -9.314 -2.886 -7.787 82 H PHE 12 H PHE 12 -10.318 0.388 -5.375 83 HA PHE 12 HA PHE 12 -12.325 0.473 -3.357 84 HB2 PHE 12 2HB PHE 12 -9.863 2.075 -3.958 85 HB3 PHE 12 3HB PHE 12 -10.999 2.642 -2.739 86 HD1 PHE 12 HD2 PHE 12 -9.611 -0.704 -3.642 87 HD2 PHE 12 HD1 PHE 12 -10.229 2.233 -0.624 88 HE1 PHE 12 HE2 PHE 12 -8.568 -2.193 -1.984 89 HE2 PHE 12 HE1 PHE 12 -9.187 0.749 1.038 90 HZ PHE 12 HZ PHE 12 -8.355 -1.468 0.359 91 H ILE 13 H ILE 13 -11.783 2.187 -6.322 92 HA ILE 13 HA ILE 13 -13.506 4.398 -5.716 93 HB ILE 13 HB ILE 13 -12.140 3.419 -8.191 94 HG12 ILE 13 2HG1 ILE 13 -10.950 4.858 -6.566 95 HG13 ILE 13 3HG1 ILE 13 -11.132 5.635 -8.135 96 HG21 ILE 13 1HG2 ILE 13 -14.395 5.402 -8.071 97 HG22 ILE 13 2HG2 ILE 13 -13.208 5.390 -9.375 98 HG23 ILE 13 3HG2 ILE 13 -14.238 3.983 -9.107 99 HD11 ILE 13 3HD1 ILE 13 -12.271 7.327 -7.264 100 HD12 ILE 13 1HD1 ILE 13 -13.323 6.252 -6.343 101 HD13 ILE 13 2HD1 ILE 13 -11.754 6.724 -5.689 102 H VAL 14 H VAL 14 -13.831 1.350 -7.479 103 HA VAL 14 HA VAL 14 -16.477 1.853 -8.405 104 HB VAL 14 HB VAL 14 -15.033 -0.780 -8.066 105 HG11 VAL 14 1HG1 VAL 14 -17.622 -0.036 -9.385 106 HG12 VAL 14 2HG1 VAL 14 -16.701 -1.452 -9.898 107 HG13 VAL 14 3HG1 VAL 14 -17.294 -1.337 -8.241 108 HG21 VAL 14 3HG2 VAL 14 -15.334 0.054 -10.778 109 HG22 VAL 14 1HG2 VAL 14 -14.581 1.356 -9.857 110 HG23 VAL 14 2HG2 VAL 14 -13.852 -0.251 -9.871 111 H ARG 15 H ARG 15 -15.157 0.797 -5.413 112 HA ARG 15 HA ARG 15 -17.551 -0.520 -4.491 113 HB2 ARG 15 2HB ARG 15 -16.199 -1.349 -2.916 114 HB3 ARG 15 3HB ARG 15 -14.874 -0.515 -3.716 115 HG2 ARG 15 2HG ARG 15 -15.220 1.428 -2.285 116 HG3 ARG 15 3HG ARG 15 -16.565 0.606 -1.490 117 HD2 ARG 15 2HD ARG 15 -14.116 -0.975 -1.540 118 HD3 ARG 15 3HD ARG 15 -13.934 0.556 -0.686 119 HE ARG 15 HE ARG 15 -16.300 -0.772 0.130 120 HH11 ARG 15 1HH1 ARG 15 -12.837 -0.860 0.473 121 HH12 ARG 15 2HH1 ARG 15 -12.880 -1.606 2.037 122 HH21 ARG 15 1HH2 ARG 15 -16.370 -1.754 2.188 123 HH22 ARG 15 2HH2 ARG 15 -14.890 -2.115 3.010 124 H CYS 16 H CYS 16 -15.986 2.612 -4.055 125 HA CYS 16 HA CYS 16 -18.023 3.512 -2.203 126 HB2 CYS 16 2HB CYS 16 -15.724 5.004 -3.484 127 HB3 CYS 16 3HB CYS 16 -16.766 5.638 -2.216 128 HG CYS 16 HG CYS 16 -13.982 4.428 -1.667 129 H ALA 17 H ALA 17 -17.162 3.930 -5.579 130 HA ALA 17 HA ALA 17 -18.849 6.093 -6.181 131 HB1 ALA 17 1HB ALA 17 -17.048 5.290 -7.658 132 HB2 ALA 17 2HB ALA 17 -18.008 3.854 -8.017 133 HB3 ALA 17 3HB ALA 17 -18.592 5.447 -8.498 134 H PHE 18 H PHE 18 -19.430 2.614 -6.104 135 HA PHE 18 HA PHE 18 -22.067 2.785 -7.196 136 HB2 PHE 18 2HB PHE 18 -20.444 0.748 -7.109 137 HB3 PHE 18 3HB PHE 18 -21.117 0.495 -5.502 138 HD1 PHE 18 HD1 PHE 18 -22.050 0.836 -9.074 139 HD2 PHE 18 HD2 PHE 18 -23.151 -0.606 -5.224 140 HE1 PHE 18 HE1 PHE 18 -23.964 -0.348 -10.069 141 HE2 PHE 18 HE2 PHE 18 -25.065 -1.794 -6.213 142 HZ PHE 18 HZ PHE 18 -25.474 -1.666 -8.638 143 H GLU 19 H GLU 19 -20.706 2.629 -3.945 144 HA GLU 19 HA GLU 19 -23.262 2.463 -2.652 145 HB2 GLU 19 2HB GLU 19 -21.533 1.520 -1.396 146 HB3 GLU 19 3HB GLU 19 -20.440 2.859 -1.716 147 HG2 GLU 19 2HG GLU 19 -21.193 2.851 0.596 148 HG3 GLU 19 3HG GLU 19 -21.733 4.298 -0.253 149 H HIS 20 H HIS 20 -21.154 5.007 -3.718 150 HA HIS 20 HA HIS 20 -22.255 7.083 -2.110 151 HB2 HIS 20 2HB HIS 20 -20.015 7.204 -3.186 152 HB3 HIS 20 3HB HIS 20 -20.806 7.320 -4.755 153 HD1 HIS 20 HD1 HIS 20 -20.385 9.258 -1.542 154 HD2 HIS 20 HD2 HIS 20 -21.640 9.841 -5.459 155 HE1 HIS 20 HE1 HIS 20 -20.676 11.743 -1.792 156 H SER 21 H SER 21 -23.005 5.752 -5.270 157 HA SER 21 HA SER 21 -24.934 7.815 -5.876 158 HB2 SER 21 2HB SER 21 -24.457 5.184 -7.294 159 HB3 SER 21 3HB SER 21 -25.342 6.573 -7.923 160 HG SER 21 HG SER 21 -22.598 6.604 -7.199 161 H ARG 22 H ARG 22 -24.942 4.508 -4.689 162 HA ARG 22 HA ARG 22 -27.659 3.930 -4.938 163 HB2 ARG 22 2HB ARG 22 -25.581 3.015 -2.956 164 HB3 ARG 22 3HB ARG 22 -27.231 2.405 -2.931 165 HG2 ARG 22 2HG ARG 22 -26.050 2.265 -5.576 166 HG3 ARG 22 3HG ARG 22 -25.120 1.372 -4.370 167 HD2 ARG 22 2HD ARG 22 -26.726 -0.182 -4.101 168 HD3 ARG 22 3HD ARG 22 -28.028 1.002 -4.211 169 HE ARG 22 HE ARG 22 -26.908 0.690 -6.753 170 HH11 ARG 22 1HH1 ARG 22 -28.744 -1.135 -4.426 171 HH12 ARG 22 2HH1 ARG 22 -29.528 -2.116 -5.620 172 HH21 ARG 22 1HH2 ARG 22 -27.934 -0.594 -8.334 173 HH22 ARG 22 2HH2 ARG 22 -29.066 -1.808 -7.842 174 H ARG 23 H ARG 23 -25.900 5.587 -2.355 175 HA ARG 23 HA ARG 23 -27.980 5.808 -0.508 176 HB2 ARG 23 2HB ARG 23 -25.908 6.400 0.348 177 HB3 ARG 23 3HB ARG 23 -25.497 7.385 -1.050 178 HG2 ARG 23 2HG ARG 23 -25.859 8.790 0.873 179 HG3 ARG 23 3HG ARG 23 -27.128 9.071 -0.320 180 HD2 ARG 23 2HD ARG 23 -28.202 7.076 1.212 181 HD3 ARG 23 3HD ARG 23 -27.299 8.013 2.402 182 HE ARG 23 HE ARG 23 -28.889 9.671 0.710 183 HH11 ARG 23 1HH1 ARG 23 -28.992 7.584 3.494 184 HH12 ARG 23 2HH1 ARG 23 -30.378 8.360 4.187 185 HH21 ARG 23 1HH2 ARG 23 -30.714 10.701 1.611 186 HH22 ARG 23 2HH2 ARG 23 -31.357 10.132 3.114 187 H PHE 24 H PHE 24 -27.360 7.541 -3.453 188 HA PHE 24 HA PHE 24 -29.204 9.680 -2.855 189 HB2 PHE 24 2HB PHE 24 -27.153 9.902 -4.334 190 HB3 PHE 24 3HB PHE 24 -28.036 8.985 -5.550 191 HD1 PHE 24 HD1 PHE 24 -30.310 9.921 -6.292 192 HD2 PHE 24 HD2 PHE 24 -27.381 12.202 -4.210 193 HE1 PHE 24 HE1 PHE 24 -31.362 11.996 -7.093 194 HE2 PHE 24 HE2 PHE 24 -28.429 14.281 -5.007 195 HZ PHE 24 HZ PHE 24 -30.422 14.180 -6.450 196 H THR 25 H THR 25 -29.179 6.736 -4.799 197 HA THR 25 HA THR 25 -31.877 7.209 -5.758 198 HB THR 25 HB THR 25 -30.019 6.084 -7.118 199 HG1 THR 25 HG1 THR 25 -32.679 5.232 -6.830 200 HG21 THR 25 3HG2 THR 25 -29.566 4.486 -5.113 201 HG22 THR 25 1HG2 THR 25 -29.474 3.859 -6.758 202 HG23 THR 25 2HG2 THR 25 -30.910 3.559 -5.779 Start of MODEL 7 1 H1 GLN 1 H GLN 1 4.383 -0.549 -1.463 2 HA GLN 1 HA GLN 1 2.238 -1.031 -2.112 3 HB2 GLN 1 2HB GLN 1 2.216 -0.362 0.406 4 HB3 GLN 1 3HB GLN 1 1.368 1.072 -0.158 5 HG2 GLN 1 2HG GLN 1 -0.519 -0.069 -0.666 6 HG3 GLN 1 3HG GLN 1 0.351 -1.540 -1.095 7 HE21 GLN 1 1HE2 GLN 1 -1.988 -0.983 0.685 8 HE22 GLN 1 2HE2 GLN 1 -1.577 -1.721 2.192 9 H ARG 2 H ARG 2 3.582 1.684 -3.090 10 HA ARG 2 HA ARG 2 1.306 3.243 -3.878 11 HB2 ARG 2 2HB ARG 2 4.062 3.429 -5.077 12 HB3 ARG 2 3HB ARG 2 2.848 4.694 -4.934 13 HG2 ARG 2 2HG ARG 2 3.383 5.160 -2.783 14 HG3 ARG 2 3HG ARG 2 3.835 3.494 -2.418 15 HD2 ARG 2 2HD ARG 2 5.859 3.865 -3.893 16 HD3 ARG 2 3HD ARG 2 5.441 5.578 -3.877 17 HE ARG 2 HE ARG 2 5.632 4.450 -1.251 18 HH11 ARG 2 1HH1 ARG 2 7.445 5.816 -3.891 19 HH12 ARG 2 2HH1 ARG 2 8.758 6.340 -2.889 20 HH21 ARG 2 1HH2 ARG 2 7.354 5.135 0.078 21 HH22 ARG 2 2HH2 ARG 2 8.705 5.952 -0.632 22 H SER 3 H SER 3 3.476 0.945 -5.467 23 HA SER 3 HA SER 3 2.529 1.230 -8.081 24 HB2 SER 3 2HB SER 3 3.606 -1.269 -6.751 25 HB3 SER 3 3HB SER 3 3.488 -0.996 -8.489 26 HG SER 3 HG SER 3 4.974 0.692 -8.276 27 H ASN 4 H ASN 4 1.380 -0.781 -5.417 28 HA ASN 4 HA ASN 4 -0.658 -2.036 -7.027 29 HB2 ASN 4 2HB ASN 4 -0.188 -2.070 -4.037 30 HB3 ASN 4 3HB ASN 4 -1.373 -3.060 -4.884 31 HD21 ASN 4 1HD2 ASN 4 -0.191 -4.087 -6.961 32 HD22 ASN 4 2HD2 ASN 4 1.222 -4.988 -6.542 33 H PHE 5 H PHE 5 -0.347 0.841 -5.210 34 HA PHE 5 HA PHE 5 -3.032 1.220 -4.419 35 HB2 PHE 5 2HB PHE 5 -1.063 2.501 -3.543 36 HB3 PHE 5 3HB PHE 5 -1.006 3.366 -5.076 37 HD1 PHE 5 HD2 PHE 5 -3.907 2.371 -2.967 38 HD2 PHE 5 HD1 PHE 5 -1.603 5.547 -4.618 39 HE1 PHE 5 HE2 PHE 5 -5.539 3.998 -2.105 40 HE2 PHE 5 HE1 PHE 5 -3.231 7.180 -3.757 41 HZ PHE 5 HZ PHE 5 -5.202 6.406 -2.500 42 H HIS 6 H HIS 6 -1.261 2.035 -7.356 43 HA HIS 6 HA HIS 6 -3.159 3.661 -8.591 44 HB2 HIS 6 2HB HIS 6 -0.873 2.009 -9.493 45 HB3 HIS 6 3HB HIS 6 -2.061 2.422 -10.726 46 HD1 HIS 6 HD1 HIS 6 0.543 3.931 -8.515 47 HD2 HIS 6 HD2 HIS 6 -2.146 5.128 -11.447 48 HE1 HIS 6 HE1 HIS 6 1.224 6.271 -9.137 49 HA PRO 7 HA PRO 7 -4.989 -0.316 -10.646 50 HB2 PRO 7 2HB PRO 7 -4.231 -2.706 -9.604 51 HB3 PRO 7 3HB PRO 7 -3.362 -1.914 -10.924 52 HG2 PRO 7 2HG PRO 7 -2.726 -1.964 -7.999 53 HG3 PRO 7 3HG PRO 7 -1.635 -2.148 -9.384 54 HD2 PRO 7 2HD PRO 7 -1.880 0.179 -8.022 55 HD3 PRO 7 3HD PRO 7 -1.526 0.124 -9.760 56 H LEU 8 H LEU 8 -4.402 -0.164 -7.210 57 HA LEU 8 HA LEU 8 -6.792 -1.619 -6.506 58 HB2 LEU 8 2HB LEU 8 -4.937 -1.787 -5.019 59 HB3 LEU 8 3HB LEU 8 -4.799 -0.034 -4.902 60 HG LEU 8 HG LEU 8 -7.323 -1.298 -3.967 61 HD11 LEU 8 1HD1 LEU 8 -5.631 -1.190 -1.737 62 HD12 LEU 8 2HD1 LEU 8 -4.741 -2.068 -2.981 63 HD13 LEU 8 3HD1 LEU 8 -6.340 -2.622 -2.484 64 HD21 LEU 8 3HD2 LEU 8 -5.708 1.140 -3.442 65 HD22 LEU 8 1HD2 LEU 8 -6.708 0.506 -2.134 66 HD23 LEU 8 2HD2 LEU 8 -7.448 0.959 -3.670 67 H ALA 9 H ALA 9 -5.913 1.651 -7.161 68 HA ALA 9 HA ALA 9 -7.864 3.038 -5.715 69 HB1 ALA 9 1HB ALA 9 -7.578 4.808 -7.459 70 HB2 ALA 9 2HB ALA 9 -6.074 4.244 -6.730 71 HB3 ALA 9 3HB ALA 9 -6.536 3.690 -8.339 72 H ALA 10 H ALA 10 -7.992 1.552 -8.926 73 HA ALA 10 HA ALA 10 -10.540 2.488 -9.660 74 HB1 ALA 10 1HB ALA 10 -8.970 0.067 -10.511 75 HB2 ALA 10 2HB ALA 10 -10.524 0.505 -11.221 76 HB3 ALA 10 3HB ALA 10 -9.151 1.603 -11.359 77 H SER 11 H SER 11 -9.518 -0.479 -8.007 78 HA SER 11 HA SER 11 -12.063 -1.674 -7.862 79 HB2 SER 11 2HB SER 11 -9.628 -2.005 -6.095 80 HB3 SER 11 3HB SER 11 -11.058 -3.033 -6.011 81 HG SER 11 HG SER 11 -9.017 -3.407 -7.541 82 H PHE 12 H PHE 12 -10.301 0.392 -5.579 83 HA PHE 12 HA PHE 12 -12.343 0.352 -3.596 84 HB2 PHE 12 2HB PHE 12 -9.873 1.989 -4.055 85 HB3 PHE 12 3HB PHE 12 -11.031 2.481 -2.824 86 HD1 PHE 12 HD2 PHE 12 -9.624 -0.804 -3.904 87 HD2 PHE 12 HD1 PHE 12 -10.296 1.945 -0.725 88 HE1 PHE 12 HE2 PHE 12 -8.608 -2.391 -2.322 89 HE2 PHE 12 HE1 PHE 12 -9.281 0.363 0.863 90 HZ PHE 12 HZ PHE 12 -8.436 -1.809 0.065 91 H ILE 13 H ILE 13 -11.751 2.244 -6.441 92 HA ILE 13 HA ILE 13 -13.488 4.413 -5.732 93 HB ILE 13 HB ILE 13 -12.077 3.588 -8.237 94 HG12 ILE 13 2HG1 ILE 13 -10.918 4.926 -6.506 95 HG13 ILE 13 3HG1 ILE 13 -11.073 5.797 -8.028 96 HG21 ILE 13 1HG2 ILE 13 -14.337 5.559 -8.036 97 HG22 ILE 13 2HG2 ILE 13 -13.127 5.627 -9.317 98 HG23 ILE 13 3HG2 ILE 13 -14.159 4.206 -9.154 99 HD11 ILE 13 3HD1 ILE 13 -13.298 6.303 -6.244 100 HD12 ILE 13 1HD1 ILE 13 -11.745 6.730 -5.528 101 HD13 ILE 13 2HD1 ILE 13 -12.227 7.433 -7.072 102 H VAL 14 H VAL 14 -13.777 1.479 -7.682 103 HA VAL 14 HA VAL 14 -16.407 2.035 -8.623 104 HB VAL 14 HB VAL 14 -14.964 -0.612 -8.421 105 HG11 VAL 14 1HG1 VAL 14 -17.153 -1.256 -8.718 106 HG12 VAL 14 2HG1 VAL 14 -17.573 0.202 -9.619 107 HG13 VAL 14 3HG1 VAL 14 -16.624 -1.070 -10.390 108 HG21 VAL 14 3HG2 VAL 14 -15.239 0.432 -11.078 109 HG22 VAL 14 1HG2 VAL 14 -14.443 1.619 -10.044 110 HG23 VAL 14 2HG2 VAL 14 -13.775 -0.006 -10.198 111 H ARG 15 H ARG 15 -15.138 0.799 -5.679 112 HA ARG 15 HA ARG 15 -17.546 -0.573 -4.881 113 HB2 ARG 15 2HB ARG 15 -16.221 -1.498 -3.337 114 HB3 ARG 15 3HB ARG 15 -14.883 -0.615 -4.061 115 HG2 ARG 15 2HG ARG 15 -15.257 1.236 -2.519 116 HG3 ARG 15 3HG ARG 15 -16.613 0.365 -1.800 117 HD2 ARG 15 2HD ARG 15 -13.875 -0.849 -1.926 118 HD3 ARG 15 3HD ARG 15 -14.322 0.259 -0.630 119 HE ARG 15 HE ARG 15 -16.322 -1.601 -0.668 120 HH11 ARG 15 1HH1 ARG 15 -12.857 -1.710 -0.358 121 HH12 ARG 15 2HH1 ARG 15 -12.859 -3.136 0.625 122 HH21 ARG 15 1HH2 ARG 15 -16.338 -3.479 0.626 123 HH22 ARG 15 2HH2 ARG 15 -14.840 -4.142 1.184 124 H CYS 16 H CYS 16 -15.993 2.527 -4.228 125 HA CYS 16 HA CYS 16 -18.063 3.311 -2.359 126 HB2 CYS 16 2HB CYS 16 -15.743 4.878 -3.506 127 HB3 CYS 16 3HB CYS 16 -16.808 5.434 -2.221 128 HG CYS 16 HG CYS 16 -15.252 4.578 -0.378 129 H ALA 17 H ALA 17 -17.147 3.933 -5.689 130 HA ALA 17 HA ALA 17 -18.831 6.128 -6.181 131 HB1 ALA 17 1HB ALA 17 -18.523 5.639 -8.528 132 HB2 ALA 17 2HB ALA 17 -16.996 5.425 -7.671 133 HB3 ALA 17 3HB ALA 17 -17.946 4.017 -8.144 134 H PHE 18 H PHE 18 -19.393 2.650 -6.331 135 HA PHE 18 HA PHE 18 -22.002 2.866 -7.474 136 HB2 PHE 18 2HB PHE 18 -20.381 0.835 -7.461 137 HB3 PHE 18 3HB PHE 18 -21.070 0.499 -5.876 138 HD1 PHE 18 HD2 PHE 18 -21.837 0.824 -9.467 139 HD2 PHE 18 HD1 PHE 18 -23.227 -0.443 -5.648 140 HE1 PHE 18 HE2 PHE 18 -23.731 -0.323 -10.540 141 HE2 PHE 18 HE1 PHE 18 -25.122 -1.592 -6.716 142 HZ PHE 18 HZ PHE 18 -25.377 -1.532 -9.164 143 H GLU 19 H GLU 19 -20.724 2.574 -4.203 144 HA GLU 19 HA GLU 19 -23.323 2.339 -2.995 145 HB2 GLU 19 2HB GLU 19 -21.604 1.297 -1.776 146 HB3 GLU 19 3HB GLU 19 -20.533 2.683 -1.930 147 HG2 GLU 19 2HG GLU 19 -21.441 3.759 -0.170 148 HG3 GLU 19 3HG GLU 19 -23.063 3.150 -0.492 149 H HIS 20 H HIS 20 -21.165 4.913 -3.859 150 HA HIS 20 HA HIS 20 -22.269 6.908 -2.156 151 HB2 HIS 20 2HB HIS 20 -20.015 7.075 -3.183 152 HB3 HIS 20 3HB HIS 20 -20.773 7.263 -4.762 153 HD1 HIS 20 HD1 HIS 20 -22.525 9.433 -4.810 154 HD2 HIS 20 HD2 HIS 20 -19.457 9.439 -2.008 155 HE1 HIS 20 HE1 HIS 20 -22.262 11.833 -4.106 156 H SER 21 H SER 21 -22.971 5.790 -5.414 157 HA SER 21 HA SER 21 -24.897 7.893 -5.892 158 HB2 SER 21 2HB SER 21 -24.362 5.395 -7.516 159 HB3 SER 21 3HB SER 21 -25.253 6.822 -8.045 160 HG SER 21 HG SER 21 -22.598 7.063 -7.146 161 H ARG 22 H ARG 22 -24.895 4.514 -4.950 162 HA ARG 22 HA ARG 22 -27.580 3.893 -5.329 163 HB2 ARG 22 2HB ARG 22 -25.530 2.454 -4.504 164 HB3 ARG 22 3HB ARG 22 -26.149 2.872 -2.912 165 HG2 ARG 22 2HG ARG 22 -28.350 1.939 -3.586 166 HG3 ARG 22 3HG ARG 22 -27.608 1.404 -5.096 167 HD2 ARG 22 2HD ARG 22 -27.184 -0.492 -3.977 168 HD3 ARG 22 3HD ARG 22 -25.865 0.423 -3.248 169 HE ARG 22 HE ARG 22 -28.186 0.864 -1.747 170 HH11 ARG 22 1HH1 ARG 22 -25.959 -1.703 -2.506 171 HH12 ARG 22 2HH1 ARG 22 -26.205 -2.535 -1.006 172 HH21 ARG 22 1HH2 ARG 22 -28.518 -0.223 0.230 173 HH22 ARG 22 2HH2 ARG 22 -27.661 -1.693 0.549 174 H ARG 23 H ARG 23 -25.978 5.459 -2.591 175 HA ARG 23 HA ARG 23 -28.139 5.541 -0.829 176 HB2 ARG 23 2HB ARG 23 -26.128 6.148 0.147 177 HB3 ARG 23 3HB ARG 23 -25.676 7.198 -1.189 178 HG2 ARG 23 2HG ARG 23 -26.158 8.514 0.772 179 HG3 ARG 23 3HG ARG 23 -27.378 8.817 -0.467 180 HD2 ARG 23 2HD ARG 23 -28.474 6.737 0.931 181 HD3 ARG 23 3HD ARG 23 -27.648 7.642 2.199 182 HE ARG 23 HE ARG 23 -30.034 8.391 0.866 183 HH11 ARG 23 1HH1 ARG 23 -27.101 9.701 2.209 184 HH12 ARG 23 2HH1 ARG 23 -27.794 11.252 2.547 185 HH21 ARG 23 1HH2 ARG 23 -30.959 10.429 1.308 186 HH22 ARG 23 2HH2 ARG 23 -29.989 11.665 2.035 187 H PHE 24 H PHE 24 -27.430 7.447 -3.649 188 HA PHE 24 HA PHE 24 -29.374 9.491 -3.033 189 HB2 PHE 24 2HB PHE 24 -27.258 9.861 -4.385 190 HB3 PHE 24 3HB PHE 24 -28.045 8.988 -5.696 191 HD1 PHE 24 HD1 PHE 24 -30.012 9.938 -6.813 192 HD2 PHE 24 HD2 PHE 24 -27.867 12.099 -3.838 193 HE1 PHE 24 HE1 PHE 24 -31.090 12.022 -7.554 194 HE2 PHE 24 HE2 PHE 24 -28.942 14.186 -4.574 195 HZ PHE 24 HZ PHE 24 -30.556 14.149 -6.433 196 H THR 25 H THR 25 -29.149 6.666 -5.133 197 HA THR 25 HA THR 25 -31.806 7.109 -6.209 198 HB THR 25 HB THR 25 -29.848 6.120 -7.528 199 HG1 THR 25 HG1 THR 25 -31.885 6.009 -8.419 200 HG21 THR 25 3HG2 THR 25 -30.619 3.421 -6.690 201 HG22 THR 25 1HG2 THR 25 -29.736 4.328 -5.462 202 HG23 THR 25 2HG2 THR 25 -29.026 4.080 -7.058 Start of MODEL 8 1 H1 GLN 1 H GLN 1 2.055 0.209 0.747 2 HA GLN 1 HA GLN 1 3.309 0.535 -1.165 3 HB2 GLN 1 2HB GLN 1 1.723 -1.812 -1.229 4 HB3 GLN 1 3HB GLN 1 1.762 -1.173 -2.867 5 HG2 GLN 1 2HG GLN 1 4.077 -1.999 -1.145 6 HG3 GLN 1 3HG GLN 1 3.562 -2.682 -2.686 7 HE21 GLN 1 1HE2 GLN 1 4.056 -1.612 -4.590 8 HE22 GLN 1 2HE2 GLN 1 5.227 -0.344 -4.661 9 H ARG 2 H ARG 2 3.502 1.927 -2.811 10 HA ARG 2 HA ARG 2 1.207 3.439 -3.635 11 HB2 ARG 2 2HB ARG 2 3.955 3.613 -4.855 12 HB3 ARG 2 3HB ARG 2 2.730 4.870 -4.746 13 HG2 ARG 2 2HG ARG 2 3.272 5.410 -2.614 14 HG3 ARG 2 3HG ARG 2 3.744 3.761 -2.199 15 HD2 ARG 2 2HD ARG 2 5.754 4.109 -3.703 16 HD3 ARG 2 3HD ARG 2 5.318 5.817 -3.730 17 HE ARG 2 HE ARG 2 5.488 4.876 -1.066 18 HH11 ARG 2 1HH1 ARG 2 7.458 5.767 -3.794 19 HH12 ARG 2 2HH1 ARG 2 8.818 6.231 -2.826 20 HH21 ARG 2 1HH2 ARG 2 7.272 5.484 0.219 21 HH22 ARG 2 2HH2 ARG 2 8.712 6.068 -0.543 22 H SER 3 H SER 3 3.392 1.112 -5.160 23 HA SER 3 HA SER 3 2.430 1.300 -7.776 24 HB2 SER 3 2HB SER 3 4.497 0.060 -6.981 25 HB3 SER 3 3HB SER 3 3.421 -1.248 -6.488 26 HG SER 3 HG SER 3 4.395 -0.730 -8.912 27 H ASN 4 H ASN 4 1.311 -0.631 -5.041 28 HA ASN 4 HA ASN 4 -0.722 -1.957 -6.598 29 HB2 ASN 4 2HB ASN 4 -0.239 -1.886 -3.611 30 HB3 ASN 4 3HB ASN 4 -1.418 -2.916 -4.419 31 HD21 ASN 4 1HD2 ASN 4 -0.438 -4.253 -6.245 32 HD22 ASN 4 2HD2 ASN 4 1.064 -5.029 -5.888 33 H PHE 5 H PHE 5 -0.430 0.982 -4.881 34 HA PHE 5 HA PHE 5 -3.114 1.363 -4.089 35 HB2 PHE 5 2HB PHE 5 -1.150 2.692 -3.271 36 HB3 PHE 5 3HB PHE 5 -1.115 3.506 -4.831 37 HD1 PHE 5 HD1 PHE 5 -2.976 3.077 -1.703 38 HD2 PHE 5 HD2 PHE 5 -2.745 5.167 -5.404 39 HE1 PHE 5 HE1 PHE 5 -4.618 4.714 -0.878 40 HE2 PHE 5 HE2 PHE 5 -4.385 6.807 -4.584 41 HZ PHE 5 HZ PHE 5 -5.323 6.582 -2.318 42 H HIS 6 H HIS 6 -1.366 2.094 -7.062 43 HA HIS 6 HA HIS 6 -3.286 3.658 -8.341 44 HB2 HIS 6 2HB HIS 6 -0.988 2.000 -9.199 45 HB3 HIS 6 3HB HIS 6 -2.186 2.359 -10.439 46 HD1 HIS 6 HD1 HIS 6 -0.021 4.220 -7.932 47 HD2 HIS 6 HD2 HIS 6 -1.864 4.784 -11.613 48 HE1 HIS 6 HE1 HIS 6 0.745 6.479 -8.728 49 HA PRO 7 HA PRO 7 -5.086 -0.404 -10.251 50 HB2 PRO 7 2HB PRO 7 -4.298 -2.750 -9.133 51 HB3 PRO 7 3HB PRO 7 -3.443 -1.994 -10.483 52 HG2 PRO 7 2HG PRO 7 -2.794 -1.939 -7.561 53 HG3 PRO 7 3HG PRO 7 -1.707 -2.158 -8.945 54 HD2 PRO 7 2HD PRO 7 -1.969 0.211 -7.661 55 HD3 PRO 7 3HD PRO 7 -1.623 0.100 -9.399 56 H LEU 8 H LEU 8 -4.485 -0.126 -6.826 57 HA LEU 8 HA LEU 8 -6.853 -1.583 -6.058 58 HB2 LEU 8 2HB LEU 8 -4.859 -1.575 -4.642 59 HB3 LEU 8 3HB LEU 8 -5.008 0.169 -4.441 60 HG LEU 8 HG LEU 8 -5.796 -1.388 -2.540 61 HD11 LEU 8 1HD1 LEU 8 -6.435 1.166 -3.280 62 HD12 LEU 8 2HD1 LEU 8 -6.876 0.402 -1.753 63 HD13 LEU 8 3HD1 LEU 8 -8.022 0.418 -3.094 64 HD21 LEU 8 3HD2 LEU 8 -7.745 -2.536 -2.729 65 HD22 LEU 8 1HD2 LEU 8 -7.234 -2.620 -4.415 66 HD23 LEU 8 2HD2 LEU 8 -8.421 -1.416 -3.913 67 H ALA 9 H ALA 9 -6.008 1.681 -6.807 68 HA ALA 9 HA ALA 9 -7.997 3.074 -5.415 69 HB1 ALA 9 1HB ALA 9 -6.642 3.695 -8.033 70 HB2 ALA 9 2HB ALA 9 -7.697 4.819 -7.174 71 HB3 ALA 9 3HB ALA 9 -6.195 4.273 -6.428 72 H ALA 10 H ALA 10 -8.051 1.515 -8.591 73 HA ALA 10 HA ALA 10 -10.596 2.407 -9.391 74 HB1 ALA 10 1HB ALA 10 -10.531 0.400 -10.913 75 HB2 ALA 10 2HB ALA 10 -9.160 1.503 -11.044 76 HB3 ALA 10 3HB ALA 10 -8.990 -0.016 -10.164 77 H SER 11 H SER 11 -9.568 -0.510 -7.656 78 HA SER 11 HA SER 11 -12.096 -1.740 -7.533 79 HB2 SER 11 2HB SER 11 -9.698 -1.984 -5.704 80 HB3 SER 11 3HB SER 11 -11.112 -3.034 -5.625 81 HG SER 11 HG SER 11 -10.499 -4.018 -7.406 82 H PHE 12 H PHE 12 -10.418 0.404 -5.258 83 HA PHE 12 HA PHE 12 -12.511 0.385 -3.327 84 HB2 PHE 12 2HB PHE 12 -10.002 1.942 -3.746 85 HB3 PHE 12 3HB PHE 12 -11.215 2.607 -2.655 86 HD1 PHE 12 HD2 PHE 12 -10.526 -0.985 -3.142 87 HD2 PHE 12 HD1 PHE 12 -10.028 2.412 -0.626 88 HE1 PHE 12 HE2 PHE 12 -9.700 -2.444 -1.341 89 HE2 PHE 12 HE1 PHE 12 -9.200 0.959 1.179 90 HZ PHE 12 HZ PHE 12 -9.036 -1.473 0.823 91 H ILE 13 H ILE 13 -11.863 2.222 -6.197 92 HA ILE 13 HA ILE 13 -13.639 4.386 -5.585 93 HB ILE 13 HB ILE 13 -12.160 3.513 -8.034 94 HG12 ILE 13 2HG1 ILE 13 -11.063 4.913 -6.311 95 HG13 ILE 13 3HG1 ILE 13 -11.187 5.738 -7.860 96 HG21 ILE 13 1HG2 ILE 13 -14.449 5.459 -7.942 97 HG22 ILE 13 2HG2 ILE 13 -13.209 5.509 -9.194 98 HG23 ILE 13 3HG2 ILE 13 -14.226 4.079 -9.018 99 HD11 ILE 13 3HD1 ILE 13 -13.462 6.265 -6.144 100 HD12 ILE 13 1HD1 ILE 13 -11.931 6.739 -5.410 101 HD13 ILE 13 2HD1 ILE 13 -12.391 7.384 -6.986 102 H VAL 14 H VAL 14 -13.856 1.402 -7.467 103 HA VAL 14 HA VAL 14 -16.469 1.908 -8.481 104 HB VAL 14 HB VAL 14 -15.008 -0.720 -8.177 105 HG11 VAL 14 1HG1 VAL 14 -16.650 -1.138 -10.234 106 HG12 VAL 14 2HG1 VAL 14 -17.115 -1.476 -8.565 107 HG13 VAL 14 3HG1 VAL 14 -17.630 0.023 -9.339 108 HG21 VAL 14 3HG2 VAL 14 -14.355 1.433 -9.777 109 HG22 VAL 14 1HG2 VAL 14 -13.851 -0.239 -10.024 110 HG23 VAL 14 2HG2 VAL 14 -15.277 0.384 -10.854 111 H ARG 15 H ARG 15 -15.257 0.760 -5.478 112 HA ARG 15 HA ARG 15 -17.671 -0.614 -4.701 113 HB2 ARG 15 2HB ARG 15 -16.374 -1.486 -3.103 114 HB3 ARG 15 3HB ARG 15 -15.028 -0.610 -3.819 115 HG2 ARG 15 2HG ARG 15 -15.453 1.276 -2.334 116 HG3 ARG 15 3HG ARG 15 -16.819 0.412 -1.625 117 HD2 ARG 15 2HD ARG 15 -14.162 -0.926 -1.665 118 HD3 ARG 15 3HD ARG 15 -14.424 0.378 -0.508 119 HE ARG 15 HE ARG 15 -15.505 -2.264 -0.394 120 HH11 ARG 15 1HH1 ARG 15 -16.086 1.058 0.471 121 HH12 ARG 15 2HH1 ARG 15 -17.122 0.666 1.803 122 HH21 ARG 15 1HH2 ARG 15 -16.867 -2.793 1.357 123 HH22 ARG 15 2HH2 ARG 15 -17.565 -1.525 2.307 124 H CYS 16 H CYS 16 -16.161 2.515 -4.091 125 HA CYS 16 HA CYS 16 -18.280 3.328 -2.290 126 HB2 CYS 16 2HB CYS 16 -15.949 4.888 -3.425 127 HB3 CYS 16 3HB CYS 16 -17.047 5.465 -2.177 128 HG CYS 16 HG CYS 16 -14.459 3.337 -1.936 129 H ALA 17 H ALA 17 -17.290 3.876 -5.613 130 HA ALA 17 HA ALA 17 -18.977 6.043 -6.203 131 HB1 ALA 17 1HB ALA 17 -17.110 5.312 -7.635 132 HB2 ALA 17 2HB ALA 17 -18.039 3.880 -8.084 133 HB3 ALA 17 3HB ALA 17 -18.620 5.485 -8.530 134 H PHE 18 H PHE 18 -19.519 2.558 -6.275 135 HA PHE 18 HA PHE 18 -22.113 2.741 -7.464 136 HB2 PHE 18 2HB PHE 18 -20.471 0.719 -7.386 137 HB3 PHE 18 3HB PHE 18 -21.204 0.401 -5.817 138 HD1 PHE 18 HD2 PHE 18 -22.418 1.349 -9.221 139 HD2 PHE 18 HD1 PHE 18 -22.814 -1.218 -5.850 140 HE1 PHE 18 HE2 PHE 18 -24.277 0.182 -10.333 141 HE2 PHE 18 HE1 PHE 18 -24.674 -2.390 -6.956 142 HZ PHE 18 HZ PHE 18 -25.408 -1.690 -9.200 143 H GLU 19 H GLU 19 -20.880 2.481 -4.170 144 HA GLU 19 HA GLU 19 -23.483 2.241 -2.987 145 HB2 GLU 19 2HB GLU 19 -21.760 1.267 -1.724 146 HB3 GLU 19 3HB GLU 19 -20.714 2.668 -1.904 147 HG2 GLU 19 2HG GLU 19 -21.657 3.771 -0.179 148 HG3 GLU 19 3HG GLU 19 -23.265 3.125 -0.502 149 H HIS 20 H HIS 20 -21.365 4.843 -3.877 150 HA HIS 20 HA HIS 20 -22.551 6.848 -2.238 151 HB2 HIS 20 2HB HIS 20 -20.272 7.032 -3.218 152 HB3 HIS 20 3HB HIS 20 -21.001 7.193 -4.813 153 HD1 HIS 20 HD1 HIS 20 -20.574 9.041 -1.570 154 HD2 HIS 20 HD2 HIS 20 -21.995 9.710 -5.416 155 HE1 HIS 20 HE1 HIS 20 -20.925 11.526 -1.734 156 H SER 21 H SER 21 -23.162 5.627 -5.472 157 HA SER 21 HA SER 21 -25.089 7.692 -6.078 158 HB2 SER 21 2HB SER 21 -24.525 5.120 -7.572 159 HB3 SER 21 3HB SER 21 -25.402 6.522 -8.184 160 HG SER 21 HG SER 21 -22.789 6.864 -7.232 161 H ARG 22 H ARG 22 -25.105 4.343 -5.014 162 HA ARG 22 HA ARG 22 -27.803 3.746 -5.392 163 HB2 ARG 22 2HB ARG 22 -25.795 2.782 -3.363 164 HB3 ARG 22 3HB ARG 22 -27.436 2.155 -3.425 165 HG2 ARG 22 2HG ARG 22 -26.151 2.123 -6.025 166 HG3 ARG 22 3HG ARG 22 -25.260 1.195 -4.816 167 HD2 ARG 22 2HD ARG 22 -28.186 0.890 -5.483 168 HD3 ARG 22 3HD ARG 22 -26.893 -0.196 -5.990 169 HE ARG 22 HE ARG 22 -26.667 -0.183 -3.295 170 HH11 ARG 22 1HH1 ARG 22 -29.329 -0.736 -5.471 171 HH12 ARG 22 2HH1 ARG 22 -30.146 -1.827 -4.401 172 HH21 ARG 22 1HH2 ARG 22 -27.734 -1.618 -1.879 173 HH22 ARG 22 2HH2 ARG 22 -29.239 -2.327 -2.358 174 H ARG 23 H ARG 23 -26.167 5.326 -2.682 175 HA ARG 23 HA ARG 23 -28.320 5.458 -0.912 176 HB2 ARG 23 2HB ARG 23 -26.298 6.046 0.052 177 HB3 ARG 23 3HB ARG 23 -25.834 7.072 -1.299 178 HG2 ARG 23 2HG ARG 23 -26.986 8.876 -0.511 179 HG3 ARG 23 3HG ARG 23 -28.173 7.884 0.340 180 HD2 ARG 23 2HD ARG 23 -27.019 8.043 2.232 181 HD3 ARG 23 3HD ARG 23 -25.564 7.437 1.440 182 HE ARG 23 HE ARG 23 -26.054 10.194 0.867 183 HH11 ARG 23 1HH1 ARG 23 -24.737 7.994 3.222 184 HH12 ARG 23 2HH1 ARG 23 -23.654 9.164 3.901 185 HH21 ARG 23 1HH2 ARG 23 -24.633 11.743 1.753 186 HH22 ARG 23 2HH2 ARG 23 -23.597 11.296 3.066 187 H PHE 24 H PHE 24 -27.608 7.304 -3.766 188 HA PHE 24 HA PHE 24 -29.504 9.397 -3.165 189 HB2 PHE 24 2HB PHE 24 -27.399 9.699 -4.552 190 HB3 PHE 24 3HB PHE 24 -28.220 8.815 -5.834 191 HD1 PHE 24 HD2 PHE 24 -30.460 9.749 -6.653 192 HD2 PHE 24 HD1 PHE 24 -27.682 11.989 -4.334 193 HE1 PHE 24 HE2 PHE 24 -31.508 11.838 -7.421 194 HE2 PHE 24 HE1 PHE 24 -28.726 14.082 -5.097 195 HZ PHE 24 HZ PHE 24 -30.641 14.008 -6.644 196 H THR 25 H THR 25 -29.361 6.528 -5.213 197 HA THR 25 HA THR 25 -32.027 7.001 -6.259 198 HB THR 25 HB THR 25 -30.101 5.954 -7.586 199 HG1 THR 25 HG1 THR 25 -31.933 5.719 -8.666 200 HG21 THR 25 3HG2 THR 25 -31.006 3.366 -6.386 201 HG22 THR 25 1HG2 THR 25 -29.710 4.284 -5.621 202 HG23 THR 25 2HG2 THR 25 -29.533 3.727 -7.286 Start of MODEL 9 1 H1 GLN 1 H GLN 1 4.238 -0.529 -0.882 2 HA GLN 1 HA GLN 1 2.159 -1.057 -1.862 3 HB2 GLN 1 2HB GLN 1 2.107 -0.315 0.645 4 HB3 GLN 1 3HB GLN 1 1.240 1.082 0.022 5 HG2 GLN 1 2HG GLN 1 -0.639 -0.074 -0.022 6 HG3 GLN 1 3HG GLN 1 0.091 -1.260 -1.103 7 HE21 GLN 1 1HE2 GLN 1 -1.551 -1.016 1.642 8 HE22 GLN 1 2HE2 GLN 1 -0.937 -2.376 2.512 9 H ARG 2 H ARG 2 3.527 1.635 -2.869 10 HA ARG 2 HA ARG 2 1.275 3.190 -3.721 11 HB2 ARG 2 2HB ARG 2 4.044 3.327 -4.895 12 HB3 ARG 2 3HB ARG 2 2.841 4.605 -4.790 13 HG2 ARG 2 2HG ARG 2 3.380 5.129 -2.660 14 HG3 ARG 2 3HG ARG 2 3.766 3.461 -2.232 15 HD2 ARG 2 2HD ARG 2 5.913 4.037 -2.361 16 HD3 ARG 2 3HD ARG 2 5.690 4.150 -4.106 17 HE ARG 2 HE ARG 2 5.942 6.334 -2.236 18 HH11 ARG 2 1HH1 ARG 2 4.897 5.337 -5.403 19 HH12 ARG 2 2HH1 ARG 2 5.002 6.927 -6.082 20 HH21 ARG 2 1HH2 ARG 2 6.084 8.433 -3.117 21 HH22 ARG 2 2HH2 ARG 2 5.678 8.688 -4.781 22 H SER 3 H SER 3 3.443 0.841 -5.237 23 HA SER 3 HA SER 3 2.525 1.076 -7.866 24 HB2 SER 3 2HB SER 3 3.569 -1.401 -6.472 25 HB3 SER 3 3HB SER 3 3.471 -1.165 -8.216 26 HG SER 3 HG SER 3 4.790 0.869 -7.526 27 H ASN 4 H ASN 4 1.333 -0.868 -5.172 28 HA ASN 4 HA ASN 4 -0.697 -2.141 -6.776 29 HB2 ASN 4 2HB ASN 4 -0.258 -2.116 -3.781 30 HB3 ASN 4 3HB ASN 4 -1.442 -3.115 -4.619 31 HD21 ASN 4 1HD2 ASN 4 -0.077 -4.703 -3.333 32 HD22 ASN 4 2HD2 ASN 4 1.260 -5.408 -4.170 33 H PHE 5 H PHE 5 -0.383 0.771 -5.016 34 HA PHE 5 HA PHE 5 -3.072 1.186 -4.261 35 HB2 PHE 5 2HB PHE 5 -1.102 2.471 -3.393 36 HB3 PHE 5 3HB PHE 5 -1.024 3.303 -4.942 37 HD1 PHE 5 HD1 PHE 5 -3.448 2.557 -2.210 38 HD2 PHE 5 HD2 PHE 5 -2.115 5.313 -5.167 39 HE1 PHE 5 HE1 PHE 5 -5.076 4.213 -1.396 40 HE2 PHE 5 HE2 PHE 5 -3.739 6.974 -4.357 41 HZ PHE 5 HZ PHE 5 -5.222 6.425 -2.468 42 H HIS 6 H HIS 6 -1.266 1.926 -7.196 43 HA HIS 6 HA HIS 6 -3.139 3.540 -8.484 44 HB2 HIS 6 2HB HIS 6 -0.857 1.853 -9.328 45 HB3 HIS 6 3HB HIS 6 -2.029 2.248 -10.582 46 HD1 HIS 6 HD1 HIS 6 -2.628 5.041 -10.446 47 HD2 HIS 6 HD2 HIS 6 1.119 3.677 -9.279 48 HE1 HIS 6 HE1 HIS 6 -1.111 7.042 -10.583 49 HA PRO 7 HA PRO 7 -4.979 -0.466 -10.474 50 HB2 PRO 7 2HB PRO 7 -4.249 -2.839 -9.375 51 HB3 PRO 7 3HB PRO 7 -3.361 -2.081 -10.702 52 HG2 PRO 7 2HG PRO 7 -2.756 -2.075 -7.770 53 HG3 PRO 7 3HG PRO 7 -1.652 -2.295 -9.140 54 HD2 PRO 7 2HD PRO 7 -1.893 0.061 -7.829 55 HD3 PRO 7 3HD PRO 7 -1.522 -0.033 -9.563 56 H LEU 8 H LEU 8 -4.425 -0.246 -7.036 57 HA LEU 8 HA LEU 8 -6.833 -1.668 -6.326 58 HB2 LEU 8 2HB LEU 8 -4.995 -1.819 -4.817 59 HB3 LEU 8 3HB LEU 8 -4.844 -0.065 -4.736 60 HG LEU 8 HG LEU 8 -7.387 -1.287 -3.799 61 HD11 LEU 8 1HD1 LEU 8 -4.824 -2.060 -2.771 62 HD12 LEU 8 2HD1 LEU 8 -6.433 -2.585 -2.277 63 HD13 LEU 8 3HD1 LEU 8 -5.716 -1.145 -1.555 64 HD21 LEU 8 3HD2 LEU 8 -7.484 0.984 -3.565 65 HD22 LEU 8 1HD2 LEU 8 -5.748 1.143 -3.294 66 HD23 LEU 8 2HD2 LEU 8 -6.791 0.550 -2.001 67 H ALA 9 H ALA 9 -5.923 1.581 -7.040 68 HA ALA 9 HA ALA 9 -7.877 3.013 -5.644 69 HB1 ALA 9 1HB ALA 9 -6.519 3.598 -8.268 70 HB2 ALA 9 2HB ALA 9 -7.559 4.744 -7.422 71 HB3 ALA 9 3HB ALA 9 -6.067 4.183 -6.667 72 H ALA 10 H ALA 10 -7.985 1.460 -8.824 73 HA ALA 10 HA ALA 10 -10.518 2.399 -9.603 74 HB1 ALA 10 1HB ALA 10 -10.504 0.383 -11.120 75 HB2 ALA 10 2HB ALA 10 -9.121 1.467 -11.269 76 HB3 ALA 10 3HB ALA 10 -8.959 -0.051 -10.387 77 H SER 11 H SER 11 -9.536 -0.540 -7.877 78 HA SER 11 HA SER 11 -12.092 -1.711 -7.731 79 HB2 SER 11 2HB SER 11 -9.677 -2.023 -5.934 80 HB3 SER 11 3HB SER 11 -11.116 -3.038 -5.842 81 HG SER 11 HG SER 11 -9.232 -2.829 -7.935 82 H PHE 12 H PHE 12 -10.335 0.389 -5.476 83 HA PHE 12 HA PHE 12 -12.397 0.408 -3.512 84 HB2 PHE 12 2HB PHE 12 -9.910 2.016 -3.982 85 HB3 PHE 12 3HB PHE 12 -11.076 2.543 -2.774 86 HD1 PHE 12 HD1 PHE 12 -9.683 -0.775 -3.769 87 HD2 PHE 12 HD2 PHE 12 -10.368 2.045 -0.655 88 HE1 PHE 12 HE1 PHE 12 -8.696 -2.335 -2.143 89 HE2 PHE 12 HE2 PHE 12 -9.381 0.490 0.975 90 HZ PHE 12 HZ PHE 12 -8.542 -1.703 0.232 91 H ILE 13 H ILE 13 -11.763 2.234 -6.391 92 HA ILE 13 HA ILE 13 -13.490 4.431 -5.746 93 HB ILE 13 HB ILE 13 -12.062 3.540 -8.219 94 HG12 ILE 13 2HG1 ILE 13 -10.909 4.907 -6.507 95 HG13 ILE 13 3HG1 ILE 13 -11.043 5.746 -8.049 96 HG21 ILE 13 1HG2 ILE 13 -14.308 5.532 -8.083 97 HG22 ILE 13 2HG2 ILE 13 -13.086 5.563 -9.353 98 HG23 ILE 13 3HG2 ILE 13 -14.130 4.154 -9.169 99 HD11 ILE 13 3HD1 ILE 13 -12.196 7.410 -7.143 100 HD12 ILE 13 1HD1 ILE 13 -13.280 6.307 -6.295 101 HD13 ILE 13 2HD1 ILE 13 -11.727 6.743 -5.580 102 H VAL 14 H VAL 14 -13.783 1.457 -7.635 103 HA VAL 14 HA VAL 14 -16.400 2.013 -8.613 104 HB VAL 14 HB VAL 14 -14.981 -0.641 -8.338 105 HG11 VAL 14 1HG1 VAL 14 -17.643 0.104 -9.294 106 HG12 VAL 14 2HG1 VAL 14 -16.714 -0.868 -10.437 107 HG13 VAL 14 3HG1 VAL 14 -17.011 -1.468 -8.805 108 HG21 VAL 14 3HG2 VAL 14 -14.405 1.543 -9.994 109 HG22 VAL 14 1HG2 VAL 14 -13.782 -0.101 -10.130 110 HG23 VAL 14 2HG2 VAL 14 -15.230 0.370 -11.020 111 H ARG 15 H ARG 15 -15.169 0.832 -5.630 112 HA ARG 15 HA ARG 15 -17.595 -0.504 -4.826 113 HB2 ARG 15 2HB ARG 15 -16.292 -1.403 -3.248 114 HB3 ARG 15 3HB ARG 15 -14.940 -0.547 -3.979 115 HG2 ARG 15 2HG ARG 15 -15.315 1.341 -2.482 116 HG3 ARG 15 3HG ARG 15 -16.685 0.497 -1.758 117 HD2 ARG 15 2HD ARG 15 -14.167 -1.020 -1.824 118 HD3 ARG 15 3HD ARG 15 -14.151 0.415 -0.800 119 HE ARG 15 HE ARG 15 -16.481 -1.060 -0.274 120 HH11 ARG 15 1HH1 ARG 15 -13.032 -1.249 0.159 121 HH12 ARG 15 2HH1 ARG 15 -13.133 -2.228 1.585 122 HH21 ARG 15 1HH2 ARG 15 -16.628 -2.348 1.603 123 HH22 ARG 15 2HH2 ARG 15 -15.179 -2.854 2.405 124 H CYS 16 H CYS 16 -16.025 2.598 -4.225 125 HA CYS 16 HA CYS 16 -18.108 3.438 -2.395 126 HB2 CYS 16 2HB CYS 16 -15.765 4.964 -3.553 127 HB3 CYS 16 3HB CYS 16 -16.838 5.555 -2.290 128 HG CYS 16 HG CYS 16 -14.411 3.194 -2.093 129 H ALA 17 H ALA 17 -17.151 3.982 -5.728 130 HA ALA 17 HA ALA 17 -18.809 6.179 -6.290 131 HB1 ALA 17 1HB ALA 17 -18.492 5.624 -8.622 132 HB2 ALA 17 2HB ALA 17 -16.973 5.421 -7.749 133 HB3 ALA 17 3HB ALA 17 -17.931 4.008 -8.190 134 H PHE 18 H PHE 18 -19.410 2.704 -6.366 135 HA PHE 18 HA PHE 18 -22.015 2.934 -7.522 136 HB2 PHE 18 2HB PHE 18 -20.407 0.885 -7.471 137 HB3 PHE 18 3HB PHE 18 -21.124 0.574 -5.894 138 HD1 PHE 18 HD1 PHE 18 -23.601 0.217 -5.735 139 HD2 PHE 18 HD2 PHE 18 -21.528 0.317 -9.451 140 HE1 PHE 18 HE1 PHE 18 -25.496 -0.918 -6.819 141 HE2 PHE 18 HE2 PHE 18 -23.419 -0.817 -10.541 142 HZ PHE 18 HZ PHE 18 -25.407 -1.436 -9.226 143 H GLU 19 H GLU 19 -20.746 2.643 -4.244 144 HA GLU 19 HA GLU 19 -23.338 2.444 -3.030 145 HB2 GLU 19 2HB GLU 19 -21.616 1.436 -1.791 146 HB3 GLU 19 3HB GLU 19 -20.548 2.820 -1.979 147 HG2 GLU 19 2HG GLU 19 -21.452 3.932 -0.240 148 HG3 GLU 19 3HG GLU 19 -23.075 3.315 -0.545 149 H HIS 20 H HIS 20 -21.187 5.012 -3.938 150 HA HIS 20 HA HIS 20 -22.319 7.031 -2.278 151 HB2 HIS 20 2HB HIS 20 -20.048 7.179 -3.281 152 HB3 HIS 20 3HB HIS 20 -20.790 7.360 -4.868 153 HD1 HIS 20 HD1 HIS 20 -22.228 9.587 -5.215 154 HD2 HIS 20 HD2 HIS 20 -19.809 9.493 -1.838 155 HE1 HIS 20 HE1 HIS 20 -22.046 11.976 -4.451 156 H SER 21 H SER 21 -22.985 5.831 -5.509 157 HA SER 21 HA SER 21 -24.881 7.932 -6.090 158 HB2 SER 21 2HB SER 21 -24.379 5.353 -7.594 159 HB3 SER 21 3HB SER 21 -25.239 6.771 -8.195 160 HG SER 21 HG SER 21 -22.617 7.086 -7.268 161 H ARG 22 H ARG 22 -24.948 4.583 -5.032 162 HA ARG 22 HA ARG 22 -27.662 4.039 -5.382 163 HB2 ARG 22 2HB ARG 22 -25.649 3.027 -3.380 164 HB3 ARG 22 3HB ARG 22 -27.303 2.432 -3.426 165 HG2 ARG 22 2HG ARG 22 -26.048 2.386 -6.040 166 HG3 ARG 22 3HG ARG 22 -25.162 1.437 -4.845 167 HD2 ARG 22 2HD ARG 22 -28.126 1.162 -5.019 168 HD3 ARG 22 3HD ARG 22 -27.119 0.370 -6.230 169 HE ARG 22 HE ARG 22 -26.251 -0.173 -3.562 170 HH11 ARG 22 1HH1 ARG 22 -28.543 -1.077 -6.021 171 HH12 ARG 22 2HH1 ARG 22 -28.756 -2.686 -5.416 172 HH21 ARG 22 1HH2 ARG 22 -26.522 -2.290 -2.755 173 HH22 ARG 22 2HH2 ARG 22 -27.606 -3.375 -3.558 174 H ARG 23 H ARG 23 -25.963 5.571 -2.682 175 HA ARG 23 HA ARG 23 -28.097 5.740 -0.891 176 HB2 ARG 23 2HB ARG 23 -26.029 6.262 0.035 177 HB3 ARG 23 3HB ARG 23 -25.590 7.328 -1.293 178 HG2 ARG 23 2HG ARG 23 -26.709 9.112 -0.419 179 HG3 ARG 23 3HG ARG 23 -27.888 8.102 0.419 180 HD2 ARG 23 2HD ARG 23 -25.148 7.746 1.369 181 HD3 ARG 23 3HD ARG 23 -25.763 9.384 1.585 182 HE ARG 23 HE ARG 23 -27.699 7.554 2.472 183 HH11 ARG 23 1HH1 ARG 23 -24.552 8.764 3.341 184 HH12 ARG 23 2HH1 ARG 23 -24.772 8.492 5.038 185 HH21 ARG 23 1HH2 ARG 23 -28.000 7.190 4.703 186 HH22 ARG 23 2HH2 ARG 23 -26.734 7.596 5.811 187 H PHE 24 H PHE 24 -27.401 7.547 -3.762 188 HA PHE 24 HA PHE 24 -29.197 9.715 -3.131 189 HB2 PHE 24 2HB PHE 24 -27.134 9.918 -4.594 190 HB3 PHE 24 3HB PHE 24 -28.029 9.045 -5.833 191 HD1 PHE 24 HD2 PHE 24 -30.332 10.050 -6.492 192 HD2 PHE 24 HD1 PHE 24 -27.255 12.218 -4.505 193 HE1 PHE 24 HE2 PHE 24 -31.330 12.164 -7.260 194 HE2 PHE 24 HE1 PHE 24 -28.248 14.335 -5.269 195 HZ PHE 24 HZ PHE 24 -30.288 14.310 -6.650 196 H THR 25 H THR 25 -29.245 6.794 -5.101 197 HA THR 25 HA THR 25 -31.524 7.142 -6.588 198 HB THR 25 HB THR 25 -29.889 5.080 -6.351 199 HG1 THR 25 HG1 THR 25 -32.627 5.031 -7.116 200 HG21 THR 25 3HG2 THR 25 -30.539 3.347 -5.009 201 HG22 THR 25 1HG2 THR 25 -32.237 3.820 -5.031 202 HG23 THR 25 2HG2 THR 25 -31.091 4.695 -4.015 Start of MODEL 10 1 H1 GLN 1 H GLN 1 2.042 -0.113 0.614 2 HA GLN 1 HA GLN 1 3.326 0.390 -1.294 3 HB2 GLN 1 2HB GLN 1 1.455 -1.843 -1.544 4 HB3 GLN 1 3HB GLN 1 2.024 -1.244 -3.096 5 HG2 GLN 1 2HG GLN 1 4.047 -1.705 -0.983 6 HG3 GLN 1 3HG GLN 1 3.306 -3.118 -1.733 7 HE21 GLN 1 1HE2 GLN 1 3.567 -3.439 -3.975 8 HE22 GLN 1 2HE2 GLN 1 4.873 -2.706 -4.836 9 H ARG 2 H ARG 2 3.519 1.817 -2.904 10 HA ARG 2 HA ARG 2 1.232 3.354 -3.703 11 HB2 ARG 2 2HB ARG 2 3.979 3.530 -4.924 12 HB3 ARG 2 3HB ARG 2 2.762 4.792 -4.795 13 HG2 ARG 2 2HG ARG 2 3.309 5.298 -2.656 14 HG3 ARG 2 3HG ARG 2 3.772 3.640 -2.265 15 HD2 ARG 2 2HD ARG 2 5.782 3.999 -3.766 16 HD3 ARG 2 3HD ARG 2 5.357 5.710 -3.767 17 HE ARG 2 HE ARG 2 6.648 4.272 -1.677 18 HH11 ARG 2 1HH1 ARG 2 4.438 6.885 -2.313 19 HH12 ARG 2 2HH1 ARG 2 4.808 7.729 -0.846 20 HH21 ARG 2 1HH2 ARG 2 7.144 5.373 0.258 21 HH22 ARG 2 2HH2 ARG 2 6.348 6.868 0.616 22 H SER 3 H SER 3 3.401 1.037 -5.265 23 HA SER 3 HA SER 3 2.438 1.270 -7.877 24 HB2 SER 3 2HB SER 3 4.498 0.006 -7.103 25 HB3 SER 3 3HB SER 3 3.415 -1.302 -6.628 26 HG SER 3 HG SER 3 3.546 -0.204 -9.241 27 H ASN 4 H ASN 4 1.311 -0.695 -5.169 28 HA ASN 4 HA ASN 4 -0.731 -1.986 -6.744 29 HB2 ASN 4 2HB ASN 4 -0.246 -1.963 -3.757 30 HB3 ASN 4 3HB ASN 4 -1.431 -2.974 -4.579 31 HD21 ASN 4 1HD2 ASN 4 0.792 -3.802 -2.953 32 HD22 ASN 4 2HD2 ASN 4 1.806 -4.779 -3.955 33 H PHE 5 H PHE 5 -0.420 0.925 -4.983 34 HA PHE 5 HA PHE 5 -3.101 1.310 -4.182 35 HB2 PHE 5 2HB PHE 5 -1.129 2.615 -3.346 36 HB3 PHE 5 3HB PHE 5 -1.090 3.452 -4.895 37 HD1 PHE 5 HD2 PHE 5 -3.504 2.645 -2.167 38 HD2 PHE 5 HD1 PHE 5 -2.157 5.475 -5.047 39 HE1 PHE 5 HE2 PHE 5 -5.136 4.279 -1.319 40 HE2 PHE 5 HE1 PHE 5 -3.786 7.115 -4.202 41 HZ PHE 5 HZ PHE 5 -5.279 6.517 -2.336 42 H HIS 6 H HIS 6 -1.353 2.075 -7.146 43 HA HIS 6 HA HIS 6 -3.265 3.669 -8.399 44 HB2 HIS 6 2HB HIS 6 -0.978 2.011 -9.285 45 HB3 HIS 6 3HB HIS 6 -2.175 2.395 -10.518 46 HD1 HIS 6 HD1 HIS 6 0.901 3.529 -9.910 47 HD2 HIS 6 HD2 HIS 6 -2.743 5.516 -9.723 48 HE1 HIS 6 HE1 HIS 6 1.451 5.968 -10.184 49 HA PRO 7 HA PRO 7 -5.090 -0.354 -10.368 50 HB2 PRO 7 2HB PRO 7 -4.315 -2.720 -9.286 51 HB3 PRO 7 3HB PRO 7 -3.457 -1.949 -10.626 52 HG2 PRO 7 2HG PRO 7 -2.804 -1.941 -7.704 53 HG3 PRO 7 3HG PRO 7 -1.720 -2.146 -9.092 54 HD2 PRO 7 2HD PRO 7 -1.968 0.205 -7.773 55 HD3 PRO 7 3HD PRO 7 -1.624 0.118 -9.512 56 H LEU 8 H LEU 8 -4.484 -0.130 -6.940 57 HA LEU 8 HA LEU 8 -6.860 -1.585 -6.191 58 HB2 LEU 8 2HB LEU 8 -4.864 -1.610 -4.778 59 HB3 LEU 8 3HB LEU 8 -5.002 0.132 -4.550 60 HG LEU 8 HG LEU 8 -5.798 -1.448 -2.672 61 HD11 LEU 8 1HD1 LEU 8 -6.865 0.337 -1.858 62 HD12 LEU 8 2HD1 LEU 8 -8.013 0.379 -3.196 63 HD13 LEU 8 3HD1 LEU 8 -6.422 1.120 -3.374 64 HD21 LEU 8 3HD2 LEU 8 -7.246 -2.643 -4.562 65 HD22 LEU 8 1HD2 LEU 8 -8.425 -1.440 -4.040 66 HD23 LEU 8 2HD2 LEU 8 -7.755 -2.581 -2.874 67 H ALA 9 H ALA 9 -5.996 1.685 -6.892 68 HA ALA 9 HA ALA 9 -7.976 3.069 -5.477 69 HB1 ALA 9 1HB ALA 9 -6.620 3.720 -8.087 70 HB2 ALA 9 2HB ALA 9 -7.668 4.837 -7.212 71 HB3 ALA 9 3HB ALA 9 -6.169 4.274 -6.474 72 H ALA 10 H ALA 10 -8.043 1.557 -8.675 73 HA ALA 10 HA ALA 10 -10.584 2.476 -9.458 74 HB1 ALA 10 1HB ALA 10 -10.533 0.491 -11.010 75 HB2 ALA 10 2HB ALA 10 -9.157 1.588 -11.127 76 HB3 ALA 10 3HB ALA 10 -8.992 0.055 -10.270 77 H SER 11 H SER 11 -9.571 -0.473 -7.769 78 HA SER 11 HA SER 11 -12.105 -1.690 -7.660 79 HB2 SER 11 2HB SER 11 -9.706 -1.975 -5.838 80 HB3 SER 11 3HB SER 11 -11.127 -3.018 -5.774 81 HG SER 11 HG SER 11 -9.611 -2.639 -8.134 82 H PHE 12 H PHE 12 -10.411 0.411 -5.356 83 HA PHE 12 HA PHE 12 -12.502 0.375 -3.423 84 HB2 PHE 12 2HB PHE 12 -9.985 1.923 -3.822 85 HB3 PHE 12 3HB PHE 12 -11.192 2.579 -2.720 86 HD1 PHE 12 HD1 PHE 12 -10.524 -1.008 -3.260 87 HD2 PHE 12 HD2 PHE 12 -10.006 2.347 -0.694 88 HE1 PHE 12 HE1 PHE 12 -9.705 -2.499 -1.482 89 HE2 PHE 12 HE2 PHE 12 -9.185 0.863 1.088 90 HZ PHE 12 HZ PHE 12 -9.033 -1.564 0.695 91 H ILE 13 H ILE 13 -11.848 2.251 -6.265 92 HA ILE 13 HA ILE 13 -13.611 4.416 -5.619 93 HB ILE 13 HB ILE 13 -12.140 3.570 -8.083 94 HG12 ILE 13 2HG1 ILE 13 -11.032 4.938 -6.341 95 HG13 ILE 13 3HG1 ILE 13 -11.155 5.788 -7.878 96 HG21 ILE 13 1HG2 ILE 13 -14.418 5.528 -7.958 97 HG22 ILE 13 2HG2 ILE 13 -13.179 5.590 -9.211 98 HG23 ILE 13 3HG2 ILE 13 -14.204 4.163 -9.055 99 HD11 ILE 13 3HD1 ILE 13 -11.886 6.755 -5.411 100 HD12 ILE 13 1HD1 ILE 13 -12.345 7.428 -6.975 101 HD13 ILE 13 2HD1 ILE 13 -13.423 6.302 -6.148 102 H VAL 14 H VAL 14 -13.847 1.461 -7.545 103 HA VAL 14 HA VAL 14 -16.458 1.997 -8.547 104 HB VAL 14 HB VAL 14 -15.012 -0.643 -8.285 105 HG11 VAL 14 1HG1 VAL 14 -16.719 -0.863 -10.408 106 HG12 VAL 14 2HG1 VAL 14 -17.025 -1.490 -8.787 107 HG13 VAL 14 3HG1 VAL 14 -17.672 0.081 -9.262 108 HG21 VAL 14 3HG2 VAL 14 -13.792 -0.060 -10.049 109 HG22 VAL 14 1HG2 VAL 14 -15.238 0.382 -10.957 110 HG23 VAL 14 2HG2 VAL 14 -14.453 1.570 -9.916 111 H ARG 15 H ARG 15 -15.249 0.797 -5.563 112 HA ARG 15 HA ARG 15 -17.670 -0.573 -4.803 113 HB2 ARG 15 2HB ARG 15 -16.376 -1.479 -3.222 114 HB3 ARG 15 3HB ARG 15 -15.025 -0.600 -3.926 115 HG2 ARG 15 2HG ARG 15 -15.437 1.265 -2.411 116 HG3 ARG 15 3HG ARG 15 -16.807 0.398 -1.713 117 HD2 ARG 15 2HD ARG 15 -14.365 -1.184 -1.745 118 HD3 ARG 15 3HD ARG 15 -14.194 0.312 -0.827 119 HE ARG 15 HE ARG 15 -15.774 -1.982 -0.124 120 HH11 ARG 15 1HH1 ARG 15 -15.375 1.451 0.288 121 HH12 ARG 15 2HH1 ARG 15 -16.195 1.495 1.813 122 HH21 ARG 15 1HH2 ARG 15 -16.855 -1.937 1.884 123 HH22 ARG 15 2HH2 ARG 15 -17.036 -0.433 2.721 124 H CYS 16 H CYS 16 -16.140 2.537 -4.149 125 HA CYS 16 HA CYS 16 -18.250 3.335 -2.332 126 HB2 CYS 16 2HB CYS 16 -15.911 4.897 -3.448 127 HB3 CYS 16 3HB CYS 16 -17.004 5.463 -2.190 128 HG CYS 16 HG CYS 16 -14.453 3.275 -1.988 129 H ALA 17 H ALA 17 -17.266 3.924 -5.649 130 HA ALA 17 HA ALA 17 -18.945 6.109 -6.200 131 HB1 ALA 17 1HB ALA 17 -18.013 3.980 -8.121 132 HB2 ALA 17 2HB ALA 17 -18.585 5.597 -8.534 133 HB3 ALA 17 3HB ALA 17 -17.077 5.397 -7.643 134 H PHE 18 H PHE 18 -19.494 2.628 -6.324 135 HA PHE 18 HA PHE 18 -22.079 2.825 -7.525 136 HB2 PHE 18 2HB PHE 18 -20.452 0.798 -7.457 137 HB3 PHE 18 3HB PHE 18 -21.174 0.477 -5.884 138 HD1 PHE 18 HD2 PHE 18 -21.958 0.897 -9.478 139 HD2 PHE 18 HD1 PHE 18 -23.240 -0.604 -5.707 140 HE1 PHE 18 HE2 PHE 18 -23.825 -0.266 -10.580 141 HE2 PHE 18 HE1 PHE 18 -25.109 -1.770 -6.803 142 HZ PHE 18 HZ PHE 18 -25.404 -1.601 -9.242 143 H GLU 19 H GLU 19 -20.869 2.570 -4.225 144 HA GLU 19 HA GLU 19 -23.492 2.339 -3.069 145 HB2 GLU 19 2HB GLU 19 -21.797 1.315 -1.804 146 HB3 GLU 19 3HB GLU 19 -20.727 2.702 -1.951 147 HG2 GLU 19 2HG GLU 19 -21.674 3.795 -0.221 148 HG3 GLU 19 3HG GLU 19 -23.287 3.176 -0.570 149 H HIS 20 H HIS 20 -21.324 4.911 -3.914 150 HA HIS 20 HA HIS 20 -22.470 6.919 -2.255 151 HB2 HIS 20 2HB HIS 20 -20.196 7.083 -3.237 152 HB3 HIS 20 3HB HIS 20 -20.920 7.253 -4.833 153 HD1 HIS 20 HD1 HIS 20 -21.353 9.033 -1.486 154 HD2 HIS 20 HD2 HIS 20 -20.999 9.847 -5.545 155 HE1 HIS 20 HE1 HIS 20 -21.448 11.539 -1.681 156 H SER 21 H SER 21 -23.100 5.766 -5.516 157 HA SER 21 HA SER 21 -25.022 7.858 -6.056 158 HB2 SER 21 2HB SER 21 -24.445 5.345 -7.643 159 HB3 SER 21 3HB SER 21 -25.329 6.764 -8.205 160 HG SER 21 HG SER 21 -22.754 7.166 -7.222 161 H ARG 22 H ARG 22 -25.029 4.489 -5.079 162 HA ARG 22 HA ARG 22 -27.703 3.855 -5.509 163 HB2 ARG 22 2HB ARG 22 -25.666 2.432 -4.625 164 HB3 ARG 22 3HB ARG 22 -26.321 2.864 -3.051 165 HG2 ARG 22 2HG ARG 22 -28.504 1.916 -3.762 166 HG3 ARG 22 3HG ARG 22 -27.728 1.369 -5.250 167 HD2 ARG 22 2HD ARG 22 -26.277 -0.086 -4.056 168 HD3 ARG 22 3HD ARG 22 -26.740 0.620 -2.508 169 HE ARG 22 HE ARG 22 -29.053 -0.394 -3.638 170 HH11 ARG 22 1HH1 ARG 22 -25.977 -1.612 -2.554 171 HH12 ARG 22 2HH1 ARG 22 -26.599 -3.170 -2.123 172 HH21 ARG 22 1HH2 ARG 22 -29.884 -2.442 -3.076 173 HH22 ARG 22 2HH2 ARG 22 -28.821 -3.642 -2.422 174 H ARG 23 H ARG 23 -26.165 5.454 -2.753 175 HA ARG 23 HA ARG 23 -28.362 5.547 -1.038 176 HB2 ARG 23 2HB ARG 23 -26.386 6.180 -0.017 177 HB3 ARG 23 3HB ARG 23 -25.893 7.197 -1.364 178 HG2 ARG 23 2HG ARG 23 -27.089 8.996 -0.630 179 HG3 ARG 23 3HG ARG 23 -28.289 8.000 0.196 180 HD2 ARG 23 2HD ARG 23 -26.985 9.119 1.858 181 HD3 ARG 23 3HD ARG 23 -26.541 7.412 1.874 182 HE ARG 23 HE ARG 23 -24.705 8.495 0.221 183 HH11 ARG 23 1HH1 ARG 23 -25.801 9.323 3.420 184 HH12 ARG 23 2HH1 ARG 23 -24.277 9.982 3.913 185 HH21 ARG 23 1HH2 ARG 23 -22.693 9.361 0.859 186 HH22 ARG 23 2HH2 ARG 23 -22.510 10.004 2.455 187 H PHE 24 H PHE 24 -27.604 7.427 -3.863 188 HA PHE 24 HA PHE 24 -29.572 9.466 -3.310 189 HB2 PHE 24 2HB PHE 24 -27.429 9.834 -4.620 190 HB3 PHE 24 3HB PHE 24 -28.183 8.942 -5.938 191 HD1 PHE 24 HD1 PHE 24 -30.440 9.825 -6.797 192 HD2 PHE 24 HD2 PHE 24 -27.753 12.117 -4.422 193 HE1 PHE 24 HE1 PHE 24 -31.515 11.894 -7.584 194 HE2 PHE 24 HE2 PHE 24 -28.824 14.189 -5.204 195 HZ PHE 24 HZ PHE 24 -30.708 14.080 -6.786 196 H THR 25 H THR 25 -29.286 6.621 -5.375 197 HA THR 25 HA THR 25 -31.923 7.037 -6.511 198 HB THR 25 HB THR 25 -29.932 6.046 -7.778 199 HG1 THR 25 HG1 THR 25 -32.569 5.101 -7.722 200 HG21 THR 25 3HG2 THR 25 -29.108 4.017 -7.270 201 HG22 THR 25 1HG2 THR 25 -30.704 3.350 -6.929 202 HG23 THR 25 2HG2 THR 25 -29.853 4.276 -5.693 Start of MODEL 11 1 H1 GLN 1 H GLN 1 2.089 0.035 0.669 2 HA GLN 1 HA GLN 1 3.361 0.399 -1.217 3 HB2 GLN 1 2HB GLN 1 1.970 -1.991 -1.297 4 HB3 GLN 1 3HB GLN 1 1.688 -1.306 -2.893 5 HG2 GLN 1 2HG GLN 1 3.625 -2.256 -3.438 6 HG3 GLN 1 3HG GLN 1 4.365 -0.907 -2.577 7 HE21 GLN 1 1HE2 GLN 1 3.122 -4.182 -2.108 8 HE22 GLN 1 2HE2 GLN 1 4.243 -4.620 -0.869 9 H ARG 2 H ARG 2 3.569 1.822 -2.840 10 HA ARG 2 HA ARG 2 1.281 3.365 -3.628 11 HB2 ARG 2 2HB ARG 2 4.032 3.558 -4.839 12 HB3 ARG 2 3HB ARG 2 2.812 4.817 -4.699 13 HG2 ARG 2 2HG ARG 2 3.353 5.300 -2.553 14 HG3 ARG 2 3HG ARG 2 3.818 3.638 -2.180 15 HD2 ARG 2 2HD ARG 2 5.872 4.650 -2.173 16 HD3 ARG 2 3HD ARG 2 5.771 4.154 -3.862 17 HE ARG 2 HE ARG 2 5.725 6.359 -4.463 18 HH11 ARG 2 1HH1 ARG 2 4.979 6.094 -1.073 19 HH12 ARG 2 2HH1 ARG 2 5.010 7.805 -0.800 20 HH21 ARG 2 1HH2 ARG 2 5.769 8.613 -4.116 21 HH22 ARG 2 2HH2 ARG 2 5.459 9.237 -2.531 22 H SER 3 H SER 3 3.458 1.069 -5.209 23 HA SER 3 HA SER 3 2.501 1.329 -7.821 24 HB2 SER 3 2HB SER 3 4.561 0.059 -7.055 25 HB3 SER 3 3HB SER 3 3.478 -1.256 -6.599 26 HG SER 3 HG SER 3 4.517 -1.029 -8.885 27 H ASN 4 H ASN 4 1.370 -0.668 -5.138 28 HA ASN 4 HA ASN 4 -0.667 -1.944 -6.732 29 HB2 ASN 4 2HB ASN 4 -0.188 -1.953 -3.744 30 HB3 ASN 4 3HB ASN 4 -1.371 -2.956 -4.579 31 HD21 ASN 4 1HD2 ASN 4 0.009 -4.561 -3.354 32 HD22 ASN 4 2HD2 ASN 4 1.352 -5.231 -4.210 33 H PHE 5 H PHE 5 -0.364 0.948 -4.938 34 HA PHE 5 HA PHE 5 -3.048 1.321 -4.140 35 HB2 PHE 5 2HB PHE 5 -1.080 2.619 -3.284 36 HB3 PHE 5 3HB PHE 5 -1.037 3.472 -4.824 37 HD1 PHE 5 HD2 PHE 5 -3.911 2.478 -2.677 38 HD2 PHE 5 HD1 PHE 5 -1.654 5.652 -4.393 39 HE1 PHE 5 HE2 PHE 5 -5.547 4.102 -1.817 40 HE2 PHE 5 HE1 PHE 5 -3.286 7.281 -3.535 41 HZ PHE 5 HZ PHE 5 -5.236 6.507 -2.246 42 H HIS 6 H HIS 6 -1.292 2.121 -7.091 43 HA HIS 6 HA HIS 6 -3.204 3.726 -8.332 44 HB2 HIS 6 2HB HIS 6 -0.912 2.080 -9.230 45 HB3 HIS 6 3HB HIS 6 -2.107 2.477 -10.461 46 HD1 HIS 6 HD1 HIS 6 0.941 3.598 -10.018 47 HD2 HIS 6 HD2 HIS 6 -2.655 5.600 -9.448 48 HE1 HIS 6 HE1 HIS 6 1.494 6.043 -10.216 49 HA PRO 7 HA PRO 7 -5.019 -0.277 -10.349 50 HB2 PRO 7 2HB PRO 7 -4.243 -2.654 -9.291 51 HB3 PRO 7 3HB PRO 7 -3.383 -1.868 -10.620 52 HG2 PRO 7 2HG PRO 7 -2.737 -1.891 -7.697 53 HG3 PRO 7 3HG PRO 7 -1.650 -2.080 -9.085 54 HD2 PRO 7 2HD PRO 7 -1.903 0.257 -7.740 55 HD3 PRO 7 3HD PRO 7 -1.555 0.189 -9.479 56 H LEU 8 H LEU 8 -4.421 -0.091 -6.917 57 HA LEU 8 HA LEU 8 -6.797 -1.557 -6.190 58 HB2 LEU 8 2HB LEU 8 -4.805 -1.595 -4.772 59 HB3 LEU 8 3HB LEU 8 -4.946 0.145 -4.526 60 HG LEU 8 HG LEU 8 -5.745 -1.457 -2.667 61 HD11 LEU 8 1HD1 LEU 8 -7.959 0.374 -3.177 62 HD12 LEU 8 2HD1 LEU 8 -6.369 1.118 -3.342 63 HD13 LEU 8 3HD1 LEU 8 -6.815 0.318 -1.835 64 HD21 LEU 8 3HD2 LEU 8 -8.368 -1.437 -4.042 65 HD22 LEU 8 1HD2 LEU 8 -7.698 -2.590 -2.887 66 HD23 LEU 8 2HD2 LEU 8 -7.186 -2.633 -4.575 67 H ALA 9 H ALA 9 -5.936 1.722 -6.854 68 HA ALA 9 HA ALA 9 -7.921 3.088 -5.428 69 HB1 ALA 9 1HB ALA 9 -6.113 4.305 -6.407 70 HB2 ALA 9 2HB ALA 9 -6.560 3.770 -8.027 71 HB3 ALA 9 3HB ALA 9 -7.612 4.875 -7.142 72 H ALA 10 H ALA 10 -7.979 1.611 -8.643 73 HA ALA 10 HA ALA 10 -10.519 2.535 -9.422 74 HB1 ALA 10 1HB ALA 10 -9.085 1.668 -11.096 75 HB2 ALA 10 2HB ALA 10 -8.922 0.125 -10.257 76 HB3 ALA 10 3HB ALA 10 -10.461 0.568 -10.996 77 H SER 11 H SER 11 -9.506 -0.431 -7.763 78 HA SER 11 HA SER 11 -12.039 -1.653 -7.674 79 HB2 SER 11 2HB SER 11 -9.643 -1.954 -5.850 80 HB3 SER 11 3HB SER 11 -11.063 -2.999 -5.799 81 HG SER 11 HG SER 11 -9.247 -3.762 -7.105 82 H PHE 12 H PHE 12 -10.354 0.425 -5.342 83 HA PHE 12 HA PHE 12 -12.449 0.365 -3.415 84 HB2 PHE 12 2HB PHE 12 -9.933 1.922 -3.790 85 HB3 PHE 12 3HB PHE 12 -11.144 2.563 -2.684 86 HD1 PHE 12 HD2 PHE 12 -10.469 -1.018 -3.263 87 HD2 PHE 12 HD1 PHE 12 -9.961 2.311 -0.659 88 HE1 PHE 12 HE2 PHE 12 -9.651 -2.526 -1.500 89 HE2 PHE 12 HE1 PHE 12 -9.141 0.807 1.107 90 HZ PHE 12 HZ PHE 12 -8.986 -1.615 0.689 91 H ILE 13 H ILE 13 -11.791 2.273 -6.235 92 HA ILE 13 HA ILE 13 -13.558 4.428 -5.570 93 HB ILE 13 HB ILE 13 -12.080 3.612 -8.038 94 HG12 ILE 13 2HG1 ILE 13 -10.978 4.962 -6.279 95 HG13 ILE 13 3HG1 ILE 13 -11.098 5.828 -7.806 96 HG21 ILE 13 1HG2 ILE 13 -14.360 5.565 -7.898 97 HG22 ILE 13 2HG2 ILE 13 -13.118 5.643 -9.147 98 HG23 ILE 13 3HG2 ILE 13 -14.142 4.213 -9.010 99 HD11 ILE 13 3HD1 ILE 13 -11.836 6.767 -5.331 100 HD12 ILE 13 1HD1 ILE 13 -12.293 7.457 -6.889 101 HD13 ILE 13 2HD1 ILE 13 -13.371 6.321 -6.077 102 H VAL 14 H VAL 14 -13.785 1.494 -7.529 103 HA VAL 14 HA VAL 14 -16.394 2.038 -8.532 104 HB VAL 14 HB VAL 14 -14.945 -0.603 -8.295 105 HG11 VAL 14 1HG1 VAL 14 -17.543 0.194 -9.506 106 HG12 VAL 14 2HG1 VAL 14 -16.567 -1.024 -10.330 107 HG13 VAL 14 3HG1 VAL 14 -17.095 -1.292 -8.668 108 HG21 VAL 14 3HG2 VAL 14 -15.155 0.431 -10.959 109 HG22 VAL 14 1HG2 VAL 14 -14.403 1.633 -9.910 110 HG23 VAL 14 2HG2 VAL 14 -13.711 0.016 -10.037 111 H ARG 15 H ARG 15 -15.191 0.807 -5.558 112 HA ARG 15 HA ARG 15 -17.613 -0.575 -4.819 113 HB2 ARG 15 2HB ARG 15 -16.321 -1.496 -3.245 114 HB3 ARG 15 3HB ARG 15 -14.970 -0.608 -3.936 115 HG2 ARG 15 2HG ARG 15 -15.388 1.240 -2.401 116 HG3 ARG 15 3HG ARG 15 -16.758 0.363 -1.716 117 HD2 ARG 15 2HD ARG 15 -14.668 -1.448 -1.586 118 HD3 ARG 15 3HD ARG 15 -13.918 0.095 -1.180 119 HE ARG 15 HE ARG 15 -15.068 0.093 0.800 120 HH11 ARG 15 1HH1 ARG 15 -16.478 -2.260 -1.344 121 HH12 ARG 15 2HH1 ARG 15 -17.525 -2.927 -0.135 122 HH21 ARG 15 1HH2 ARG 15 -16.442 -0.776 2.400 123 HH22 ARG 15 2HH2 ARG 15 -17.504 -2.081 1.994 124 H CYS 16 H CYS 16 -16.088 2.530 -4.127 125 HA CYS 16 HA CYS 16 -18.204 3.305 -2.307 126 HB2 CYS 16 2HB CYS 16 -15.865 4.883 -3.399 127 HB3 CYS 16 3HB CYS 16 -16.961 5.433 -2.138 128 HG CYS 16 HG CYS 16 -14.434 3.205 -1.957 129 H ALA 17 H ALA 17 -17.212 3.932 -5.614 130 HA ALA 17 HA ALA 17 -18.893 6.121 -6.146 131 HB1 ALA 17 1HB ALA 17 -18.527 5.636 -8.484 132 HB2 ALA 17 2HB ALA 17 -17.020 5.427 -7.592 133 HB3 ALA 17 3HB ALA 17 -17.953 4.015 -8.088 134 H PHE 18 H PHE 18 -19.437 2.640 -6.310 135 HA PHE 18 HA PHE 18 -22.019 2.847 -7.515 136 HB2 PHE 18 2HB PHE 18 -20.390 0.822 -7.466 137 HB3 PHE 18 3HB PHE 18 -21.114 0.482 -5.898 138 HD1 PHE 18 HD1 PHE 18 -21.812 0.827 -9.503 139 HD2 PHE 18 HD2 PHE 18 -23.260 -0.488 -5.723 140 HE1 PHE 18 HE1 PHE 18 -23.676 -0.326 -10.622 141 HE2 PHE 18 HE2 PHE 18 -25.125 -1.644 -6.835 142 HZ PHE 18 HZ PHE 18 -25.334 -1.565 -9.288 143 H GLU 19 H GLU 19 -20.817 2.558 -4.215 144 HA GLU 19 HA GLU 19 -23.442 2.310 -3.069 145 HB2 GLU 19 2HB GLU 19 -21.749 1.275 -1.811 146 HB3 GLU 19 3HB GLU 19 -20.681 2.665 -1.939 147 HG2 GLU 19 2HG GLU 19 -21.634 3.737 -0.200 148 HG3 GLU 19 3HG GLU 19 -23.246 3.120 -0.560 149 H HIS 20 H HIS 20 -21.276 4.894 -3.880 150 HA HIS 20 HA HIS 20 -22.429 6.882 -2.202 151 HB2 HIS 20 2HB HIS 20 -20.153 7.061 -3.175 152 HB3 HIS 20 3HB HIS 20 -20.873 7.246 -4.771 153 HD1 HIS 20 HD1 HIS 20 -21.797 9.536 -5.387 154 HD2 HIS 20 HD2 HIS 20 -20.473 9.299 -1.456 155 HE1 HIS 20 HE1 HIS 20 -21.774 11.904 -4.541 156 H SER 21 H SER 21 -23.049 5.764 -5.476 157 HA SER 21 HA SER 21 -24.973 7.859 -5.998 158 HB2 SER 21 2HB SER 21 -24.388 5.366 -7.611 159 HB3 SER 21 3HB SER 21 -25.272 6.789 -8.160 160 HG SER 21 HG SER 21 -22.532 6.432 -7.757 161 H ARG 22 H ARG 22 -24.977 4.480 -5.058 162 HA ARG 22 HA ARG 22 -27.650 3.847 -5.502 163 HB2 ARG 22 2HB ARG 22 -25.613 2.418 -4.628 164 HB3 ARG 22 3HB ARG 22 -26.273 2.831 -3.052 165 HG2 ARG 22 2HG ARG 22 -28.452 1.887 -3.779 166 HG3 ARG 22 3HG ARG 22 -27.672 1.359 -5.271 167 HD2 ARG 22 2HD ARG 22 -27.095 -0.511 -4.217 168 HD3 ARG 22 3HD ARG 22 -26.010 0.458 -3.221 169 HE ARG 22 HE ARG 22 -27.486 0.267 -1.471 170 HH11 ARG 22 1HH1 ARG 22 -29.016 -0.799 -4.411 171 HH12 ARG 22 2HH1 ARG 22 -30.404 -1.451 -3.605 172 HH21 ARG 22 1HH2 ARG 22 -29.309 -0.587 -0.399 173 HH22 ARG 22 2HH2 ARG 22 -30.571 -1.329 -1.324 174 H ARG 23 H ARG 23 -26.121 5.418 -2.725 175 HA ARG 23 HA ARG 23 -28.322 5.489 -1.014 176 HB2 ARG 23 2HB ARG 23 -26.350 6.114 0.019 177 HB3 ARG 23 3HB ARG 23 -25.855 7.146 -1.316 178 HG2 ARG 23 2HG ARG 23 -27.055 8.935 -0.565 179 HG3 ARG 23 3HG ARG 23 -28.256 7.928 0.247 180 HD2 ARG 23 2HD ARG 23 -26.871 9.116 1.863 181 HD3 ARG 23 3HD ARG 23 -26.626 7.374 1.979 182 HE ARG 23 HE ARG 23 -24.680 8.322 0.262 183 HH11 ARG 23 1HH1 ARG 23 -25.616 8.798 3.581 184 HH12 ARG 23 2HH1 ARG 23 -24.008 9.152 4.120 185 HH21 ARG 23 1HH2 ARG 23 -22.558 8.787 0.960 186 HH22 ARG 23 2HH2 ARG 23 -22.269 9.146 2.628 187 H PHE 24 H PHE 24 -27.559 7.401 -3.817 188 HA PHE 24 HA PHE 24 -29.531 9.432 -3.246 189 HB2 PHE 24 2HB PHE 24 -27.386 9.816 -4.547 190 HB3 PHE 24 3HB PHE 24 -28.136 8.939 -5.877 191 HD1 PHE 24 HD1 PHE 24 -30.444 9.825 -6.667 192 HD2 PHE 24 HD2 PHE 24 -27.660 12.100 -4.388 193 HE1 PHE 24 HE1 PHE 24 -31.520 11.902 -7.432 194 HE2 PHE 24 HE2 PHE 24 -28.731 14.180 -5.149 195 HZ PHE 24 HZ PHE 24 -30.664 14.083 -6.672 196 H THR 25 H THR 25 -29.237 6.609 -5.342 197 HA THR 25 HA THR 25 -31.871 7.035 -6.480 198 HB THR 25 HB THR 25 -29.875 6.060 -7.753 199 HG1 THR 25 HG1 THR 25 -31.427 4.376 -8.684 200 HG21 THR 25 3HG2 THR 25 -29.800 4.268 -5.687 201 HG22 THR 25 1HG2 THR 25 -29.050 4.027 -7.265 202 HG23 THR 25 2HG2 THR 25 -30.647 3.355 -6.935 Start of MODEL 12 1 H1 GLN 1 H GLN 1 1.940 -0.518 0.644 2 HA GLN 1 HA GLN 1 3.362 0.312 -1.108 3 HB2 GLN 1 2HB GLN 1 1.460 -1.580 -2.479 4 HB3 GLN 1 3HB GLN 1 3.182 -1.377 -2.771 5 HG2 GLN 1 2HG GLN 1 1.878 -2.598 -0.352 6 HG3 GLN 1 3HG GLN 1 2.835 -3.420 -1.584 7 HE21 GLN 1 1HE2 GLN 1 4.949 -1.712 -1.866 8 HE22 GLN 1 2HE2 GLN 1 5.859 -1.660 -0.398 9 H ARG 2 H ARG 2 3.592 1.748 -2.728 10 HA ARG 2 HA ARG 2 1.309 3.305 -3.501 11 HB2 ARG 2 2HB ARG 2 4.068 3.524 -4.689 12 HB3 ARG 2 3HB ARG 2 2.846 4.779 -4.532 13 HG2 ARG 2 2HG ARG 2 3.371 5.219 -2.373 14 HG3 ARG 2 3HG ARG 2 3.835 3.551 -2.030 15 HD2 ARG 2 2HD ARG 2 5.888 4.562 -1.987 16 HD3 ARG 2 3HD ARG 2 5.799 4.102 -3.687 17 HE ARG 2 HE ARG 2 4.792 6.741 -3.131 18 HH11 ARG 2 1HH1 ARG 2 7.607 4.837 -3.889 19 HH12 ARG 2 2HH1 ARG 2 8.487 6.169 -4.562 20 HH21 ARG 2 1HH2 ARG 2 5.941 8.502 -4.015 21 HH22 ARG 2 2HH2 ARG 2 7.539 8.253 -4.633 22 H SER 3 H SER 3 3.499 1.042 -5.112 23 HA SER 3 HA SER 3 2.560 1.354 -7.726 24 HB2 SER 3 2HB SER 3 3.648 -1.155 -6.424 25 HB3 SER 3 3HB SER 3 3.534 -0.861 -8.159 26 HG SER 3 HG SER 3 4.839 1.151 -7.464 27 H ASN 4 H ASN 4 1.413 -0.698 -5.092 28 HA ASN 4 HA ASN 4 -0.610 -1.944 -6.725 29 HB2 ASN 4 2HB ASN 4 -0.152 -2.013 -3.734 30 HB3 ASN 4 3HB ASN 4 -1.327 -3.000 -4.598 31 HD21 ASN 4 1HD2 ASN 4 -0.638 -4.730 -5.809 32 HD22 ASN 4 2HD2 ASN 4 0.976 -5.342 -5.734 33 H PHE 5 H PHE 5 -0.324 0.912 -4.871 34 HA PHE 5 HA PHE 5 -3.014 1.264 -4.085 35 HB2 PHE 5 2HB PHE 5 -1.054 2.548 -3.189 36 HB3 PHE 5 3HB PHE 5 -1.001 3.431 -4.711 37 HD1 PHE 5 HD2 PHE 5 -3.622 2.461 -2.232 38 HD2 PHE 5 HD1 PHE 5 -1.891 5.533 -4.616 39 HE1 PHE 5 HE2 PHE 5 -5.266 4.066 -1.352 40 HE2 PHE 5 HE1 PHE 5 -3.531 7.143 -3.739 41 HZ PHE 5 HZ PHE 5 -5.223 6.410 -2.106 42 H HIS 6 H HIS 6 -1.240 2.125 -7.007 43 HA HIS 6 HA HIS 6 -3.145 3.753 -8.228 44 HB2 HIS 6 2HB HIS 6 -0.844 2.128 -9.143 45 HB3 HIS 6 3HB HIS 6 -2.031 2.547 -10.375 46 HD1 HIS 6 HD1 HIS 6 -2.614 5.280 -10.345 47 HD2 HIS 6 HD2 HIS 6 1.050 4.025 -8.843 48 HE1 HIS 6 HE1 HIS 6 -1.141 7.318 -10.374 49 HA PRO 7 HA PRO 7 -4.940 -0.212 -10.337 50 HB2 PRO 7 2HB PRO 7 -4.168 -2.609 -9.322 51 HB3 PRO 7 3HB PRO 7 -3.300 -1.795 -10.629 52 HG2 PRO 7 2HG PRO 7 -2.674 -1.876 -7.703 53 HG3 PRO 7 3HG PRO 7 -1.577 -2.035 -9.086 54 HD2 PRO 7 2HD PRO 7 -1.843 0.274 -7.697 55 HD3 PRO 7 3HD PRO 7 -1.483 0.242 -9.435 56 H LEU 8 H LEU 8 -4.366 -0.094 -6.898 57 HA LEU 8 HA LEU 8 -6.745 -1.577 -6.217 58 HB2 LEU 8 2HB LEU 8 -4.762 -1.640 -4.787 59 HB3 LEU 8 3HB LEU 8 -4.907 0.094 -4.507 60 HG LEU 8 HG LEU 8 -5.716 -1.546 -2.686 61 HD11 LEU 8 1HD1 LEU 8 -7.930 0.291 -3.174 62 HD12 LEU 8 2HD1 LEU 8 -6.341 1.041 -3.313 63 HD13 LEU 8 3HD1 LEU 8 -6.796 0.210 -1.826 64 HD21 LEU 8 3HD2 LEU 8 -7.143 -2.686 -4.626 65 HD22 LEU 8 1HD2 LEU 8 -8.330 -1.502 -4.077 66 HD23 LEU 8 2HD2 LEU 8 -7.667 -2.678 -2.941 67 H ALA 9 H ALA 9 -5.884 1.716 -6.809 68 HA ALA 9 HA ALA 9 -7.881 3.050 -5.370 69 HB1 ALA 9 1HB ALA 9 -6.503 3.785 -7.946 70 HB2 ALA 9 2HB ALA 9 -7.562 4.872 -7.047 71 HB3 ALA 9 3HB ALA 9 -6.068 4.289 -6.313 72 H ALA 10 H ALA 10 -7.914 1.637 -8.615 73 HA ALA 10 HA ALA 10 -10.450 2.574 -9.393 74 HB1 ALA 10 1HB ALA 10 -8.843 0.183 -10.263 75 HB2 ALA 10 2HB ALA 10 -10.377 0.637 -11.005 76 HB3 ALA 10 3HB ALA 10 -9.004 1.741 -11.074 77 H SER 11 H SER 11 -9.444 -0.424 -7.786 78 HA SER 11 HA SER 11 -11.976 -1.650 -7.739 79 HB2 SER 11 2HB SER 11 -9.593 -1.985 -5.904 80 HB3 SER 11 3HB SER 11 -11.011 -3.033 -5.885 81 HG SER 11 HG SER 11 -9.123 -3.702 -7.208 82 H PHE 12 H PHE 12 -10.310 0.382 -5.355 83 HA PHE 12 HA PHE 12 -12.418 0.281 -3.444 84 HB2 PHE 12 2HB PHE 12 -9.903 1.848 -3.770 85 HB3 PHE 12 3HB PHE 12 -11.122 2.465 -2.660 86 HD1 PHE 12 HD2 PHE 12 -10.437 -1.102 -3.306 87 HD2 PHE 12 HD1 PHE 12 -9.953 2.174 -0.632 88 HE1 PHE 12 HE2 PHE 12 -9.629 -2.644 -1.568 89 HE2 PHE 12 HE1 PHE 12 -9.143 0.637 1.110 90 HZ PHE 12 HZ PHE 12 -8.982 -1.776 0.644 91 H ILE 13 H ILE 13 -11.743 2.246 -6.221 92 HA ILE 13 HA ILE 13 -13.518 4.385 -5.524 93 HB ILE 13 HB ILE 13 -12.022 3.621 -7.998 94 HG12 ILE 13 2HG1 ILE 13 -10.934 4.936 -6.204 95 HG13 ILE 13 3HG1 ILE 13 -11.045 5.833 -7.715 96 HG21 ILE 13 1HG2 ILE 13 -14.306 5.567 -7.835 97 HG22 ILE 13 2HG2 ILE 13 -13.055 5.672 -9.073 98 HG23 ILE 13 3HG2 ILE 13 -14.078 4.238 -8.972 99 HD11 ILE 13 3HD1 ILE 13 -11.803 6.721 -5.227 100 HD12 ILE 13 1HD1 ILE 13 -12.249 7.441 -6.773 101 HD13 ILE 13 2HD1 ILE 13 -13.331 6.288 -5.992 102 H VAL 14 H VAL 14 -13.728 1.491 -7.543 103 HA VAL 14 HA VAL 14 -16.330 2.051 -8.554 104 HB VAL 14 HB VAL 14 -14.879 -0.592 -8.360 105 HG11 VAL 14 1HG1 VAL 14 -17.527 0.163 -9.359 106 HG12 VAL 14 2HG1 VAL 14 -16.557 -0.773 -10.498 107 HG13 VAL 14 3HG1 VAL 14 -16.897 -1.416 -8.891 108 HG21 VAL 14 3HG2 VAL 14 -14.354 1.684 -9.943 109 HG22 VAL 14 1HG2 VAL 14 -13.623 0.083 -10.061 110 HG23 VAL 14 2HG2 VAL 14 -15.061 0.468 -11.007 111 H ARG 15 H ARG 15 -15.146 0.762 -5.597 112 HA ARG 15 HA ARG 15 -17.571 -0.638 -4.903 113 HB2 ARG 15 2HB ARG 15 -16.289 -1.589 -3.338 114 HB3 ARG 15 3HB ARG 15 -14.934 -0.685 -4.002 115 HG2 ARG 15 2HG ARG 15 -15.366 1.131 -2.433 116 HG3 ARG 15 3HG ARG 15 -16.739 0.239 -1.776 117 HD2 ARG 15 2HD ARG 15 -13.820 -0.478 -1.642 118 HD3 ARG 15 3HD ARG 15 -14.915 -0.128 -0.305 119 HE ARG 15 HE ARG 15 -14.616 -2.629 -1.696 120 HH11 ARG 15 1HH1 ARG 15 -16.716 -0.664 0.265 121 HH12 ARG 15 2HH1 ARG 15 -17.629 -2.009 0.866 122 HH21 ARG 15 1HH2 ARG 15 -15.810 -4.408 -0.912 123 HH22 ARG 15 2HH2 ARG 15 -17.112 -4.138 0.196 124 H CYS 16 H CYS 16 -16.056 2.455 -4.138 125 HA CYS 16 HA CYS 16 -18.185 3.190 -2.318 126 HB2 CYS 16 2HB CYS 16 -15.841 4.793 -3.361 127 HB3 CYS 16 3HB CYS 16 -16.947 5.316 -2.097 128 HG CYS 16 HG CYS 16 -15.743 4.177 -0.131 129 H ALA 17 H ALA 17 -17.171 3.885 -5.604 130 HA ALA 17 HA ALA 17 -18.852 6.082 -6.103 131 HB1 ALA 17 1HB ALA 17 -16.968 5.420 -7.549 132 HB2 ALA 17 2HB ALA 17 -17.895 4.017 -8.081 133 HB3 ALA 17 3HB ALA 17 -18.468 5.643 -8.449 134 H PHE 18 H PHE 18 -19.389 2.604 -6.342 135 HA PHE 18 HA PHE 18 -21.964 2.832 -7.560 136 HB2 PHE 18 2HB PHE 18 -20.332 0.809 -7.540 137 HB3 PHE 18 3HB PHE 18 -21.067 0.436 -5.984 138 HD1 PHE 18 HD2 PHE 18 -22.364 1.576 -9.296 139 HD2 PHE 18 HD1 PHE 18 -22.586 -1.265 -6.135 140 HE1 PHE 18 HE2 PHE 18 -24.219 0.444 -10.449 141 HE2 PHE 18 HE1 PHE 18 -24.441 -2.403 -7.283 142 HZ PHE 18 HZ PHE 18 -25.260 -1.548 -9.443 143 H GLU 19 H GLU 19 -20.784 2.478 -4.258 144 HA GLU 19 HA GLU 19 -23.417 2.204 -3.135 145 HB2 GLU 19 2HB GLU 19 -21.731 1.146 -1.886 146 HB3 GLU 19 3HB GLU 19 -20.664 2.540 -1.979 147 HG2 GLU 19 2HG GLU 19 -21.631 3.575 -0.226 148 HG3 GLU 19 3HG GLU 19 -23.239 2.964 -0.609 149 H HIS 20 H HIS 20 -21.249 4.806 -3.879 150 HA HIS 20 HA HIS 20 -22.416 6.759 -2.170 151 HB2 HIS 20 2HB HIS 20 -20.133 6.960 -3.124 152 HB3 HIS 20 3HB HIS 20 -20.843 7.177 -4.721 153 HD1 HIS 20 HD1 HIS 20 -19.911 9.545 -5.003 154 HD2 HIS 20 HD2 HIS 20 -22.333 9.094 -1.658 155 HE1 HIS 20 HE1 HIS 20 -20.369 11.879 -4.185 156 H SER 21 H SER 21 -23.012 5.706 -5.470 157 HA SER 21 HA SER 21 -24.935 7.809 -5.963 158 HB2 SER 21 2HB SER 21 -24.335 5.349 -7.622 159 HB3 SER 21 3HB SER 21 -25.218 6.782 -8.148 160 HG SER 21 HG SER 21 -22.638 7.125 -7.135 161 H ARG 22 H ARG 22 -24.941 4.411 -5.092 162 HA ARG 22 HA ARG 22 -27.610 3.784 -5.567 163 HB2 ARG 22 2HB ARG 22 -25.577 2.340 -4.708 164 HB3 ARG 22 3HB ARG 22 -26.248 2.721 -3.128 165 HG2 ARG 22 2HG ARG 22 -28.421 1.790 -3.889 166 HG3 ARG 22 3HG ARG 22 -27.630 1.291 -5.386 167 HD2 ARG 22 2HD ARG 22 -26.693 -0.487 -4.413 168 HD3 ARG 22 3HD ARG 22 -26.167 0.455 -3.019 169 HE ARG 22 HE ARG 22 -28.430 -1.249 -3.156 170 HH11 ARG 22 1HH1 ARG 22 -27.307 1.746 -1.781 171 HH12 ARG 22 2HH1 ARG 22 -28.377 1.673 -0.420 172 HH21 ARG 22 1HH2 ARG 22 -29.843 -1.356 -1.368 173 HH22 ARG 22 2HH2 ARG 22 -29.818 -0.092 -0.186 174 H ARG 23 H ARG 23 -26.102 5.301 -2.748 175 HA ARG 23 HA ARG 23 -28.315 5.335 -1.052 176 HB2 ARG 23 2HB ARG 23 -26.352 5.941 0.007 177 HB3 ARG 23 3HB ARG 23 -25.848 7.000 -1.303 178 HG2 ARG 23 2HG ARG 23 -27.057 8.772 -0.525 179 HG3 ARG 23 3HG ARG 23 -28.261 7.748 0.258 180 HD2 ARG 23 2HD ARG 23 -26.232 7.069 1.777 181 HD3 ARG 23 3HD ARG 23 -25.575 8.610 1.226 182 HE ARG 23 HE ARG 23 -27.763 8.208 3.052 183 HH11 ARG 23 1HH1 ARG 23 -26.250 10.405 0.816 184 HH12 ARG 23 2HH1 ARG 23 -26.932 11.821 1.543 185 HH21 ARG 23 1HH2 ARG 23 -28.668 10.065 4.019 186 HH22 ARG 23 2HH2 ARG 23 -28.306 11.627 3.366 187 H PHE 24 H PHE 24 -27.536 7.304 -3.810 188 HA PHE 24 HA PHE 24 -29.515 9.320 -3.212 189 HB2 PHE 24 2HB PHE 24 -27.361 9.734 -4.490 190 HB3 PHE 24 3HB PHE 24 -28.099 8.881 -5.842 191 HD1 PHE 24 HD2 PHE 24 -30.354 9.784 -6.692 192 HD2 PHE 24 HD1 PHE 24 -27.692 12.008 -4.226 193 HE1 PHE 24 HE2 PHE 24 -31.427 11.874 -7.424 194 HE2 PHE 24 HE1 PHE 24 -28.761 14.102 -4.953 195 HZ PHE 24 HZ PHE 24 -30.630 14.036 -6.555 196 H THR 25 H THR 25 -29.201 6.540 -5.362 197 HA THR 25 HA THR 25 -31.829 6.985 -6.510 198 HB THR 25 HB THR 25 -29.823 6.040 -7.789 199 HG1 THR 25 HG1 THR 25 -32.438 4.986 -7.775 200 HG21 THR 25 3HG2 THR 25 -30.595 3.317 -7.031 201 HG22 THR 25 1HG2 THR 25 -29.759 4.206 -5.758 202 HG23 THR 25 2HG2 THR 25 -28.997 3.998 -7.336 Start of MODEL 13 1 H1 GLN 1 H GLN 1 4.569 -0.482 -1.759 2 HA GLN 1 HA GLN 1 2.397 -0.990 -2.220 3 HB2 GLN 1 2HB GLN 1 2.412 -0.393 0.298 4 HB3 GLN 1 3HB GLN 1 1.602 1.086 -0.200 5 HG2 GLN 1 2HG GLN 1 -0.205 -0.206 0.264 6 HG3 GLN 1 3HG GLN 1 0.011 -0.602 -1.440 7 HE21 GLN 1 1HE2 GLN 1 1.047 -2.587 -1.979 8 HE22 GLN 1 2HE2 GLN 1 1.009 -3.920 -0.881 9 H ARG 2 H ARG 2 3.708 1.744 -3.191 10 HA ARG 2 HA ARG 2 1.405 3.298 -3.911 11 HB2 ARG 2 2HB ARG 2 4.137 3.526 -5.157 12 HB3 ARG 2 3HB ARG 2 2.916 4.778 -4.972 13 HG2 ARG 2 2HG ARG 2 3.487 5.214 -2.824 14 HG3 ARG 2 3HG ARG 2 3.962 3.547 -2.495 15 HD2 ARG 2 2HD ARG 2 5.952 3.963 -4.005 16 HD3 ARG 2 3HD ARG 2 5.519 5.671 -3.948 17 HE ARG 2 HE ARG 2 6.791 4.142 -1.886 18 HH11 ARG 2 1HH1 ARG 2 4.751 6.887 -2.536 19 HH12 ARG 2 2HH1 ARG 2 5.179 7.716 -1.076 20 HH21 ARG 2 1HH2 ARG 2 7.363 5.223 0.039 21 HH22 ARG 2 2HH2 ARG 2 6.666 6.769 0.388 22 H SER 3 H SER 3 3.565 1.043 -5.574 23 HA SER 3 HA SER 3 2.569 1.358 -8.165 24 HB2 SER 3 2HB SER 3 4.643 0.078 -7.457 25 HB3 SER 3 3HB SER 3 3.571 -1.250 -7.014 26 HG SER 3 HG SER 3 4.011 -0.129 -9.574 27 H ASN 4 H ASN 4 1.482 -0.700 -5.511 28 HA ASN 4 HA ASN 4 -0.573 -1.948 -7.103 29 HB2 ASN 4 2HB ASN 4 -0.051 -2.021 -4.123 30 HB3 ASN 4 3HB ASN 4 -1.243 -3.009 -4.963 31 HD21 ASN 4 1HD2 ASN 4 0.320 -4.508 -3.659 32 HD22 ASN 4 2HD2 ASN 4 1.589 -5.204 -4.601 33 H PHE 5 H PHE 5 -0.253 0.905 -5.250 34 HA PHE 5 HA PHE 5 -2.926 1.252 -4.406 35 HB2 PHE 5 2HB PHE 5 -0.949 2.537 -3.550 36 HB3 PHE 5 3HB PHE 5 -0.931 3.424 -5.071 37 HD1 PHE 5 HD2 PHE 5 -3.681 2.389 -2.772 38 HD2 PHE 5 HD1 PHE 5 -1.638 5.576 -4.717 39 HE1 PHE 5 HE2 PHE 5 -5.308 3.989 -1.853 40 HE2 PHE 5 HE1 PHE 5 -3.262 7.181 -3.800 41 HZ PHE 5 HZ PHE 5 -5.101 6.388 -2.367 42 H HIS 6 H HIS 6 -1.216 2.122 -7.364 43 HA HIS 6 HA HIS 6 -3.150 3.748 -8.540 44 HB2 HIS 6 2HB HIS 6 -0.866 2.130 -9.507 45 HB3 HIS 6 3HB HIS 6 -2.080 2.549 -10.713 46 HD1 HIS 6 HD1 HIS 6 1.013 3.702 -9.811 47 HD2 HIS 6 HD2 HIS 6 -2.664 5.615 -10.103 48 HE1 HIS 6 HE1 HIS 6 1.545 6.145 -10.086 49 HA PRO 7 HA PRO 7 -4.982 -0.216 -10.619 50 HB2 PRO 7 2HB PRO 7 -4.184 -2.613 -9.625 51 HB3 PRO 7 3HB PRO 7 -3.346 -1.795 -10.949 52 HG2 PRO 7 2HG PRO 7 -2.658 -1.880 -8.037 53 HG3 PRO 7 3HG PRO 7 -1.590 -2.035 -9.444 54 HD2 PRO 7 2HD PRO 7 -1.831 0.271 -8.044 55 HD3 PRO 7 3HD PRO 7 -1.508 0.243 -9.789 56 H LEU 8 H LEU 8 -4.335 -0.103 -7.193 57 HA LEU 8 HA LEU 8 -6.696 -1.592 -6.464 58 HB2 LEU 8 2HB LEU 8 -4.683 -1.654 -5.076 59 HB3 LEU 8 3HB LEU 8 -4.826 0.079 -4.789 60 HG LEU 8 HG LEU 8 -5.592 -1.567 -2.955 61 HD11 LEU 8 1HD1 LEU 8 -6.658 0.185 -2.070 62 HD12 LEU 8 2HD1 LEU 8 -7.821 0.266 -3.392 63 HD13 LEU 8 3HD1 LEU 8 -6.237 1.021 -3.565 64 HD21 LEU 8 3HD2 LEU 8 -7.546 -2.702 -3.173 65 HD22 LEU 8 1HD2 LEU 8 -7.057 -2.706 -4.867 66 HD23 LEU 8 2HD2 LEU 8 -8.236 -1.526 -4.293 67 H ALA 9 H ALA 9 -5.854 1.703 -7.067 68 HA ALA 9 HA ALA 9 -7.822 3.031 -5.583 69 HB1 ALA 9 1HB ALA 9 -6.032 4.275 -6.561 70 HB2 ALA 9 2HB ALA 9 -6.501 3.775 -8.186 71 HB3 ALA 9 3HB ALA 9 -7.542 4.857 -7.262 72 H ALA 10 H ALA 10 -7.922 1.625 -8.829 73 HA ALA 10 HA ALA 10 -10.476 2.558 -9.551 74 HB1 ALA 10 1HB ALA 10 -10.435 0.626 -11.169 75 HB2 ALA 10 2HB ALA 10 -9.064 1.732 -11.265 76 HB3 ALA 10 3HB ALA 10 -8.884 0.172 -10.461 77 H SER 11 H SER 11 -9.430 -0.440 -7.972 78 HA SER 11 HA SER 11 -11.958 -1.671 -7.874 79 HB2 SER 11 2HB SER 11 -9.535 -2.006 -6.092 80 HB3 SER 11 3HB SER 11 -10.951 -3.056 -6.042 81 HG SER 11 HG SER 11 -8.879 -3.322 -7.589 82 H PHE 12 H PHE 12 -10.246 0.359 -5.521 83 HA PHE 12 HA PHE 12 -12.313 0.250 -3.566 84 HB2 PHE 12 2HB PHE 12 -9.807 1.823 -3.943 85 HB3 PHE 12 3HB PHE 12 -11.004 2.436 -2.806 86 HD1 PHE 12 HD2 PHE 12 -10.329 -1.129 -3.472 87 HD2 PHE 12 HD1 PHE 12 -9.789 2.143 -0.805 88 HE1 PHE 12 HE2 PHE 12 -9.482 -2.673 -1.755 89 HE2 PHE 12 HE1 PHE 12 -8.940 0.604 0.917 90 HZ PHE 12 HZ PHE 12 -8.787 -1.808 0.443 91 H ILE 13 H ILE 13 -11.700 2.222 -6.353 92 HA ILE 13 HA ILE 13 -13.464 4.357 -5.615 93 HB ILE 13 HB ILE 13 -12.020 3.600 -8.122 94 HG12 ILE 13 2HG1 ILE 13 -10.896 4.914 -6.348 95 HG13 ILE 13 3HG1 ILE 13 -11.040 5.813 -7.855 96 HG21 ILE 13 1HG2 ILE 13 -14.303 5.542 -7.906 97 HG22 ILE 13 2HG2 ILE 13 -13.079 5.651 -9.170 98 HG23 ILE 13 3HG2 ILE 13 -14.097 4.216 -9.050 99 HD11 ILE 13 3HD1 ILE 13 -13.291 6.260 -6.085 100 HD12 ILE 13 1HD1 ILE 13 -11.748 6.695 -5.349 101 HD13 ILE 13 2HD1 ILE 13 -12.228 7.417 -6.886 102 H VAL 14 H VAL 14 -13.711 1.466 -7.634 103 HA VAL 14 HA VAL 14 -16.336 2.024 -8.588 104 HB VAL 14 HB VAL 14 -14.876 -0.617 -8.430 105 HG11 VAL 14 1HG1 VAL 14 -17.104 -1.206 -8.728 106 HG12 VAL 14 2HG1 VAL 14 -17.450 0.213 -9.718 107 HG13 VAL 14 3HG1 VAL 14 -16.494 -1.114 -10.380 108 HG21 VAL 14 3HG2 VAL 14 -14.317 1.640 -9.977 109 HG22 VAL 14 1HG2 VAL 14 -13.696 0.006 -10.209 110 HG23 VAL 14 2HG2 VAL 14 -15.150 0.527 -11.061 111 H ARG 15 H ARG 15 -15.087 0.731 -5.659 112 HA ARG 15 HA ARG 15 -17.494 -0.675 -4.917 113 HB2 ARG 15 2HB ARG 15 -16.177 -1.626 -3.382 114 HB3 ARG 15 3HB ARG 15 -14.838 -0.719 -4.072 115 HG2 ARG 15 2HG ARG 15 -15.239 1.094 -2.491 116 HG3 ARG 15 3HG ARG 15 -16.597 0.198 -1.806 117 HD2 ARG 15 2HD ARG 15 -14.075 -1.298 -1.938 118 HD3 ARG 15 3HD ARG 15 -14.041 0.108 -0.875 119 HE ARG 15 HE ARG 15 -15.505 -2.340 -0.475 120 HH11 ARG 15 1HH1 ARG 15 -15.260 1.036 0.338 121 HH12 ARG 15 2HH1 ARG 15 -16.107 0.870 1.840 122 HH21 ARG 15 1HH2 ARG 15 -16.622 -2.572 1.501 123 HH22 ARG 15 2HH2 ARG 15 -16.881 -1.183 2.501 124 H CYS 16 H CYS 16 -15.968 2.419 -4.178 125 HA CYS 16 HA CYS 16 -18.059 3.147 -2.311 126 HB2 CYS 16 2HB CYS 16 -15.740 4.756 -3.402 127 HB3 CYS 16 3HB CYS 16 -16.820 5.275 -2.113 128 HG CYS 16 HG CYS 16 -14.036 3.711 -1.812 129 H ALA 17 H ALA 17 -17.117 3.850 -5.618 130 HA ALA 17 HA ALA 17 -18.812 6.045 -6.076 131 HB1 ALA 17 1HB ALA 17 -16.958 5.389 -7.563 132 HB2 ALA 17 2HB ALA 17 -17.893 3.985 -8.078 133 HB3 ALA 17 3HB ALA 17 -18.478 5.611 -8.430 134 H PHE 18 H PHE 18 -19.348 2.567 -6.310 135 HA PHE 18 HA PHE 18 -21.948 2.792 -7.472 136 HB2 PHE 18 2HB PHE 18 -20.313 0.772 -7.491 137 HB3 PHE 18 3HB PHE 18 -21.014 0.395 -5.921 138 HD1 PHE 18 HD1 PHE 18 -23.615 0.283 -5.842 139 HD2 PHE 18 HD2 PHE 18 -21.303 -0.053 -9.400 140 HE1 PHE 18 HE1 PHE 18 -25.494 -0.853 -6.952 141 HE2 PHE 18 HE2 PHE 18 -23.178 -1.189 -10.516 142 HZ PHE 18 HZ PHE 18 -25.277 -1.590 -9.292 143 H GLU 19 H GLU 19 -20.698 2.434 -4.197 144 HA GLU 19 HA GLU 19 -23.306 2.153 -3.019 145 HB2 GLU 19 2HB GLU 19 -21.592 1.096 -1.808 146 HB3 GLU 19 3HB GLU 19 -20.529 2.491 -1.922 147 HG2 GLU 19 2HG GLU 19 -21.460 3.523 -0.147 148 HG3 GLU 19 3HG GLU 19 -23.075 2.909 -0.496 149 H HIS 20 H HIS 20 -21.158 4.761 -3.804 150 HA HIS 20 HA HIS 20 -22.292 6.709 -2.066 151 HB2 HIS 20 2HB HIS 20 -20.030 6.915 -3.068 152 HB3 HIS 20 3HB HIS 20 -20.774 7.134 -4.649 153 HD1 HIS 20 HD1 HIS 20 -22.499 9.303 -4.707 154 HD2 HIS 20 HD2 HIS 20 -19.542 9.245 -1.790 155 HE1 HIS 20 HE1 HIS 20 -22.270 11.685 -3.935 156 H SER 21 H SER 21 -22.956 5.661 -5.355 157 HA SER 21 HA SER 21 -24.892 7.761 -5.804 158 HB2 SER 21 2HB SER 21 -24.324 5.305 -7.479 159 HB3 SER 21 3HB SER 21 -25.220 6.738 -7.984 160 HG SER 21 HG SER 21 -22.600 7.036 -7.036 161 H ARG 22 H ARG 22 -24.875 4.362 -4.938 162 HA ARG 22 HA ARG 22 -27.552 3.732 -5.358 163 HB2 ARG 22 2HB ARG 22 -25.499 2.289 -4.545 164 HB3 ARG 22 3HB ARG 22 -26.139 2.666 -2.950 165 HG2 ARG 22 2HG ARG 22 -28.324 1.731 -3.666 166 HG3 ARG 22 3HG ARG 22 -27.567 1.241 -5.183 167 HD2 ARG 22 2HD ARG 22 -26.025 -0.190 -3.999 168 HD3 ARG 22 3HD ARG 22 -26.638 0.379 -2.447 169 HE ARG 22 HE ARG 22 -27.788 -1.635 -4.115 170 HH11 ARG 22 1HH1 ARG 22 -28.515 0.837 -1.774 171 HH12 ARG 22 2HH1 ARG 22 -29.977 0.080 -1.236 172 HH21 ARG 22 1HH2 ARG 22 -29.712 -2.641 -3.415 173 HH22 ARG 22 2HH2 ARG 22 -30.657 -1.899 -2.169 174 H ARG 23 H ARG 23 -25.987 5.245 -2.568 175 HA ARG 23 HA ARG 23 -28.164 5.273 -0.826 176 HB2 ARG 23 2HB ARG 23 -26.176 5.877 0.191 177 HB3 ARG 23 3HB ARG 23 -25.706 6.944 -1.125 178 HG2 ARG 23 2HG ARG 23 -26.901 8.709 -0.311 179 HG3 ARG 23 3HG ARG 23 -28.085 7.677 0.494 180 HD2 ARG 23 2HD ARG 23 -26.482 7.117 2.215 181 HD3 ARG 23 3HD ARG 23 -25.224 8.026 1.378 182 HE ARG 23 HE ARG 23 -27.219 9.075 3.118 183 HH11 ARG 23 1HH1 ARG 23 -25.317 9.801 0.293 184 HH12 ARG 23 2HH1 ARG 23 -25.373 11.515 0.536 185 HH21 ARG 23 1HH2 ARG 23 -27.300 11.330 3.448 186 HH22 ARG 23 2HH2 ARG 23 -26.501 12.384 2.331 187 H PHE 24 H PHE 24 -27.448 7.244 -3.598 188 HA PHE 24 HA PHE 24 -29.409 9.263 -2.954 189 HB2 PHE 24 2HB PHE 24 -27.287 9.671 -4.287 190 HB3 PHE 24 3HB PHE 24 -28.062 8.819 -5.619 191 HD1 PHE 24 HD2 PHE 24 -30.344 9.724 -6.401 192 HD2 PHE 24 HD1 PHE 24 -27.598 11.947 -4.028 193 HE1 PHE 24 HE2 PHE 24 -31.432 11.815 -7.108 194 HE2 PHE 24 HE1 PHE 24 -28.682 14.042 -4.730 195 HZ PHE 24 HZ PHE 24 -30.600 13.977 -6.273 196 H THR 25 H THR 25 -29.155 6.480 -5.108 197 HA THR 25 HA THR 25 -31.812 6.928 -6.185 198 HB THR 25 HB THR 25 -29.837 5.984 -7.517 199 HG1 THR 25 HG1 THR 25 -32.210 4.413 -7.564 200 HG21 THR 25 3HG2 THR 25 -29.468 4.238 -5.596 201 HG22 THR 25 1HG2 THR 25 -29.188 3.783 -7.276 202 HG23 THR 25 2HG2 THR 25 -30.689 3.317 -6.474 Start of MODEL 14 1 H1 GLN 1 H GLN 1 1.985 -0.021 0.630 2 HA GLN 1 HA GLN 1 3.277 0.425 -1.304 3 HB2 GLN 1 2HB GLN 1 1.202 -1.685 -1.672 4 HB3 GLN 1 3HB GLN 1 2.206 -1.258 -3.051 5 HG2 GLN 1 2HG GLN 1 3.363 -2.004 -0.385 6 HG3 GLN 1 3HG GLN 1 2.981 -3.197 -1.625 7 HE21 GLN 1 1HE2 GLN 1 5.480 -1.779 -0.338 8 HE22 GLN 1 2HE2 GLN 1 6.507 -1.553 -1.709 9 H ARG 2 H ARG 2 3.481 1.805 -2.949 10 HA ARG 2 HA ARG 2 1.211 3.342 -3.798 11 HB2 ARG 2 2HB ARG 2 3.959 3.445 -5.025 12 HB3 ARG 2 3HB ARG 2 2.756 4.725 -4.937 13 HG2 ARG 2 2HG ARG 2 3.312 5.294 -2.816 14 HG3 ARG 2 3HG ARG 2 3.756 3.645 -2.371 15 HD2 ARG 2 2HD ARG 2 5.769 3.930 -3.884 16 HD3 ARG 2 3HD ARG 2 5.363 5.644 -3.943 17 HE ARG 2 HE ARG 2 6.592 4.237 -1.774 18 HH11 ARG 2 1HH1 ARG 2 4.590 6.957 -2.617 19 HH12 ARG 2 2HH1 ARG 2 5.013 7.872 -1.207 20 HH21 ARG 2 1HH2 ARG 2 7.157 5.431 0.086 21 HH22 ARG 2 2HH2 ARG 2 6.474 7.003 0.329 22 H SER 3 H SER 3 3.352 0.949 -5.283 23 HA SER 3 HA SER 3 2.388 1.106 -7.901 24 HB2 SER 3 2HB SER 3 4.434 -0.156 -7.086 25 HB3 SER 3 3HB SER 3 3.337 -1.435 -6.568 26 HG SER 3 HG SER 3 4.187 -1.776 -8.683 27 H ASN 4 H ASN 4 1.241 -0.755 -5.128 28 HA ASN 4 HA ASN 4 -0.817 -2.073 -6.658 29 HB2 ASN 4 2HB ASN 4 -0.328 -1.957 -3.674 30 HB3 ASN 4 3HB ASN 4 -1.526 -2.980 -4.460 31 HD21 ASN 4 1HD2 ASN 4 -0.812 -4.690 -5.790 32 HD22 ASN 4 2HD2 ASN 4 0.770 -5.360 -5.605 33 H PHE 5 H PHE 5 -0.471 0.891 -4.994 34 HA PHE 5 HA PHE 5 -3.146 1.333 -4.205 35 HB2 PHE 5 2HB PHE 5 -1.158 2.642 -3.414 36 HB3 PHE 5 3HB PHE 5 -1.111 3.426 -4.989 37 HD1 PHE 5 HD2 PHE 5 -3.677 2.670 -2.382 38 HD2 PHE 5 HD1 PHE 5 -2.009 5.525 -5.062 39 HE1 PHE 5 HE2 PHE 5 -5.288 4.351 -1.588 40 HE2 PHE 5 HE1 PHE 5 -3.617 7.211 -4.271 41 HZ PHE 5 HZ PHE 5 -5.260 6.625 -2.533 42 H HIS 6 H HIS 6 -1.392 1.979 -7.194 43 HA HIS 6 HA HIS 6 -3.287 3.553 -8.498 44 HB2 HIS 6 2HB HIS 6 -1.020 1.840 -9.330 45 HB3 HIS 6 3HB HIS 6 -2.214 2.197 -10.574 46 HD1 HIS 6 HD1 HIS 6 -0.935 3.848 -11.960 47 HD2 HIS 6 HD2 HIS 6 -0.926 4.814 -7.919 48 HE1 HIS 6 HE1 HIS 6 0.103 6.135 -11.817 49 HA PRO 7 HA PRO 7 -5.161 -0.511 -10.330 50 HB2 PRO 7 2HB PRO 7 -4.412 -2.849 -9.171 51 HB3 PRO 7 3HB PRO 7 -3.547 -2.133 -10.537 52 HG2 PRO 7 2HG PRO 7 -2.891 -2.036 -7.618 53 HG3 PRO 7 3HG PRO 7 -1.811 -2.300 -8.999 54 HD2 PRO 7 2HD PRO 7 -2.029 0.097 -7.758 55 HD3 PRO 7 3HD PRO 7 -1.689 -0.052 -9.494 56 H LEU 8 H LEU 8 -4.548 -0.181 -6.912 57 HA LEU 8 HA LEU 8 -6.940 -1.583 -6.114 58 HB2 LEU 8 2HB LEU 8 -4.944 -1.584 -4.702 59 HB3 LEU 8 3HB LEU 8 -5.061 0.166 -4.532 60 HG LEU 8 HG LEU 8 -5.873 -1.341 -2.602 61 HD11 LEU 8 1HD1 LEU 8 -6.918 0.483 -1.847 62 HD12 LEU 8 2HD1 LEU 8 -8.066 0.494 -3.185 63 HD13 LEU 8 3HD1 LEU 8 -6.468 1.210 -3.390 64 HD21 LEU 8 3HD2 LEU 8 -8.502 -1.347 -3.967 65 HD22 LEU 8 1HD2 LEU 8 -7.842 -2.457 -2.766 66 HD23 LEU 8 2HD2 LEU 8 -7.337 -2.581 -4.451 67 H ALA 9 H ALA 9 -6.039 1.652 -6.924 68 HA ALA 9 HA ALA 9 -8.001 3.105 -5.554 69 HB1 ALA 9 1HB ALA 9 -6.181 4.254 -6.591 70 HB2 ALA 9 2HB ALA 9 -6.641 3.655 -8.185 71 HB3 ALA 9 3HB ALA 9 -7.674 4.812 -7.346 72 H ALA 10 H ALA 10 -8.090 1.489 -8.701 73 HA ALA 10 HA ALA 10 -10.620 2.411 -9.512 74 HB1 ALA 10 1HB ALA 10 -9.204 1.453 -11.151 75 HB2 ALA 10 2HB ALA 10 -9.057 -0.053 -10.244 76 HB3 ALA 10 3HB ALA 10 -10.593 0.376 -10.998 77 H SER 11 H SER 11 -9.639 -0.492 -7.727 78 HA SER 11 HA SER 11 -12.188 -1.675 -7.576 79 HB2 SER 11 2HB SER 11 -9.790 -1.927 -5.747 80 HB3 SER 11 3HB SER 11 -11.223 -2.951 -5.647 81 HG SER 11 HG SER 11 -9.225 -3.551 -7.023 82 H PHE 12 H PHE 12 -10.468 0.481 -5.343 83 HA PHE 12 HA PHE 12 -12.557 0.533 -3.409 84 HB2 PHE 12 2HB PHE 12 -10.022 2.039 -3.860 85 HB3 PHE 12 3HB PHE 12 -11.221 2.744 -2.780 86 HD1 PHE 12 HD2 PHE 12 -10.594 -0.867 -3.203 87 HD2 PHE 12 HD1 PHE 12 -10.035 2.565 -0.749 88 HE1 PHE 12 HE2 PHE 12 -9.789 -2.307 -1.378 89 HE2 PHE 12 HE1 PHE 12 -9.228 1.131 1.080 90 HZ PHE 12 HZ PHE 12 -9.106 -1.309 0.768 91 H ILE 13 H ILE 13 -11.884 2.306 -6.313 92 HA ILE 13 HA ILE 13 -13.620 4.512 -5.737 93 HB ILE 13 HB ILE 13 -12.162 3.569 -8.172 94 HG12 ILE 13 2HG1 ILE 13 -11.036 4.980 -6.477 95 HG13 ILE 13 3HG1 ILE 13 -11.150 5.779 -8.041 96 HG21 ILE 13 1HG2 ILE 13 -14.416 5.555 -8.112 97 HG22 ILE 13 2HG2 ILE 13 -13.177 5.562 -9.366 98 HG23 ILE 13 3HG2 ILE 13 -14.219 4.153 -9.163 99 HD11 ILE 13 3HD1 ILE 13 -12.325 7.461 -7.198 100 HD12 ILE 13 1HD1 ILE 13 -13.411 6.377 -6.328 101 HD13 ILE 13 2HD1 ILE 13 -11.867 6.841 -5.612 102 H VAL 14 H VAL 14 -13.893 1.498 -7.565 103 HA VAL 14 HA VAL 14 -16.498 2.032 -8.583 104 HB VAL 14 HB VAL 14 -15.083 -0.615 -8.234 105 HG11 VAL 14 1HG1 VAL 14 -17.688 0.155 -9.427 106 HG12 VAL 14 2HG1 VAL 14 -16.729 -1.065 -10.267 107 HG13 VAL 14 3HG1 VAL 14 -17.217 -1.324 -8.592 108 HG21 VAL 14 3HG2 VAL 14 -14.532 1.544 -9.959 109 HG22 VAL 14 1HG2 VAL 14 -13.841 -0.078 -9.995 110 HG23 VAL 14 2HG2 VAL 14 -15.283 0.287 -10.942 111 H ARG 15 H ARG 15 -15.301 0.917 -5.561 112 HA ARG 15 HA ARG 15 -17.738 -0.399 -4.755 113 HB2 ARG 15 2HB ARG 15 -16.453 -1.267 -3.146 114 HB3 ARG 15 3HB ARG 15 -15.092 -0.428 -3.879 115 HG2 ARG 15 2HG ARG 15 -15.481 1.491 -2.426 116 HG3 ARG 15 3HG ARG 15 -16.860 0.663 -1.699 117 HD2 ARG 15 2HD ARG 15 -14.310 -0.822 -1.713 118 HD3 ARG 15 3HD ARG 15 -14.369 0.605 -0.679 119 HE ARG 15 HE ARG 15 -15.721 -1.888 -0.264 120 HH11 ARG 15 1HH1 ARG 15 -15.811 1.534 0.370 121 HH12 ARG 15 2HH1 ARG 15 -16.767 1.375 1.807 122 HH21 ARG 15 1HH2 ARG 15 -16.980 -2.110 1.626 123 HH22 ARG 15 2HH2 ARG 15 -17.430 -0.698 2.520 124 H CYS 16 H CYS 16 -16.170 2.713 -4.205 125 HA CYS 16 HA CYS 16 -18.269 3.595 -2.415 126 HB2 CYS 16 2HB CYS 16 -15.913 5.093 -3.583 127 HB3 CYS 16 3HB CYS 16 -16.998 5.712 -2.343 128 HG CYS 16 HG CYS 16 -14.503 3.455 -2.073 129 H ALA 17 H ALA 17 -17.281 4.063 -5.749 130 HA ALA 17 HA ALA 17 -18.935 6.248 -6.372 131 HB1 ALA 17 1HB ALA 17 -18.584 5.654 -8.688 132 HB2 ALA 17 2HB ALA 17 -17.077 5.466 -7.792 133 HB3 ALA 17 3HB ALA 17 -18.030 4.046 -8.222 134 H PHE 18 H PHE 18 -19.525 2.771 -6.382 135 HA PHE 18 HA PHE 18 -22.111 2.963 -7.583 136 HB2 PHE 18 2HB PHE 18 -20.506 0.921 -7.459 137 HB3 PHE 18 3HB PHE 18 -21.232 0.653 -5.877 138 HD1 PHE 18 HD1 PHE 18 -21.953 0.897 -9.490 139 HD2 PHE 18 HD2 PHE 18 -23.368 -0.313 -5.663 140 HE1 PHE 18 HE1 PHE 18 -23.835 -0.274 -10.560 141 HE2 PHE 18 HE2 PHE 18 -25.251 -1.486 -6.726 142 HZ PHE 18 HZ PHE 18 -25.486 -1.469 -9.177 143 H GLU 19 H GLU 19 -20.894 2.786 -4.280 144 HA GLU 19 HA GLU 19 -23.512 2.615 -3.108 145 HB2 GLU 19 2HB GLU 19 -21.821 1.622 -1.816 146 HB3 GLU 19 3HB GLU 19 -20.739 2.993 -2.014 147 HG2 GLU 19 2HG GLU 19 -21.666 4.152 -0.318 148 HG3 GLU 19 3HG GLU 19 -23.288 3.538 -0.638 149 H HIS 20 H HIS 20 -21.325 5.146 -4.035 150 HA HIS 20 HA HIS 20 -22.449 7.213 -2.438 151 HB2 HIS 20 2HB HIS 20 -20.183 7.332 -3.444 152 HB3 HIS 20 3HB HIS 20 -20.920 7.453 -5.038 153 HD1 HIS 20 HD1 HIS 20 -19.779 9.473 -2.248 154 HD2 HIS 20 HD2 HIS 20 -22.530 9.894 -5.333 155 HE1 HIS 20 HE1 HIS 20 -20.251 11.939 -2.397 156 H SER 21 H SER 21 -23.113 5.963 -5.656 157 HA SER 21 HA SER 21 -25.035 8.047 -6.236 158 HB2 SER 21 2HB SER 21 -24.463 5.499 -7.768 159 HB3 SER 21 3HB SER 21 -25.356 6.900 -8.357 160 HG SER 21 HG SER 21 -22.775 7.333 -7.403 161 H ARG 22 H ARG 22 -25.030 4.718 -5.145 162 HA ARG 22 HA ARG 22 -27.687 4.032 -5.561 163 HB2 ARG 22 2HB ARG 22 -25.631 2.704 -4.552 164 HB3 ARG 22 3HB ARG 22 -26.355 3.193 -3.026 165 HG2 ARG 22 2HG ARG 22 -28.479 2.151 -3.746 166 HG3 ARG 22 3HG ARG 22 -27.663 1.578 -5.202 167 HD2 ARG 22 2HD ARG 22 -27.717 -0.192 -3.566 168 HD3 ARG 22 3HD ARG 22 -26.056 0.358 -3.779 169 HE ARG 22 HE ARG 22 -27.440 1.635 -1.604 170 HH11 ARG 22 1HH1 ARG 22 -25.525 -1.105 -2.576 171 HH12 ARG 22 2HH1 ARG 22 -24.944 -1.432 -0.977 172 HH21 ARG 22 1HH2 ARG 22 -26.681 1.216 0.506 173 HH22 ARG 22 2HH2 ARG 22 -25.603 -0.111 0.775 174 H ARG 23 H ARG 23 -26.212 5.786 -2.862 175 HA ARG 23 HA ARG 23 -28.443 5.950 -1.198 176 HB2 ARG 23 2HB ARG 23 -26.437 8.177 -1.490 177 HB3 ARG 23 3HB ARG 23 -27.310 7.676 -0.048 178 HG2 ARG 23 2HG ARG 23 -25.878 5.423 -0.804 179 HG3 ARG 23 3HG ARG 23 -24.771 6.770 -1.078 180 HD2 ARG 23 2HD ARG 23 -24.317 6.483 1.113 181 HD3 ARG 23 3HD ARG 23 -25.766 7.465 1.322 182 HE ARG 23 HE ARG 23 -26.565 4.802 1.167 183 HH11 ARG 23 1HH1 ARG 23 -24.703 6.860 3.267 184 HH12 ARG 23 2HH1 ARG 23 -25.071 5.954 4.697 185 HH21 ARG 23 1HH2 ARG 23 -27.058 3.601 3.042 186 HH22 ARG 23 2HH2 ARG 23 -26.410 4.100 4.568 187 H PHE 24 H PHE 24 -27.633 7.703 -4.094 188 HA PHE 24 HA PHE 24 -29.636 9.743 -3.684 189 HB2 PHE 24 2HB PHE 24 -27.465 10.074 -4.957 190 HB3 PHE 24 3HB PHE 24 -28.176 9.115 -6.251 191 HD1 PHE 24 HD2 PHE 24 -30.038 9.976 -7.559 192 HD2 PHE 24 HD1 PHE 24 -28.199 12.315 -4.516 193 HE1 PHE 24 HE2 PHE 24 -31.113 11.995 -8.466 194 HE2 PHE 24 HE1 PHE 24 -29.272 14.338 -5.417 195 HZ PHE 24 HZ PHE 24 -30.730 14.180 -7.396 196 H THR 25 H THR 25 -29.270 6.806 -5.604 197 HA THR 25 HA THR 25 -31.881 7.140 -6.825 198 HB THR 25 HB THR 25 -29.848 6.113 -7.994 199 HG1 THR 25 HG1 THR 25 -31.290 4.485 -8.990 200 HG21 THR 25 3HG2 THR 25 -30.618 3.453 -7.038 201 HG22 THR 25 1HG2 THR 25 -29.806 4.443 -5.826 202 HG23 THR 25 2HG2 THR 25 -29.019 4.118 -7.371 Start of MODEL 15 1 H1 GLN 1 H GLN 1 4.368 -0.533 -1.137 2 HA GLN 1 HA GLN 1 2.246 -1.011 -1.963 3 HB2 GLN 1 2HB GLN 1 2.232 -0.391 0.561 4 HB3 GLN 1 3HB GLN 1 1.402 1.067 0.032 5 HG2 GLN 1 2HG GLN 1 -0.462 -0.119 0.275 6 HG3 GLN 1 3HG GLN 1 -0.009 -0.889 -1.245 7 HE21 GLN 1 1HE2 GLN 1 -0.070 -3.007 -1.205 8 HE22 GLN 1 2HE2 GLN 1 0.191 -4.014 0.174 9 H ARG 2 H ARG 2 3.583 1.718 -2.912 10 HA ARG 2 HA ARG 2 1.299 3.282 -3.669 11 HB2 ARG 2 2HB ARG 2 4.051 3.494 -4.874 12 HB3 ARG 2 3HB ARG 2 2.834 4.753 -4.708 13 HG2 ARG 2 2HG ARG 2 3.375 5.189 -2.552 14 HG3 ARG 2 3HG ARG 2 3.835 3.519 -2.214 15 HD2 ARG 2 2HD ARG 2 5.891 4.527 -2.183 16 HD3 ARG 2 3HD ARG 2 5.791 4.064 -3.881 17 HE ARG 2 HE ARG 2 4.736 6.589 -3.769 18 HH11 ARG 2 1HH1 ARG 2 7.761 5.113 -2.882 19 HH12 ARG 2 2HH1 ARG 2 8.693 6.545 -3.168 20 HH21 ARG 2 1HH2 ARG 2 5.952 8.480 -4.150 21 HH22 ARG 2 2HH2 ARG 2 7.663 8.460 -3.889 22 H SER 3 H SER 3 3.472 1.014 -5.297 23 HA SER 3 HA SER 3 2.517 1.333 -7.904 24 HB2 SER 3 2HB SER 3 3.606 -1.181 -6.612 25 HB3 SER 3 3HB SER 3 3.481 -0.884 -8.346 26 HG SER 3 HG SER 3 4.787 1.140 -7.596 27 H ASN 4 H ASN 4 1.381 -0.719 -5.265 28 HA ASN 4 HA ASN 4 -0.657 -1.958 -6.886 29 HB2 ASN 4 2HB ASN 4 -0.179 -2.031 -3.898 30 HB3 ASN 4 3HB ASN 4 -1.363 -3.014 -4.755 31 HD21 ASN 4 1HD2 ASN 4 0.367 -4.355 -3.302 32 HD22 ASN 4 2HD2 ASN 4 1.572 -5.122 -4.274 33 H PHE 5 H PHE 5 -0.350 0.895 -5.031 34 HA PHE 5 HA PHE 5 -3.033 1.255 -4.226 35 HB2 PHE 5 2HB PHE 5 -1.064 2.531 -3.342 36 HB3 PHE 5 3HB PHE 5 -1.018 3.417 -4.863 37 HD1 PHE 5 HD2 PHE 5 -3.277 2.612 -2.021 38 HD2 PHE 5 HD1 PHE 5 -2.250 5.359 -5.106 39 HE1 PHE 5 HE2 PHE 5 -4.910 4.221 -1.127 40 HE2 PHE 5 HE1 PHE 5 -3.881 6.973 -4.217 41 HZ PHE 5 HZ PHE 5 -5.214 6.404 -2.226 42 H HIS 6 H HIS 6 -1.276 2.114 -7.159 43 HA HIS 6 HA HIS 6 -3.185 3.749 -8.365 44 HB2 HIS 6 2HB HIS 6 -0.895 2.119 -9.297 45 HB3 HIS 6 3HB HIS 6 -2.089 2.543 -10.521 46 HD1 HIS 6 HD1 HIS 6 0.934 3.649 -10.177 47 HD2 HIS 6 HD2 HIS 6 -2.606 5.645 -9.317 48 HE1 HIS 6 HE1 HIS 6 1.498 6.097 -10.292 49 HA PRO 7 HA PRO 7 -5.005 -0.208 -10.467 50 HB2 PRO 7 2HB PRO 7 -4.234 -2.608 -9.460 51 HB3 PRO 7 3HB PRO 7 -3.372 -1.795 -10.772 52 HG2 PRO 7 2HG PRO 7 -2.727 -1.881 -7.850 53 HG3 PRO 7 3HG PRO 7 -1.639 -2.042 -9.241 54 HD2 PRO 7 2HD PRO 7 -1.890 0.265 -7.847 55 HD3 PRO 7 3HD PRO 7 -1.541 0.235 -9.587 56 H LEU 8 H LEU 8 -4.408 -0.095 -7.032 57 HA LEU 8 HA LEU 8 -6.787 -1.573 -6.337 58 HB2 LEU 8 2HB LEU 8 -4.795 -1.644 -4.920 59 HB3 LEU 8 3HB LEU 8 -4.933 0.090 -4.637 60 HG LEU 8 HG LEU 8 -5.735 -1.550 -2.812 61 HD11 LEU 8 1HD1 LEU 8 -7.946 0.296 -3.283 62 HD12 LEU 8 2HD1 LEU 8 -6.355 1.041 -3.432 63 HD13 LEU 8 3HD1 LEU 8 -6.803 0.209 -1.943 64 HD21 LEU 8 3HD2 LEU 8 -8.358 -1.496 -4.187 65 HD22 LEU 8 1HD2 LEU 8 -7.690 -2.675 -3.057 66 HD23 LEU 8 2HD2 LEU 8 -7.177 -2.683 -4.745 67 H ALA 9 H ALA 9 -5.920 1.718 -6.931 68 HA ALA 9 HA ALA 9 -7.903 3.056 -5.476 69 HB1 ALA 9 1HB ALA 9 -6.093 4.291 -6.429 70 HB2 ALA 9 2HB ALA 9 -6.541 3.792 -8.060 71 HB3 ALA 9 3HB ALA 9 -7.590 4.879 -7.152 72 H ALA 10 H ALA 10 -7.963 1.648 -8.722 73 HA ALA 10 HA ALA 10 -10.501 2.593 -9.482 74 HB1 ALA 10 1HB ALA 10 -10.446 0.658 -11.097 75 HB2 ALA 10 2HB ALA 10 -9.069 1.759 -11.175 76 HB3 ALA 10 3HB ALA 10 -8.907 0.199 -10.367 77 H SER 11 H SER 11 -9.493 -0.409 -7.886 78 HA SER 11 HA SER 11 -12.028 -1.628 -7.823 79 HB2 SER 11 2HB SER 11 -9.633 -1.973 -6.006 80 HB3 SER 11 3HB SER 11 -11.055 -3.016 -5.977 81 HG SER 11 HG SER 11 -9.518 -2.565 -8.313 82 H PHE 12 H PHE 12 -10.340 0.396 -5.448 83 HA PHE 12 HA PHE 12 -12.436 0.299 -3.523 84 HB2 PHE 12 2HB PHE 12 -9.918 1.859 -3.865 85 HB3 PHE 12 3HB PHE 12 -11.127 2.479 -2.746 86 HD1 PHE 12 HD2 PHE 12 -10.458 -1.090 -3.400 87 HD2 PHE 12 HD1 PHE 12 -9.945 2.182 -0.726 88 HE1 PHE 12 HE2 PHE 12 -9.643 -2.637 -1.669 89 HE2 PHE 12 HE1 PHE 12 -9.128 0.640 1.009 90 HZ PHE 12 HZ PHE 12 -8.977 -1.773 0.539 91 H ILE 13 H ILE 13 -11.774 2.265 -6.302 92 HA ILE 13 HA ILE 13 -13.538 4.409 -5.591 93 HB ILE 13 HB ILE 13 -12.061 3.643 -8.076 94 HG12 ILE 13 2HG1 ILE 13 -10.957 4.953 -6.288 95 HG13 ILE 13 3HG1 ILE 13 -11.075 5.852 -7.797 96 HG21 ILE 13 1HG2 ILE 13 -14.338 5.596 -7.895 97 HG22 ILE 13 2HG2 ILE 13 -13.096 5.698 -9.141 98 HG23 ILE 13 3HG2 ILE 13 -14.121 4.268 -9.034 99 HD11 ILE 13 3HD1 ILE 13 -11.813 6.740 -5.303 100 HD12 ILE 13 1HD1 ILE 13 -12.268 7.463 -6.845 101 HD13 ILE 13 2HD1 ILE 13 -13.348 6.311 -6.058 102 H VAL 14 H VAL 14 -13.770 1.517 -7.611 103 HA VAL 14 HA VAL 14 -16.378 2.087 -8.603 104 HB VAL 14 HB VAL 14 -14.933 -0.561 -8.422 105 HG11 VAL 14 1HG1 VAL 14 -16.574 -0.874 -10.497 106 HG12 VAL 14 2HG1 VAL 14 -17.045 -1.285 -8.846 107 HG13 VAL 14 3HG1 VAL 14 -17.549 0.251 -9.552 108 HG21 VAL 14 3HG2 VAL 14 -15.156 0.565 -11.060 109 HG22 VAL 14 1HG2 VAL 14 -14.356 1.698 -9.970 110 HG23 VAL 14 2HG2 VAL 14 -13.714 0.067 -10.173 111 H ARG 15 H ARG 15 -15.177 0.791 -5.656 112 HA ARG 15 HA ARG 15 -17.601 -0.603 -4.947 113 HB2 ARG 15 2HB ARG 15 -16.311 -1.559 -3.392 114 HB3 ARG 15 3HB ARG 15 -14.958 -0.658 -4.064 115 HG2 ARG 15 2HG ARG 15 -15.374 1.157 -2.491 116 HG3 ARG 15 3HG ARG 15 -16.745 0.268 -1.824 117 HD2 ARG 15 2HD ARG 15 -13.997 -0.930 -1.909 118 HD3 ARG 15 3HD ARG 15 -14.489 0.139 -0.596 119 HE ARG 15 HE ARG 15 -15.296 -2.580 -1.005 120 HH11 ARG 15 1HH1 ARG 15 -16.218 0.479 0.378 121 HH12 ARG 15 2HH1 ARG 15 -17.277 -0.225 1.555 122 HH21 ARG 15 1HH2 ARG 15 -16.688 -3.518 0.540 123 HH22 ARG 15 2HH2 ARG 15 -17.543 -2.498 1.646 124 H CYS 16 H CYS 16 -16.071 2.484 -4.189 125 HA CYS 16 HA CYS 16 -18.186 3.224 -2.353 126 HB2 CYS 16 2HB CYS 16 -15.844 4.821 -3.412 127 HB3 CYS 16 3HB CYS 16 -16.940 5.346 -2.139 128 HG CYS 16 HG CYS 16 -14.484 3.012 -2.009 129 H ALA 17 H ALA 17 -17.193 3.920 -5.646 130 HA ALA 17 HA ALA 17 -18.870 6.122 -6.131 131 HB1 ALA 17 1HB ALA 17 -17.933 4.055 -8.117 132 HB2 ALA 17 2HB ALA 17 -18.504 5.684 -8.480 133 HB3 ALA 17 3HB ALA 17 -16.998 5.456 -7.591 134 H PHE 18 H PHE 18 -19.419 2.647 -6.369 135 HA PHE 18 HA PHE 18 -22.001 2.883 -7.570 136 HB2 PHE 18 2HB PHE 18 -20.375 0.855 -7.564 137 HB3 PHE 18 3HB PHE 18 -21.100 0.483 -6.003 138 HD1 PHE 18 HD2 PHE 18 -23.701 0.377 -5.961 139 HD2 PHE 18 HD1 PHE 18 -21.343 0.041 -9.488 140 HE1 PHE 18 HE2 PHE 18 -25.569 -0.752 -7.098 141 HE2 PHE 18 HE1 PHE 18 -23.207 -1.087 -10.631 142 HZ PHE 18 HZ PHE 18 -25.323 -1.486 -9.435 143 H GLU 19 H GLU 19 -20.800 2.522 -4.276 144 HA GLU 19 HA GLU 19 -23.426 2.254 -3.136 145 HB2 GLU 19 2HB GLU 19 -21.735 1.190 -1.900 146 HB3 GLU 19 3HB GLU 19 -20.664 2.580 -1.999 147 HG2 GLU 19 2HG GLU 19 -21.616 3.617 -0.238 148 HG3 GLU 19 3HG GLU 19 -23.228 3.010 -0.611 149 H HIS 20 H HIS 20 -21.255 4.851 -3.892 150 HA HIS 20 HA HIS 20 -22.405 6.805 -2.172 151 HB2 HIS 20 2HB HIS 20 -20.129 7.000 -3.142 152 HB3 HIS 20 3HB HIS 20 -20.849 7.221 -4.734 153 HD1 HIS 20 HD1 HIS 20 -22.053 9.488 -5.183 154 HD2 HIS 20 HD2 HIS 20 -20.160 9.239 -1.493 155 HE1 HIS 20 HE1 HIS 20 -21.954 11.847 -4.318 156 H SER 21 H SER 21 -23.027 5.758 -5.470 157 HA SER 21 HA SER 21 -24.947 7.867 -5.947 158 HB2 SER 21 2HB SER 21 -24.366 5.407 -7.613 159 HB3 SER 21 3HB SER 21 -25.248 6.843 -8.131 160 HG SER 21 HG SER 21 -22.550 6.874 -7.258 161 H ARG 22 H ARG 22 -24.957 4.468 -5.080 162 HA ARG 22 HA ARG 22 -27.631 3.849 -5.537 163 HB2 ARG 22 2HB ARG 22 -25.596 2.398 -4.693 164 HB3 ARG 22 3HB ARG 22 -26.256 2.779 -3.108 165 HG2 ARG 22 2HG ARG 22 -28.436 1.855 -3.856 166 HG3 ARG 22 3HG ARG 22 -27.657 1.356 -5.359 167 HD2 ARG 22 2HD ARG 22 -26.479 -0.315 -4.355 168 HD3 ARG 22 3HD ARG 22 -26.368 0.540 -2.817 169 HE ARG 22 HE ARG 22 -29.025 -0.351 -3.482 170 HH11 ARG 22 1HH1 ARG 22 -26.002 -1.185 -1.970 171 HH12 ARG 22 2HH1 ARG 22 -26.699 -2.397 -0.946 172 HH21 ARG 22 1HH2 ARG 22 -29.954 -1.944 -2.139 173 HH22 ARG 22 2HH2 ARG 22 -28.946 -2.828 -1.044 174 H ARG 23 H ARG 23 -26.099 5.359 -2.727 175 HA ARG 23 HA ARG 23 -28.301 5.397 -1.015 176 HB2 ARG 23 2HB ARG 23 -26.328 5.996 0.031 177 HB3 ARG 23 3HB ARG 23 -25.831 7.055 -1.282 178 HG2 ARG 23 2HG ARG 23 -27.028 8.830 -0.494 179 HG3 ARG 23 3HG ARG 23 -28.231 7.808 0.297 180 HD2 ARG 23 2HD ARG 23 -27.135 8.478 2.159 181 HD3 ARG 23 3HD ARG 23 -26.074 7.136 1.733 182 HE ARG 23 HE ARG 23 -25.169 9.460 0.446 183 HH11 ARG 23 1HH1 ARG 23 -25.425 8.090 3.636 184 HH12 ARG 23 2HH1 ARG 23 -24.050 8.944 4.255 185 HH21 ARG 23 1HH2 ARG 23 -23.357 10.590 1.249 186 HH22 ARG 23 2HH2 ARG 23 -22.876 10.367 2.897 187 H PHE 24 H PHE 24 -27.535 7.367 -3.776 188 HA PHE 24 HA PHE 24 -29.504 9.387 -3.163 189 HB2 PHE 24 2HB PHE 24 -27.358 9.797 -4.455 190 HB3 PHE 24 3HB PHE 24 -28.108 8.948 -5.803 191 HD1 PHE 24 HD1 PHE 24 -30.102 9.900 -6.905 192 HD2 PHE 24 HD2 PHE 24 -27.943 12.030 -3.920 193 HE1 PHE 24 HE1 PHE 24 -31.174 11.993 -7.629 194 HE2 PHE 24 HE2 PHE 24 -29.012 14.127 -4.638 195 HZ PHE 24 HZ PHE 24 -30.630 14.110 -6.494 196 H THR 25 H THR 25 -29.213 6.610 -5.318 197 HA THR 25 HA THR 25 -31.847 7.063 -6.448 198 HB THR 25 HB THR 25 -29.853 6.113 -7.741 199 HG1 THR 25 HG1 THR 25 -31.386 4.481 -8.739 200 HG21 THR 25 3HG2 THR 25 -29.780 4.277 -5.713 201 HG22 THR 25 1HG2 THR 25 -29.030 4.068 -7.295 202 HG23 THR 25 2HG2 THR 25 -30.628 3.392 -6.981 Start of MODEL 16 1 H1 GLN 1 H GLN 1 1.248 -0.659 0.589 2 HA GLN 1 HA GLN 1 2.964 0.644 -0.770 3 HB2 GLN 1 2HB GLN 1 1.527 -1.801 -1.557 4 HB3 GLN 1 3HB GLN 1 2.382 -1.000 -2.868 5 HG2 GLN 1 2HG GLN 1 3.665 -1.733 -0.251 6 HG3 GLN 1 3HG GLN 1 3.673 -2.774 -1.674 7 HE21 GLN 1 1HE2 GLN 1 5.292 -2.551 -3.047 8 HE22 GLN 1 2HE2 GLN 1 6.375 -1.207 -3.125 9 H ARG 2 H ARG 2 3.311 1.897 -2.587 10 HA ARG 2 HA ARG 2 1.050 3.413 -3.495 11 HB2 ARG 2 2HB ARG 2 3.835 3.563 -4.631 12 HB3 ARG 2 3HB ARG 2 2.613 4.826 -4.570 13 HG2 ARG 2 2HG ARG 2 3.092 5.382 -2.426 14 HG3 ARG 2 3HG ARG 2 3.545 3.735 -1.984 15 HD2 ARG 2 2HD ARG 2 5.598 4.746 -1.951 16 HD3 ARG 2 3HD ARG 2 5.545 4.194 -3.625 17 HE ARG 2 HE ARG 2 4.475 6.745 -3.599 18 HH11 ARG 2 1HH1 ARG 2 7.513 5.226 -2.836 19 HH12 ARG 2 2HH1 ARG 2 8.460 6.620 -3.239 20 HH21 ARG 2 1HH2 ARG 2 5.710 8.587 -4.133 21 HH22 ARG 2 2HH2 ARG 2 7.433 8.531 -3.976 22 H SER 3 H SER 3 3.269 1.062 -4.931 23 HA SER 3 HA SER 3 2.389 1.233 -7.577 24 HB2 SER 3 2HB SER 3 3.442 -1.202 -6.115 25 HB3 SER 3 3HB SER 3 3.364 -1.006 -7.866 26 HG SER 3 HG SER 3 4.670 1.020 -7.307 27 H ASN 4 H ASN 4 1.179 -0.671 -4.862 28 HA ASN 4 HA ASN 4 -0.812 -2.001 -6.469 29 HB2 ASN 4 2HB ASN 4 -0.420 -1.907 -3.470 30 HB3 ASN 4 3HB ASN 4 -1.579 -2.938 -4.304 31 HD21 ASN 4 1HD2 ASN 4 -0.920 -4.942 -4.459 32 HD22 ASN 4 2HD2 ASN 4 0.710 -5.471 -4.681 33 H PHE 5 H PHE 5 -0.559 0.951 -4.768 34 HA PHE 5 HA PHE 5 -3.265 1.351 -4.063 35 HB2 PHE 5 2HB PHE 5 -1.324 2.678 -3.193 36 HB3 PHE 5 3HB PHE 5 -1.230 3.476 -4.759 37 HD1 PHE 5 HD1 PHE 5 -4.078 2.586 -2.519 38 HD2 PHE 5 HD2 PHE 5 -1.951 5.645 -4.577 39 HE1 PHE 5 HE1 PHE 5 -5.738 4.240 -1.769 40 HE2 PHE 5 HE2 PHE 5 -3.607 7.304 -3.829 41 HZ PHE 5 HZ PHE 5 -5.503 6.603 -2.422 42 H HIS 6 H HIS 6 -1.422 2.050 -6.986 43 HA HIS 6 HA HIS 6 -3.294 3.612 -8.337 44 HB2 HIS 6 2HB HIS 6 -0.979 1.934 -9.110 45 HB3 HIS 6 3HB HIS 6 -2.137 2.290 -10.389 46 HD1 HIS 6 HD1 HIS 6 0.912 3.498 -9.324 47 HD2 HIS 6 HD2 HIS 6 -2.721 5.369 -10.073 48 HE1 HIS 6 HE1 HIS 6 1.472 5.915 -9.735 49 HA PRO 7 HA PRO 7 -5.055 -0.457 -10.267 50 HB2 PRO 7 2HB PRO 7 -4.315 -2.797 -9.106 51 HB3 PRO 7 3HB PRO 7 -3.415 -2.057 -10.436 52 HG2 PRO 7 2HG PRO 7 -2.855 -1.981 -7.496 53 HG3 PRO 7 3HG PRO 7 -1.728 -2.217 -8.844 54 HD2 PRO 7 2HD PRO 7 -2.017 0.164 -7.588 55 HD3 PRO 7 3HD PRO 7 -1.618 0.037 -9.313 56 H LEU 8 H LEU 8 -4.557 -0.156 -6.827 57 HA LEU 8 HA LEU 8 -6.959 -1.592 -6.123 58 HB2 LEU 8 2HB LEU 8 -5.142 -1.688 -4.584 59 HB3 LEU 8 3HB LEU 8 -5.014 0.069 -4.537 60 HG LEU 8 HG LEU 8 -7.556 -1.166 -3.614 61 HD11 LEU 8 1HD1 LEU 8 -4.999 -1.882 -2.531 62 HD12 LEU 8 2HD1 LEU 8 -6.609 -2.418 -2.049 63 HD13 LEU 8 3HD1 LEU 8 -5.921 -0.953 -1.349 64 HD21 LEU 8 3HD2 LEU 8 -5.968 1.302 -3.162 65 HD22 LEU 8 1HD2 LEU 8 -6.986 0.720 -1.844 66 HD23 LEU 8 2HD2 LEU 8 -7.703 1.099 -3.410 67 H ALA 9 H ALA 9 -6.076 1.651 -6.894 68 HA ALA 9 HA ALA 9 -8.069 3.089 -5.559 69 HB1 ALA 9 1HB ALA 9 -6.257 4.259 -6.577 70 HB2 ALA 9 2HB ALA 9 -6.676 3.635 -8.173 71 HB3 ALA 9 3HB ALA 9 -7.743 4.785 -7.368 72 H ALA 10 H ALA 10 -8.109 1.468 -8.705 73 HA ALA 10 HA ALA 10 -10.641 2.358 -9.543 74 HB1 ALA 10 1HB ALA 10 -10.579 0.312 -11.017 75 HB2 ALA 10 2HB ALA 10 -9.205 1.409 -11.167 76 HB3 ALA 10 3HB ALA 10 -9.041 -0.089 -10.251 77 H SER 11 H SER 11 -9.650 -0.530 -7.739 78 HA SER 11 HA SER 11 -12.194 -1.730 -7.608 79 HB2 SER 11 2HB SER 11 -9.804 -1.973 -5.768 80 HB3 SER 11 3HB SER 11 -11.232 -3.004 -5.676 81 HG SER 11 HG SER 11 -10.212 -4.168 -7.096 82 H PHE 12 H PHE 12 -10.498 0.440 -5.372 83 HA PHE 12 HA PHE 12 -12.590 0.475 -3.441 84 HB2 PHE 12 2HB PHE 12 -10.115 2.102 -3.907 85 HB3 PHE 12 3HB PHE 12 -11.306 2.641 -2.728 86 HD1 PHE 12 HD1 PHE 12 -9.860 -0.681 -3.630 87 HD2 PHE 12 HD2 PHE 12 -10.624 2.197 -0.589 88 HE1 PHE 12 HE1 PHE 12 -8.879 -2.194 -1.957 89 HE2 PHE 12 HE2 PHE 12 -9.644 0.689 1.089 90 HZ PHE 12 HZ PHE 12 -8.769 -1.510 0.407 91 H ILE 13 H ILE 13 -11.933 2.247 -6.348 92 HA ILE 13 HA ILE 13 -13.695 4.435 -5.777 93 HB ILE 13 HB ILE 13 -12.218 3.510 -8.208 94 HG12 ILE 13 2HG1 ILE 13 -11.109 4.927 -6.508 95 HG13 ILE 13 3HG1 ILE 13 -11.229 5.732 -8.069 96 HG21 ILE 13 1HG2 ILE 13 -14.490 5.477 -8.149 97 HG22 ILE 13 2HG2 ILE 13 -13.248 5.496 -9.400 98 HG23 ILE 13 3HG2 ILE 13 -14.278 4.078 -9.203 99 HD11 ILE 13 3HD1 ILE 13 -11.964 6.769 -5.629 100 HD12 ILE 13 1HD1 ILE 13 -12.412 7.402 -7.213 101 HD13 ILE 13 2HD1 ILE 13 -13.498 6.303 -6.362 102 H VAL 14 H VAL 14 -13.924 1.419 -7.606 103 HA VAL 14 HA VAL 14 -16.531 1.922 -8.636 104 HB VAL 14 HB VAL 14 -15.084 -0.707 -8.283 105 HG11 VAL 14 1HG1 VAL 14 -16.654 -1.426 -10.130 106 HG12 VAL 14 2HG1 VAL 14 -17.385 -1.195 -8.541 107 HG13 VAL 14 3HG1 VAL 14 -17.580 0.035 -9.790 108 HG21 VAL 14 3HG2 VAL 14 -15.340 0.342 -10.980 109 HG22 VAL 14 1HG2 VAL 14 -14.425 1.417 -9.922 110 HG23 VAL 14 2HG2 VAL 14 -13.915 -0.258 -10.131 111 H ARG 15 H ARG 15 -15.333 0.819 -5.610 112 HA ARG 15 HA ARG 15 -17.756 -0.528 -4.815 113 HB2 ARG 15 2HB ARG 15 -16.467 -1.380 -3.200 114 HB3 ARG 15 3HB ARG 15 -15.114 -0.523 -3.927 115 HG2 ARG 15 2HG ARG 15 -15.534 1.391 -2.476 116 HG3 ARG 15 3HG ARG 15 -16.906 0.545 -1.755 117 HD2 ARG 15 2HD ARG 15 -14.091 -0.524 -1.733 118 HD3 ARG 15 3HD ARG 15 -14.767 0.460 -0.435 119 HE ARG 15 HE ARG 15 -16.563 -1.552 -0.705 120 HH11 ARG 15 1HH1 ARG 15 -13.112 -1.448 -0.251 121 HH12 ARG 15 2HH1 ARG 15 -13.050 -2.947 0.616 122 HH21 ARG 15 1HH2 ARG 15 -16.494 -3.526 0.435 123 HH22 ARG 15 2HH2 ARG 15 -14.974 -4.129 1.004 124 H CYS 16 H CYS 16 -16.231 2.604 -4.257 125 HA CYS 16 HA CYS 16 -18.350 3.458 -2.476 126 HB2 CYS 16 2HB CYS 16 -16.008 4.986 -3.632 127 HB3 CYS 16 3HB CYS 16 -17.107 5.591 -2.398 128 HG CYS 16 HG CYS 16 -15.988 4.474 -0.350 129 H ALA 17 H ALA 17 -17.352 3.940 -5.806 130 HA ALA 17 HA ALA 17 -19.031 6.104 -6.435 131 HB1 ALA 17 1HB ALA 17 -17.155 5.348 -7.845 132 HB2 ALA 17 2HB ALA 17 -18.088 3.916 -8.282 133 HB3 ALA 17 3HB ALA 17 -18.660 5.517 -8.750 134 H PHE 18 H PHE 18 -19.576 2.620 -6.449 135 HA PHE 18 HA PHE 18 -22.156 2.775 -7.666 136 HB2 PHE 18 2HB PHE 18 -20.528 0.754 -7.527 137 HB3 PHE 18 3HB PHE 18 -21.255 0.483 -5.946 138 HD1 PHE 18 HD2 PHE 18 -23.748 0.130 -5.812 139 HD2 PHE 18 HD1 PHE 18 -21.600 0.063 -9.486 140 HE1 PHE 18 HE2 PHE 18 -25.612 -1.072 -6.876 141 HE2 PHE 18 HE1 PHE 18 -23.461 -1.139 -10.556 142 HZ PHE 18 HZ PHE 18 -25.470 -1.709 -9.251 143 H GLU 19 H GLU 19 -20.960 2.629 -4.354 144 HA GLU 19 HA GLU 19 -23.588 2.432 -3.203 145 HB2 GLU 19 2HB GLU 19 -21.897 1.452 -1.899 146 HB3 GLU 19 3HB GLU 19 -20.828 2.835 -2.085 147 HG2 GLU 19 2HG GLU 19 -21.784 3.981 -0.396 148 HG3 GLU 19 3HG GLU 19 -23.395 3.350 -0.732 149 H HIS 20 H HIS 20 -21.419 4.978 -4.122 150 HA HIS 20 HA HIS 20 -22.573 7.038 -2.534 151 HB2 HIS 20 2HB HIS 20 -20.296 7.174 -3.511 152 HB3 HIS 20 3HB HIS 20 -21.014 7.288 -5.115 153 HD1 HIS 20 HD1 HIS 20 -21.743 9.565 -5.888 154 HD2 HIS 20 HD2 HIS 20 -20.815 9.469 -1.839 155 HE1 HIS 20 HE1 HIS 20 -21.771 11.964 -5.135 156 H SER 21 H SER 21 -23.189 5.779 -5.758 157 HA SER 21 HA SER 21 -25.113 7.850 -6.372 158 HB2 SER 21 2HB SER 21 -24.525 5.289 -7.875 159 HB3 SER 21 3HB SER 21 -25.409 6.687 -8.486 160 HG SER 21 HG SER 21 -22.785 6.996 -7.528 161 H ARG 22 H ARG 22 -25.118 4.514 -5.287 162 HA ARG 22 HA ARG 22 -27.790 3.861 -5.707 163 HB2 ARG 22 2HB ARG 22 -25.754 2.472 -4.768 164 HB3 ARG 22 3HB ARG 22 -26.416 2.954 -3.212 165 HG2 ARG 22 2HG ARG 22 -28.594 1.979 -3.900 166 HG3 ARG 22 3HG ARG 22 -27.812 1.385 -5.367 167 HD2 ARG 22 2HD ARG 22 -26.582 -0.185 -4.238 168 HD3 ARG 22 3HD ARG 22 -26.574 0.742 -2.739 169 HE ARG 22 HE ARG 22 -28.436 -1.262 -3.479 170 HH11 ARG 22 1HH1 ARG 22 -28.187 1.793 -1.829 171 HH12 ARG 22 2HH1 ARG 22 -29.545 1.494 -0.795 172 HH21 ARG 22 1HH2 ARG 22 -30.226 -1.668 -2.125 173 HH22 ARG 22 2HH2 ARG 22 -30.704 -0.475 -0.964 174 H ARG 23 H ARG 23 -26.266 5.554 -2.999 175 HA ARG 23 HA ARG 23 -28.468 5.698 -1.295 176 HB2 ARG 23 2HB ARG 23 -26.501 6.375 -0.289 177 HB3 ARG 23 3HB ARG 23 -26.003 7.342 -1.671 178 HG2 ARG 23 2HG ARG 23 -27.207 9.164 -1.009 179 HG3 ARG 23 3HG ARG 23 -28.407 8.197 -0.151 180 HD2 ARG 23 2HD ARG 23 -25.631 8.146 0.883 181 HD3 ARG 23 3HD ARG 23 -26.544 9.638 1.104 182 HE ARG 23 HE ARG 23 -27.978 7.283 1.908 183 HH11 ARG 23 1HH1 ARG 23 -25.689 9.713 2.894 184 HH12 ARG 23 2HH1 ARG 23 -26.028 9.534 4.584 185 HH21 ARG 23 1HH2 ARG 23 -28.434 7.037 4.130 186 HH22 ARG 23 2HH2 ARG 23 -27.589 8.010 5.285 187 H PHE 24 H PHE 24 -27.707 7.488 -4.178 188 HA PHE 24 HA PHE 24 -29.682 9.537 -3.701 189 HB2 PHE 24 2HB PHE 24 -28.167 8.883 -6.237 190 HB3 PHE 24 3HB PHE 24 -29.080 10.355 -5.920 191 HD1 PHE 24 HD2 PHE 24 -28.235 10.935 -3.146 192 HD2 PHE 24 HD1 PHE 24 -25.989 9.636 -6.520 193 HE1 PHE 24 HE2 PHE 24 -26.219 11.982 -2.202 194 HE2 PHE 24 HE1 PHE 24 -23.968 10.680 -5.581 195 HZ PHE 24 HZ PHE 24 -24.082 11.856 -3.420 196 H THR 25 H THR 25 -29.397 6.604 -5.634 197 HA THR 25 HA THR 25 -32.102 6.969 -6.680 198 HB THR 25 HB THR 25 -29.830 5.152 -7.386 199 HG1 THR 25 HG1 THR 25 -31.620 6.580 -9.068 200 HG21 THR 25 3HG2 THR 25 -31.438 3.978 -8.945 201 HG22 THR 25 1HG2 THR 25 -32.744 4.675 -7.988 202 HG23 THR 25 2HG2 THR 25 -31.595 3.567 -7.237 Start of MODEL 17 1 H1 GLN 1 H GLN 1 1.623 -0.252 0.968 2 HA GLN 1 HA GLN 1 3.108 0.240 -0.731 3 HB2 GLN 1 2HB GLN 1 1.387 -1.741 -2.218 4 HB3 GLN 1 3HB GLN 1 3.118 -1.480 -2.386 5 HG2 GLN 1 2HG GLN 1 1.753 -2.582 0.060 6 HG3 GLN 1 3HG GLN 1 2.590 -3.535 -1.165 7 HE21 GLN 1 1HE2 GLN 1 4.826 -2.111 -1.640 8 HE22 GLN 1 2HE2 GLN 1 5.797 -2.009 -0.215 9 H ARG 2 H ARG 2 3.423 1.759 -2.231 10 HA ARG 2 HA ARG 2 1.248 3.256 -3.256 11 HB2 ARG 2 2HB ARG 2 3.260 4.439 -2.884 12 HB3 ARG 2 3HB ARG 2 4.208 3.275 -3.799 13 HG2 ARG 2 2HG ARG 2 2.152 4.477 -5.434 14 HG3 ARG 2 3HG ARG 2 3.204 5.693 -4.707 15 HD2 ARG 2 2HD ARG 2 4.705 3.430 -5.715 16 HD3 ARG 2 3HD ARG 2 3.725 4.178 -6.975 17 HE ARG 2 HE ARG 2 6.081 5.239 -5.807 18 HH11 ARG 2 1HH1 ARG 2 2.970 6.159 -7.070 19 HH12 ARG 2 2HH1 ARG 2 3.480 7.751 -7.525 20 HH21 ARG 2 1HH2 ARG 2 6.765 7.333 -6.402 21 HH22 ARG 2 2HH2 ARG 2 5.639 8.417 -7.146 22 H SER 3 H SER 3 3.447 0.890 -4.701 23 HA SER 3 HA SER 3 2.607 1.131 -7.357 24 HB2 SER 3 2HB SER 3 3.614 -1.347 -5.938 25 HB3 SER 3 3HB SER 3 3.565 -1.107 -7.684 26 HG SER 3 HG SER 3 5.291 0.103 -7.568 27 H ASN 4 H ASN 4 1.349 -0.831 -4.703 28 HA ASN 4 HA ASN 4 -0.646 -2.084 -6.370 29 HB2 ASN 4 2HB ASN 4 -0.263 -2.113 -3.368 30 HB3 ASN 4 3HB ASN 4 -1.429 -3.098 -4.246 31 HD21 ASN 4 1HD2 ASN 4 0.437 -4.252 -2.624 32 HD22 ASN 4 2HD2 ASN 4 1.587 -5.117 -3.581 33 H PHE 5 H PHE 5 -0.367 0.794 -4.547 34 HA PHE 5 HA PHE 5 -3.072 1.193 -3.840 35 HB2 PHE 5 2HB PHE 5 -1.096 2.456 -2.920 36 HB3 PHE 5 3HB PHE 5 -1.033 3.341 -4.441 37 HD1 PHE 5 HD1 PHE 5 -3.859 2.315 -2.233 38 HD2 PHE 5 HD2 PHE 5 -1.734 5.499 -4.094 39 HE1 PHE 5 HE1 PHE 5 -5.507 3.920 -1.361 40 HE2 PHE 5 HE2 PHE 5 -3.378 7.109 -3.224 41 HZ PHE 5 HZ PHE 5 -5.268 6.320 -1.856 42 H HIS 6 H HIS 6 -1.203 1.996 -6.719 43 HA HIS 6 HA HIS 6 -3.049 3.637 -8.012 44 HB2 HIS 6 2HB HIS 6 -0.748 1.968 -8.844 45 HB3 HIS 6 3HB HIS 6 -1.893 2.392 -10.113 46 HD1 HIS 6 HD1 HIS 6 -1.747 4.713 -11.056 47 HD2 HIS 6 HD2 HIS 6 0.477 4.261 -7.576 48 HE1 HIS 6 HE1 HIS 6 -0.418 6.835 -10.828 49 HA PRO 7 HA PRO 7 -4.842 -0.326 -10.127 50 HB2 PRO 7 2HB PRO 7 -4.136 -2.721 -9.062 51 HB3 PRO 7 3HB PRO 7 -3.219 -1.936 -10.353 52 HG2 PRO 7 2HG PRO 7 -2.679 -1.991 -7.409 53 HG3 PRO 7 3HG PRO 7 -1.544 -2.183 -8.759 54 HD2 PRO 7 2HD PRO 7 -1.816 0.146 -7.404 55 HD3 PRO 7 3HD PRO 7 -1.406 0.088 -9.130 56 H LEU 8 H LEU 8 -4.364 -0.180 -6.674 57 HA LEU 8 HA LEU 8 -6.787 -1.615 -6.048 58 HB2 LEU 8 2HB LEU 8 -4.983 -1.800 -4.502 59 HB3 LEU 8 3HB LEU 8 -4.833 -0.048 -4.380 60 HG LEU 8 HG LEU 8 -7.398 -1.287 -3.527 61 HD11 LEU 8 1HD1 LEU 8 -4.860 -2.090 -2.462 62 HD12 LEU 8 2HD1 LEU 8 -6.480 -2.619 -2.011 63 HD13 LEU 8 3HD1 LEU 8 -5.773 -1.197 -1.245 64 HD21 LEU 8 3HD2 LEU 8 -7.490 0.982 -3.252 65 HD22 LEU 8 1HD2 LEU 8 -5.763 1.125 -2.922 66 HD23 LEU 8 2HD2 LEU 8 -6.851 0.507 -1.678 67 H ALA 9 H ALA 9 -5.862 1.648 -6.672 68 HA ALA 9 HA ALA 9 -7.846 3.051 -5.289 69 HB1 ALA 9 1HB ALA 9 -7.490 4.818 -7.022 70 HB2 ALA 9 2HB ALA 9 -6.015 4.242 -6.246 71 HB3 ALA 9 3HB ALA 9 -6.430 3.691 -7.869 72 H ALA 10 H ALA 10 -7.884 1.566 -8.502 73 HA ALA 10 HA ALA 10 -10.400 2.522 -9.317 74 HB1 ALA 10 1HB ALA 10 -8.965 1.627 -10.971 75 HB2 ALA 10 2HB ALA 10 -8.824 0.088 -10.119 76 HB3 ALA 10 3HB ALA 10 -10.351 0.540 -10.877 77 H SER 11 H SER 11 -9.455 -0.453 -7.633 78 HA SER 11 HA SER 11 -12.014 -1.626 -7.568 79 HB2 SER 11 2HB SER 11 -9.639 -1.977 -5.726 80 HB3 SER 11 3HB SER 11 -11.080 -2.993 -5.686 81 HG SER 11 HG SER 11 -9.036 -3.484 -7.097 82 H PHE 12 H PHE 12 -10.307 0.425 -5.231 83 HA PHE 12 HA PHE 12 -12.412 0.403 -3.313 84 HB2 PHE 12 2HB PHE 12 -9.915 2.019 -3.694 85 HB3 PHE 12 3HB PHE 12 -11.108 2.521 -2.500 86 HD1 PHE 12 HD1 PHE 12 -9.692 -0.775 -3.535 87 HD2 PHE 12 HD2 PHE 12 -10.448 1.978 -0.378 88 HE1 PHE 12 HE1 PHE 12 -8.741 -2.370 -1.921 89 HE2 PHE 12 HE2 PHE 12 -9.497 0.387 1.241 90 HZ PHE 12 HZ PHE 12 -8.641 -1.789 0.470 91 H ILE 13 H ILE 13 -11.715 2.290 -6.138 92 HA ILE 13 HA ILE 13 -13.455 4.472 -5.484 93 HB ILE 13 HB ILE 13 -11.973 3.635 -7.944 94 HG12 ILE 13 2HG1 ILE 13 -10.858 4.964 -6.178 95 HG13 ILE 13 3HG1 ILE 13 -10.959 5.836 -7.704 96 HG21 ILE 13 1HG2 ILE 13 -14.222 5.624 -7.815 97 HG22 ILE 13 2HG2 ILE 13 -12.972 5.682 -9.056 98 HG23 ILE 13 3HG2 ILE 13 -14.019 4.269 -8.926 99 HD11 ILE 13 3HD1 ILE 13 -12.130 7.481 -6.787 100 HD12 ILE 13 1HD1 ILE 13 -13.233 6.361 -5.988 101 HD13 ILE 13 2HD1 ILE 13 -11.697 6.779 -5.228 102 H VAL 14 H VAL 14 -13.707 1.540 -7.443 103 HA VAL 14 HA VAL 14 -16.301 2.118 -8.466 104 HB VAL 14 HB VAL 14 -14.888 -0.542 -8.217 105 HG11 VAL 14 1HG1 VAL 14 -17.079 -1.156 -8.578 106 HG12 VAL 14 2HG1 VAL 14 -17.445 0.296 -9.512 107 HG13 VAL 14 3HG1 VAL 14 -16.485 -0.998 -10.230 108 HG21 VAL 14 3HG2 VAL 14 -13.635 0.059 -9.951 109 HG22 VAL 14 1HG2 VAL 14 -15.068 0.496 -10.882 110 HG23 VAL 14 2HG2 VAL 14 -14.303 1.687 -9.830 111 H ARG 15 H ARG 15 -15.136 0.873 -5.483 112 HA ARG 15 HA ARG 15 -17.579 -0.479 -4.761 113 HB2 ARG 15 2HB ARG 15 -16.311 -1.412 -3.175 114 HB3 ARG 15 3HB ARG 15 -14.944 -0.541 -3.857 115 HG2 ARG 15 2HG ARG 15 -15.352 1.314 -2.329 116 HG3 ARG 15 3HG ARG 15 -16.738 0.455 -1.653 117 HD2 ARG 15 2HD ARG 15 -13.898 -0.559 -1.628 118 HD3 ARG 15 3HD ARG 15 -14.689 0.251 -0.276 119 HE ARG 15 HE ARG 15 -14.993 -2.474 -1.053 120 HH11 ARG 15 1HH1 ARG 15 -16.656 0.231 0.374 121 HH12 ARG 15 2HH1 ARG 15 -17.761 -0.755 1.272 122 HH21 ARG 15 1HH2 ARG 15 -16.443 -3.783 0.125 123 HH22 ARG 15 2HH2 ARG 15 -17.638 -3.038 1.131 124 H CYS 16 H CYS 16 -16.024 2.608 -4.059 125 HA CYS 16 HA CYS 16 -18.146 3.410 -2.259 126 HB2 CYS 16 2HB CYS 16 -15.779 4.960 -3.332 127 HB3 CYS 16 3HB CYS 16 -16.879 5.524 -2.080 128 HG CYS 16 HG CYS 16 -14.484 3.122 -1.878 129 H ALA 17 H ALA 17 -17.116 4.026 -5.557 130 HA ALA 17 HA ALA 17 -18.761 6.234 -6.108 131 HB1 ALA 17 1HB ALA 17 -17.841 4.103 -8.033 132 HB2 ALA 17 2HB ALA 17 -18.392 5.728 -8.444 133 HB3 ALA 17 3HB ALA 17 -16.893 5.507 -7.542 134 H PHE 18 H PHE 18 -19.361 2.762 -6.272 135 HA PHE 18 HA PHE 18 -21.939 3.018 -7.479 136 HB2 PHE 18 2HB PHE 18 -20.332 0.967 -7.437 137 HB3 PHE 18 3HB PHE 18 -21.085 0.623 -5.884 138 HD1 PHE 18 HD1 PHE 18 -21.631 0.870 -9.501 139 HD2 PHE 18 HD2 PHE 18 -23.343 -0.162 -5.744 140 HE1 PHE 18 HE1 PHE 18 -23.497 -0.238 -10.660 141 HE2 PHE 18 HE2 PHE 18 -25.211 -1.272 -6.896 142 HZ PHE 18 HZ PHE 18 -25.290 -1.312 -9.357 143 H GLU 19 H GLU 19 -20.742 2.655 -4.182 144 HA GLU 19 HA GLU 19 -23.360 2.430 -3.029 145 HB2 GLU 19 2HB GLU 19 -21.665 1.395 -1.775 146 HB3 GLU 19 3HB GLU 19 -20.594 2.783 -1.910 147 HG2 GLU 19 2HG GLU 19 -21.536 3.858 -0.167 148 HG3 GLU 19 3HG GLU 19 -23.151 3.247 -0.520 149 H HIS 20 H HIS 20 -21.191 5.017 -3.834 150 HA HIS 20 HA HIS 20 -22.358 7.000 -2.156 151 HB2 HIS 20 2HB HIS 20 -20.067 7.170 -3.110 152 HB3 HIS 20 3HB HIS 20 -20.778 7.384 -4.707 153 HD1 HIS 20 HD1 HIS 20 -22.524 9.558 -4.774 154 HD2 HIS 20 HD2 HIS 20 -19.544 9.513 -1.879 155 HE1 HIS 20 HE1 HIS 20 -22.280 11.945 -4.024 156 H SER 21 H SER 21 -22.959 5.870 -5.425 157 HA SER 21 HA SER 21 -24.845 7.982 -5.996 158 HB2 SER 21 2HB SER 21 -24.311 5.440 -7.549 159 HB3 SER 21 3HB SER 21 -25.158 6.871 -8.134 160 HG SER 21 HG SER 21 -22.584 7.232 -7.137 161 H ARG 22 H ARG 22 -24.928 4.609 -5.017 162 HA ARG 22 HA ARG 22 -27.631 4.067 -5.435 163 HB2 ARG 22 2HB ARG 22 -25.659 3.019 -3.412 164 HB3 ARG 22 3HB ARG 22 -27.310 2.421 -3.505 165 HG2 ARG 22 2HG ARG 22 -26.001 2.432 -6.093 166 HG3 ARG 22 3HG ARG 22 -25.137 1.460 -4.900 167 HD2 ARG 22 2HD ARG 22 -28.102 1.208 -5.271 168 HD3 ARG 22 3HD ARG 22 -26.973 0.330 -6.302 169 HE ARG 22 HE ARG 22 -26.143 -0.269 -3.790 170 HH11 ARG 22 1HH1 ARG 22 -29.207 -0.462 -5.432 171 HH12 ARG 22 2HH1 ARG 22 -29.762 -1.822 -4.513 172 HH21 ARG 22 1HH2 ARG 22 -26.863 -2.059 -2.572 173 HH22 ARG 22 2HH2 ARG 22 -28.428 -2.728 -2.886 174 H ARG 23 H ARG 23 -25.995 5.551 -2.670 175 HA ARG 23 HA ARG 23 -28.162 5.675 -0.918 176 HB2 ARG 23 2HB ARG 23 -26.140 6.205 0.079 177 HB3 ARG 23 3HB ARG 23 -25.646 7.256 -1.242 178 HG2 ARG 23 2HG ARG 23 -26.775 9.059 -0.419 179 HG3 ARG 23 3HG ARG 23 -27.986 8.067 0.396 180 HD2 ARG 23 2HD ARG 23 -25.693 7.362 1.703 181 HD3 ARG 23 3HD ARG 23 -25.408 9.067 1.357 182 HE ARG 23 HE ARG 23 -26.958 9.587 2.945 183 HH11 ARG 23 1HH1 ARG 23 -27.473 6.298 1.926 184 HH12 ARG 23 2HH1 ARG 23 -28.706 5.989 3.104 185 HH21 ARG 23 1HH2 ARG 23 -28.580 9.192 4.500 186 HH22 ARG 23 2HH2 ARG 23 -29.335 7.636 4.566 187 H PHE 24 H PHE 24 -27.392 7.580 -3.717 188 HA PHE 24 HA PHE 24 -29.259 9.688 -3.082 189 HB2 PHE 24 2HB PHE 24 -27.136 9.988 -4.441 190 HB3 PHE 24 3HB PHE 24 -27.961 9.153 -5.754 191 HD1 PHE 24 HD1 PHE 24 -30.261 10.143 -6.459 192 HD2 PHE 24 HD2 PHE 24 -27.297 12.280 -4.277 193 HE1 PHE 24 HE1 PHE 24 -31.266 12.269 -7.182 194 HE2 PHE 24 HE2 PHE 24 -28.298 14.410 -4.996 195 HZ PHE 24 HZ PHE 24 -30.285 14.406 -6.450 196 H THR 25 H THR 25 -29.145 6.869 -5.200 197 HA THR 25 HA THR 25 -31.791 7.414 -6.258 198 HB THR 25 HB THR 25 -29.871 6.368 -7.594 199 HG1 THR 25 HG1 THR 25 -31.372 5.434 -8.869 200 HG21 THR 25 3HG2 THR 25 -30.829 3.766 -6.469 201 HG22 THR 25 1HG2 THR 25 -29.527 4.642 -5.667 202 HG23 THR 25 2HG2 THR 25 -29.341 4.126 -7.344 Start of MODEL 18 1 H1 GLN 1 H GLN 1 4.654 -0.120 -2.231 2 HA GLN 1 HA GLN 1 2.475 -0.822 -2.316 3 HB2 GLN 1 2HB GLN 1 2.544 -0.103 0.197 4 HB3 GLN 1 3HB GLN 1 1.629 1.289 -0.365 5 HG2 GLN 1 2HG GLN 1 -0.218 0.092 -0.208 6 HG3 GLN 1 3HG GLN 1 0.388 -0.962 -1.484 7 HE21 GLN 1 1HE2 GLN 1 -0.896 -1.000 1.475 8 HE22 GLN 1 2HE2 GLN 1 -0.198 -2.448 2.107 9 H ARG 2 H ARG 2 3.744 1.900 -3.372 10 HA ARG 2 HA ARG 2 1.416 3.415 -4.095 11 HB2 ARG 2 2HB ARG 2 4.127 3.635 -5.389 12 HB3 ARG 2 3HB ARG 2 2.898 4.880 -5.216 13 HG2 ARG 2 2HG ARG 2 3.498 5.376 -3.089 14 HG3 ARG 2 3HG ARG 2 3.992 3.721 -2.725 15 HD2 ARG 2 2HD ARG 2 5.955 4.116 -4.277 16 HD3 ARG 2 3HD ARG 2 5.508 5.822 -4.254 17 HE ARG 2 HE ARG 2 6.873 4.385 -2.209 18 HH11 ARG 2 1HH1 ARG 2 4.620 6.979 -2.770 19 HH12 ARG 2 2HH1 ARG 2 5.021 7.818 -1.308 20 HH21 ARG 2 1HH2 ARG 2 7.410 5.480 -0.281 21 HH22 ARG 2 2HH2 ARG 2 6.609 6.965 0.106 22 H SER 3 H SER 3 3.571 1.138 -5.735 23 HA SER 3 HA SER 3 2.533 1.379 -8.318 24 HB2 SER 3 2HB SER 3 4.629 0.135 -7.610 25 HB3 SER 3 3HB SER 3 3.575 -1.191 -7.118 26 HG SER 3 HG SER 3 4.269 -0.314 -9.654 27 H ASN 4 H ASN 4 1.505 -0.621 -5.597 28 HA ASN 4 HA ASN 4 -0.563 -1.926 -7.125 29 HB2 ASN 4 2HB ASN 4 0.004 -1.920 -4.152 30 HB3 ASN 4 3HB ASN 4 -1.191 -2.939 -4.949 31 HD21 ASN 4 1HD2 ASN 4 0.700 -4.129 -3.472 32 HD22 ASN 4 2HD2 ASN 4 1.848 -4.939 -4.478 33 H PHE 5 H PHE 5 -0.240 0.975 -5.349 34 HA PHE 5 HA PHE 5 -2.903 1.320 -4.472 35 HB2 PHE 5 2HB PHE 5 -0.924 2.643 -3.680 36 HB3 PHE 5 3HB PHE 5 -0.939 3.493 -5.222 37 HD1 PHE 5 HD1 PHE 5 -3.629 2.490 -2.839 38 HD2 PHE 5 HD2 PHE 5 -1.673 5.644 -4.923 39 HE1 PHE 5 HE1 PHE 5 -5.258 4.096 -1.931 40 HE2 PHE 5 HE2 PHE 5 -3.298 7.255 -4.018 41 HZ PHE 5 HZ PHE 5 -5.093 6.481 -2.519 42 H HIS 6 H HIS 6 -1.246 2.130 -7.477 43 HA HIS 6 HA HIS 6 -3.212 3.710 -8.664 44 HB2 HIS 6 2HB HIS 6 -0.929 2.087 -9.625 45 HB3 HIS 6 3HB HIS 6 -2.165 2.467 -10.822 46 HD1 HIS 6 HD1 HIS 6 0.898 3.733 -9.628 47 HD2 HIS 6 HD2 HIS 6 -2.733 5.475 -10.650 48 HE1 HIS 6 HE1 HIS 6 1.413 6.156 -10.065 49 HA PRO 7 HA PRO 7 -5.041 -0.320 -10.614 50 HB2 PRO 7 2HB PRO 7 -4.206 -2.685 -9.573 51 HB3 PRO 7 3HB PRO 7 -3.396 -1.893 -10.930 52 HG2 PRO 7 2HG PRO 7 -2.662 -1.899 -8.027 53 HG3 PRO 7 3HG PRO 7 -1.615 -2.080 -9.447 54 HD2 PRO 7 2HD PRO 7 -1.855 0.257 -8.101 55 HD3 PRO 7 3HD PRO 7 -1.558 0.189 -9.850 56 H LEU 8 H LEU 8 -4.342 -0.116 -7.202 57 HA LEU 8 HA LEU 8 -6.679 -1.606 -6.400 58 HB2 LEU 8 2HB LEU 8 -4.645 -1.617 -5.043 59 HB3 LEU 8 3HB LEU 8 -4.798 0.121 -4.797 60 HG LEU 8 HG LEU 8 -5.522 -1.484 -2.911 61 HD11 LEU 8 1HD1 LEU 8 -6.588 0.281 -2.053 62 HD12 LEU 8 2HD1 LEU 8 -7.773 0.319 -3.358 63 HD13 LEU 8 3HD1 LEU 8 -6.198 1.082 -3.575 64 HD21 LEU 8 3HD2 LEU 8 -7.007 -2.682 -4.771 65 HD22 LEU 8 1HD2 LEU 8 -8.186 -1.498 -4.206 66 HD23 LEU 8 2HD2 LEU 8 -7.469 -2.640 -3.069 67 H ALA 9 H ALA 9 -5.876 1.680 -7.099 68 HA ALA 9 HA ALA 9 -7.832 3.028 -5.618 69 HB1 ALA 9 1HB ALA 9 -6.068 4.262 -6.654 70 HB2 ALA 9 2HB ALA 9 -6.558 3.717 -8.259 71 HB3 ALA 9 3HB ALA 9 -7.594 4.813 -7.346 72 H ALA 10 H ALA 10 -7.970 1.540 -8.826 73 HA ALA 10 HA ALA 10 -10.543 2.433 -9.530 74 HB1 ALA 10 1HB ALA 10 -8.943 0.039 -10.405 75 HB2 ALA 10 2HB ALA 10 -10.509 0.460 -11.099 76 HB3 ALA 10 3HB ALA 10 -9.151 1.576 -11.245 77 H SER 11 H SER 11 -9.446 -0.516 -7.894 78 HA SER 11 HA SER 11 -11.960 -1.767 -7.725 79 HB2 SER 11 2HB SER 11 -9.509 -2.034 -5.971 80 HB3 SER 11 3HB SER 11 -10.914 -3.097 -5.878 81 HG SER 11 HG SER 11 -10.441 -3.303 -8.294 82 H PHE 12 H PHE 12 -10.231 0.337 -5.451 83 HA PHE 12 HA PHE 12 -12.267 0.260 -3.462 84 HB2 PHE 12 2HB PHE 12 -9.782 1.844 -3.917 85 HB3 PHE 12 3HB PHE 12 -10.966 2.475 -2.777 86 HD1 PHE 12 HD1 PHE 12 -10.268 -1.099 -3.366 87 HD2 PHE 12 HD2 PHE 12 -9.721 2.242 -0.787 88 HE1 PHE 12 HE1 PHE 12 -9.381 -2.594 -1.624 89 HE2 PHE 12 HE2 PHE 12 -8.832 0.754 0.959 90 HZ PHE 12 HZ PHE 12 -8.660 -1.668 0.542 91 H ILE 13 H ILE 13 -11.714 2.166 -6.306 92 HA ILE 13 HA ILE 13 -13.484 4.304 -5.594 93 HB ILE 13 HB ILE 13 -12.074 3.494 -8.104 94 HG12 ILE 13 2HG1 ILE 13 -10.935 4.865 -6.385 95 HG13 ILE 13 3HG1 ILE 13 -11.111 5.722 -7.912 96 HG21 ILE 13 1HG2 ILE 13 -14.372 5.420 -7.903 97 HG22 ILE 13 2HG2 ILE 13 -13.170 5.507 -9.189 98 HG23 ILE 13 3HG2 ILE 13 -14.172 4.066 -9.014 99 HD11 ILE 13 3HD1 ILE 13 -11.785 6.666 -5.421 100 HD12 ILE 13 1HD1 ILE 13 -12.298 7.341 -6.967 101 HD13 ILE 13 2HD1 ILE 13 -13.336 6.197 -6.116 102 H VAL 14 H VAL 14 -13.741 1.361 -7.535 103 HA VAL 14 HA VAL 14 -16.386 1.873 -8.458 104 HB VAL 14 HB VAL 14 -14.903 -0.753 -8.257 105 HG11 VAL 14 1HG1 VAL 14 -17.460 0.026 -9.634 106 HG12 VAL 14 2HG1 VAL 14 -16.526 -1.398 -10.096 107 HG13 VAL 14 3HG1 VAL 14 -17.194 -1.271 -8.469 108 HG21 VAL 14 3HG2 VAL 14 -14.409 1.477 -9.883 109 HG22 VAL 14 1HG2 VAL 14 -13.740 -0.146 -10.051 110 HG23 VAL 14 2HG2 VAL 14 -15.213 0.295 -10.915 111 H ARG 15 H ARG 15 -15.077 0.669 -5.518 112 HA ARG 15 HA ARG 15 -17.455 -0.742 -4.699 113 HB2 ARG 15 2HB ARG 15 -16.104 -1.632 -3.157 114 HB3 ARG 15 3HB ARG 15 -14.787 -0.729 -3.894 115 HG2 ARG 15 2HG ARG 15 -15.186 1.124 -2.360 116 HG3 ARG 15 3HG ARG 15 -16.523 0.233 -1.629 117 HD2 ARG 15 2HD ARG 15 -13.623 -0.597 -1.662 118 HD3 ARG 15 3HD ARG 15 -14.513 0.032 -0.275 119 HE ARG 15 HE ARG 15 -14.576 -2.647 -1.302 120 HH11 ARG 15 1HH1 ARG 15 -16.337 -0.237 0.489 121 HH12 ARG 15 2HH1 ARG 15 -17.303 -1.392 1.346 122 HH21 ARG 15 1HH2 ARG 15 -15.841 -4.177 -0.181 123 HH22 ARG 15 2HH2 ARG 15 -17.020 -3.633 0.965 124 H CYS 16 H CYS 16 -15.957 2.389 -4.068 125 HA CYS 16 HA CYS 16 -18.038 3.143 -2.197 126 HB2 CYS 16 2HB CYS 16 -15.739 4.740 -3.346 127 HB3 CYS 16 3HB CYS 16 -16.817 5.291 -2.070 128 HG CYS 16 HG CYS 16 -14.143 3.320 -1.885 129 H ALA 17 H ALA 17 -17.138 3.759 -5.531 130 HA ALA 17 HA ALA 17 -18.838 5.935 -6.039 131 HB1 ALA 17 1HB ALA 17 -17.944 3.799 -7.971 132 HB2 ALA 17 2HB ALA 17 -18.558 5.399 -8.387 133 HB3 ALA 17 3HB ALA 17 -17.020 5.238 -7.539 134 H PHE 18 H PHE 18 -19.389 2.452 -6.149 135 HA PHE 18 HA PHE 18 -21.984 2.608 -7.300 136 HB2 PHE 18 2HB PHE 18 -20.365 0.580 -7.138 137 HB3 PHE 18 3HB PHE 18 -21.085 0.339 -5.549 138 HD1 PHE 18 HD2 PHE 18 -22.333 1.142 -8.978 139 HD2 PHE 18 HD1 PHE 18 -22.697 -1.278 -5.496 140 HE1 PHE 18 HE2 PHE 18 -24.208 -0.065 -10.017 141 HE2 PHE 18 HE1 PHE 18 -24.573 -2.489 -6.529 142 HZ PHE 18 HZ PHE 18 -25.332 -1.882 -8.793 143 H GLU 19 H GLU 19 -20.769 2.478 -3.991 144 HA GLU 19 HA GLU 19 -23.403 2.352 -2.835 145 HB2 GLU 19 2HB GLU 19 -20.843 3.068 -1.411 146 HB3 GLU 19 3HB GLU 19 -22.310 2.391 -0.718 147 HG2 GLU 19 2HG GLU 19 -20.820 0.856 -2.793 148 HG3 GLU 19 3HG GLU 19 -20.232 0.885 -1.132 149 H HIS 20 H HIS 20 -21.158 4.826 -3.761 150 HA HIS 20 HA HIS 20 -22.241 6.920 -2.166 151 HB2 HIS 20 2HB HIS 20 -19.955 6.949 -3.175 152 HB3 HIS 20 3HB HIS 20 -20.699 7.161 -4.757 153 HD1 HIS 20 HD1 HIS 20 -22.401 9.397 -4.770 154 HD2 HIS 20 HD2 HIS 20 -19.254 9.301 -2.060 155 HE1 HIS 20 HE1 HIS 20 -22.025 11.789 -4.091 156 H SER 21 H SER 21 -22.900 5.683 -5.388 157 HA SER 21 HA SER 21 -24.752 7.818 -6.004 158 HB2 SER 21 2HB SER 21 -24.254 5.237 -7.506 159 HB3 SER 21 3HB SER 21 -25.089 6.665 -8.117 160 HG SER 21 HG SER 21 -22.506 7.017 -7.139 161 H ARG 22 H ARG 22 -24.872 4.483 -4.921 162 HA ARG 22 HA ARG 22 -27.566 3.926 -5.337 163 HB2 ARG 22 2HB ARG 22 -25.581 2.462 -4.407 164 HB3 ARG 22 3HB ARG 22 -26.217 2.967 -2.847 165 HG2 ARG 22 2HG ARG 22 -28.434 2.076 -3.531 166 HG3 ARG 22 3HG ARG 22 -27.676 1.448 -4.995 167 HD2 ARG 22 2HD ARG 22 -26.147 0.112 -3.616 168 HD3 ARG 22 3HD ARG 22 -26.930 0.730 -2.162 169 HE ARG 22 HE ARG 22 -27.882 -1.352 -3.881 170 HH11 ARG 22 1HH1 ARG 22 -28.846 1.156 -1.668 171 HH12 ARG 22 2HH1 ARG 22 -30.342 0.390 -1.246 172 HH21 ARG 22 1HH2 ARG 22 -29.848 -2.371 -3.334 173 HH22 ARG 22 2HH2 ARG 22 -30.910 -1.617 -2.194 174 H ARG 23 H ARG 23 -25.978 5.559 -2.629 175 HA ARG 23 HA ARG 23 -28.173 5.778 -0.922 176 HB2 ARG 23 2HB ARG 23 -26.179 6.376 0.083 177 HB3 ARG 23 3HB ARG 23 -25.650 7.333 -1.294 178 HG2 ARG 23 2HG ARG 23 -26.787 9.193 -0.619 179 HG3 ARG 23 3HG ARG 23 -28.020 8.264 0.235 180 HD2 ARG 23 2HD ARG 23 -25.957 7.607 1.753 181 HD3 ARG 23 3HD ARG 23 -25.321 9.131 1.134 182 HE ARG 23 HE ARG 23 -27.997 9.322 2.168 183 HH11 ARG 23 1HH1 ARG 23 -24.606 9.430 2.949 184 HH12 ARG 23 2HH1 ARG 23 -24.832 10.388 4.375 185 HH21 ARG 23 1HH2 ARG 23 -28.307 10.584 4.043 186 HH22 ARG 23 2HH2 ARG 23 -26.937 11.043 4.997 187 H PHE 24 H PHE 24 -27.349 7.542 -3.803 188 HA PHE 24 HA PHE 24 -29.248 9.662 -3.318 189 HB2 PHE 24 2HB PHE 24 -27.093 9.917 -4.635 190 HB3 PHE 24 3HB PHE 24 -27.875 9.010 -5.926 191 HD1 PHE 24 HD2 PHE 24 -29.822 9.960 -7.100 192 HD2 PHE 24 HD1 PHE 24 -27.620 12.196 -4.225 193 HE1 PHE 24 HE2 PHE 24 -30.825 12.038 -7.953 194 HE2 PHE 24 HE1 PHE 24 -28.620 14.278 -5.073 195 HZ PHE 24 HZ PHE 24 -30.224 14.201 -6.940 196 H THR 25 H THR 25 -29.056 6.746 -5.293 197 HA THR 25 HA THR 25 -31.676 7.214 -6.448 198 HB THR 25 HB THR 25 -29.717 6.118 -7.679 199 HG1 THR 25 HG1 THR 25 -31.357 4.419 -8.492 200 HG21 THR 25 3HG2 THR 25 -28.962 4.079 -7.105 201 HG22 THR 25 1HG2 THR 25 -30.580 3.477 -6.748 202 HG23 THR 25 2HG2 THR 25 -29.701 4.413 -5.539 Start of MODEL 19 1 H1 GLN 1 H GLN 1 0.252 -0.249 -0.318 2 HA GLN 1 HA GLN 1 3.048 0.427 -0.787 3 HB2 GLN 1 2HB GLN 1 1.616 -1.659 -2.440 4 HB3 GLN 1 3HB GLN 1 3.253 -1.069 -2.697 5 HG2 GLN 1 2HG GLN 1 2.947 -2.041 -0.012 6 HG3 GLN 1 3HG GLN 1 2.452 -3.266 -1.178 7 HE21 GLN 1 1HE2 GLN 1 4.894 -2.662 0.638 8 HE22 GLN 1 2HE2 GLN 1 6.232 -3.011 -0.396 9 H ARG 2 H ARG 2 3.390 1.748 -2.586 10 HA ARG 2 HA ARG 2 1.112 3.307 -3.371 11 HB2 ARG 2 2HB ARG 2 3.874 3.517 -4.551 12 HB3 ARG 2 3HB ARG 2 2.654 4.775 -4.402 13 HG2 ARG 2 2HG ARG 2 3.174 5.220 -2.243 14 HG3 ARG 2 3HG ARG 2 3.634 3.553 -1.893 15 HD2 ARG 2 2HD ARG 2 5.688 4.563 -1.847 16 HD3 ARG 2 3HD ARG 2 5.605 4.094 -3.545 17 HE ARG 2 HE ARG 2 4.542 6.684 -3.219 18 HH11 ARG 2 1HH1 ARG 2 7.571 4.969 -3.166 19 HH12 ARG 2 2HH1 ARG 2 8.507 6.343 -3.655 20 HH21 ARG 2 1HH2 ARG 2 5.762 8.499 -3.864 21 HH22 ARG 2 2HH2 ARG 2 7.477 8.351 -4.051 22 H SER 3 H SER 3 3.302 1.035 -4.969 23 HA SER 3 HA SER 3 2.372 1.340 -7.586 24 HB2 SER 3 2HB SER 3 4.423 0.056 -6.821 25 HB3 SER 3 3HB SER 3 3.335 -1.266 -6.397 26 HG SER 3 HG SER 3 3.793 -0.143 -8.958 27 H ASN 4 H ASN 4 1.212 -0.700 -4.949 28 HA ASN 4 HA ASN 4 -0.809 -1.947 -6.585 29 HB2 ASN 4 2HB ASN 4 -0.361 -2.007 -3.592 30 HB3 ASN 4 3HB ASN 4 -1.536 -2.995 -4.456 31 HD21 ASN 4 1HD2 ASN 4 -0.725 -4.519 -6.020 32 HD22 ASN 4 2HD2 ASN 4 0.840 -5.216 -5.798 33 H PHE 5 H PHE 5 -0.522 0.914 -4.739 34 HA PHE 5 HA PHE 5 -3.213 1.275 -3.962 35 HB2 PHE 5 2HB PHE 5 -1.253 2.557 -3.065 36 HB3 PHE 5 3HB PHE 5 -1.195 3.437 -4.589 37 HD1 PHE 5 HD2 PHE 5 -4.088 2.407 -2.485 38 HD2 PHE 5 HD1 PHE 5 -1.816 5.609 -4.127 39 HE1 PHE 5 HE2 PHE 5 -5.732 4.016 -1.612 40 HE2 PHE 5 HE1 PHE 5 -3.455 7.224 -3.256 41 HZ PHE 5 HZ PHE 5 -5.417 6.428 -1.998 42 H HIS 6 H HIS 6 -1.428 2.124 -6.881 43 HA HIS 6 HA HIS 6 -3.326 3.752 -8.113 44 HB2 HIS 6 2HB HIS 6 -1.026 2.119 -9.016 45 HB3 HIS 6 3HB HIS 6 -2.208 2.538 -10.252 46 HD1 HIS 6 HD1 HIS 6 -0.891 4.267 -11.513 47 HD2 HIS 6 HD2 HIS 6 -1.030 5.021 -7.429 48 HE1 HIS 6 HE1 HIS 6 0.105 6.558 -11.218 49 HA PRO 7 HA PRO 7 -5.123 -0.216 -10.216 50 HB2 PRO 7 2HB PRO 7 -4.360 -2.611 -9.191 51 HB3 PRO 7 3HB PRO 7 -3.486 -1.803 -10.498 52 HG2 PRO 7 2HG PRO 7 -2.869 -1.876 -7.569 53 HG3 PRO 7 3HG PRO 7 -1.768 -2.042 -8.949 54 HD2 PRO 7 2HD PRO 7 -2.034 0.271 -7.567 55 HD3 PRO 7 3HD PRO 7 -1.668 0.233 -9.304 56 H LEU 8 H LEU 8 -4.560 -0.088 -6.776 57 HA LEU 8 HA LEU 8 -6.944 -1.564 -6.098 58 HB2 LEU 8 2HB LEU 8 -4.969 -1.629 -4.659 59 HB3 LEU 8 3HB LEU 8 -5.106 0.107 -4.388 60 HG LEU 8 HG LEU 8 -5.929 -1.518 -2.561 61 HD11 LEU 8 1HD1 LEU 8 -8.131 0.329 -3.068 62 HD12 LEU 8 2HD1 LEU 8 -6.537 1.068 -3.203 63 HD13 LEU 8 3HD1 LEU 8 -7.004 0.247 -1.714 64 HD21 LEU 8 3HD2 LEU 8 -7.358 -2.658 -4.503 65 HD22 LEU 8 1HD2 LEU 8 -8.540 -1.469 -3.956 66 HD23 LEU 8 2HD2 LEU 8 -7.881 -2.645 -2.818 67 H ALA 9 H ALA 9 -6.074 1.726 -6.694 68 HA ALA 9 HA ALA 9 -8.077 3.066 -5.268 69 HB1 ALA 9 1HB ALA 9 -7.742 4.887 -6.939 70 HB2 ALA 9 2HB ALA 9 -6.253 4.299 -6.199 71 HB3 ALA 9 3HB ALA 9 -6.682 3.799 -7.835 72 H ALA 10 H ALA 10 -8.090 1.650 -8.510 73 HA ALA 10 HA ALA 10 -10.619 2.591 -9.307 74 HB1 ALA 10 1HB ALA 10 -9.013 0.195 -10.164 75 HB2 ALA 10 2HB ALA 10 -10.539 0.656 -10.919 76 HB3 ALA 10 3HB ALA 10 -9.160 1.754 -10.977 77 H SER 11 H SER 11 -9.630 -0.407 -7.691 78 HA SER 11 HA SER 11 -12.166 -1.626 -7.661 79 HB2 SER 11 2HB SER 11 -9.793 -1.969 -5.815 80 HB3 SER 11 3HB SER 11 -11.216 -3.011 -5.798 81 HG SER 11 HG SER 11 -9.662 -2.566 -8.123 82 H PHE 12 H PHE 12 -10.509 0.404 -5.269 83 HA PHE 12 HA PHE 12 -12.630 0.308 -3.370 84 HB2 PHE 12 2HB PHE 12 -10.107 1.869 -3.680 85 HB3 PHE 12 3HB PHE 12 -11.331 2.486 -2.576 86 HD1 PHE 12 HD2 PHE 12 -10.617 -1.076 -3.236 87 HD2 PHE 12 HD1 PHE 12 -10.207 2.184 -0.531 88 HE1 PHE 12 HE2 PHE 12 -9.822 -2.624 -1.497 89 HE2 PHE 12 HE1 PHE 12 -9.410 0.642 1.213 90 HZ PHE 12 HZ PHE 12 -9.218 -1.766 0.731 91 H ILE 13 H ILE 13 -11.934 2.267 -6.145 92 HA ILE 13 HA ILE 13 -13.710 4.411 -5.456 93 HB ILE 13 HB ILE 13 -12.190 3.653 -7.919 94 HG12 ILE 13 2HG1 ILE 13 -11.115 4.956 -6.108 95 HG13 ILE 13 3HG1 ILE 13 -11.209 5.861 -7.616 96 HG21 ILE 13 1HG2 ILE 13 -14.469 5.606 -7.767 97 HG22 ILE 13 2HG2 ILE 13 -13.207 5.712 -8.993 98 HG23 ILE 13 3HG2 ILE 13 -14.235 4.282 -8.908 99 HD11 ILE 13 3HD1 ILE 13 -11.987 6.738 -5.129 100 HD12 ILE 13 1HD1 ILE 13 -12.415 7.468 -6.676 101 HD13 ILE 13 2HD1 ILE 13 -13.509 6.315 -5.913 102 H VAL 14 H VAL 14 -13.901 1.520 -7.481 103 HA VAL 14 HA VAL 14 -16.489 2.085 -8.525 104 HB VAL 14 HB VAL 14 -15.040 -0.557 -8.310 105 HG11 VAL 14 1HG1 VAL 14 -17.658 0.223 -9.436 106 HG12 VAL 14 2HG1 VAL 14 -16.665 -0.856 -10.419 107 HG13 VAL 14 3HG1 VAL 14 -17.118 -1.322 -8.778 108 HG21 VAL 14 3HG2 VAL 14 -14.523 1.717 -9.907 109 HG22 VAL 14 1HG2 VAL 14 -13.770 0.124 -9.999 110 HG23 VAL 14 2HG2 VAL 14 -15.204 0.479 -10.963 111 H ARG 15 H ARG 15 -15.345 0.785 -5.554 112 HA ARG 15 HA ARG 15 -17.791 -0.594 -4.891 113 HB2 ARG 15 2HB ARG 15 -16.527 -1.572 -3.330 114 HB3 ARG 15 3HB ARG 15 -15.160 -0.662 -3.960 115 HG2 ARG 15 2HG ARG 15 -15.510 1.088 -2.358 116 HG3 ARG 15 3HG ARG 15 -17.007 0.334 -1.803 117 HD2 ARG 15 2HD ARG 15 -14.834 -0.001 -0.433 118 HD3 ARG 15 3HD ARG 15 -15.895 -1.380 -0.720 119 HE ARG 15 HE ARG 15 -13.792 -1.059 -2.668 120 HH11 ARG 15 1HH1 ARG 15 -14.729 -2.480 0.368 121 HH12 ARG 15 2HH1 ARG 15 -13.540 -3.738 0.296 122 HH21 ARG 15 1HH2 ARG 15 -12.222 -2.710 -2.775 123 HH22 ARG 15 2HH2 ARG 15 -12.114 -3.867 -1.493 124 H CYS 16 H CYS 16 -16.249 2.478 -4.100 125 HA CYS 16 HA CYS 16 -18.382 3.230 -2.291 126 HB2 CYS 16 2HB CYS 16 -16.039 4.842 -3.325 127 HB3 CYS 16 3HB CYS 16 -17.127 5.326 -2.029 128 HG CYS 16 HG CYS 16 -14.414 3.457 -1.893 129 H ALA 17 H ALA 17 -17.342 3.929 -5.570 130 HA ALA 17 HA ALA 17 -19.006 6.138 -6.070 131 HB1 ALA 17 1HB ALA 17 -18.044 4.075 -8.048 132 HB2 ALA 17 2HB ALA 17 -18.612 5.703 -8.417 133 HB3 ALA 17 3HB ALA 17 -17.118 5.476 -7.508 134 H PHE 18 H PHE 18 -19.563 2.666 -6.328 135 HA PHE 18 HA PHE 18 -22.128 2.916 -7.561 136 HB2 PHE 18 2HB PHE 18 -20.509 0.883 -7.545 137 HB3 PHE 18 3HB PHE 18 -21.255 0.505 -5.995 138 HD1 PHE 18 HD1 PHE 18 -21.766 0.729 -9.608 139 HD2 PHE 18 HD2 PHE 18 -23.544 -0.240 -5.865 140 HE1 PHE 18 HE1 PHE 18 -23.620 -0.386 -10.781 141 HE2 PHE 18 HE2 PHE 18 -25.399 -1.358 -7.031 142 HZ PHE 18 HZ PHE 18 -25.439 -1.433 -9.492 143 H GLU 19 H GLU 19 -20.970 2.536 -4.255 144 HA GLU 19 HA GLU 19 -23.611 2.270 -3.149 145 HB2 GLU 19 2HB GLU 19 -21.938 1.197 -1.896 146 HB3 GLU 19 3HB GLU 19 -20.863 2.585 -1.976 147 HG2 GLU 19 2HG GLU 19 -21.834 3.617 -0.223 148 HG3 GLU 19 3HG GLU 19 -23.443 3.016 -0.618 149 H HIS 20 H HIS 20 -21.424 4.865 -3.866 150 HA HIS 20 HA HIS 20 -22.592 6.815 -2.152 151 HB2 HIS 20 2HB HIS 20 -20.303 7.010 -3.090 152 HB3 HIS 20 3HB HIS 20 -21.001 7.237 -4.691 153 HD1 HIS 20 HD1 HIS 20 -21.865 9.549 -5.277 154 HD2 HIS 20 HD2 HIS 20 -20.685 9.202 -1.308 155 HE1 HIS 20 HE1 HIS 20 -21.857 11.894 -4.371 156 H SER 21 H SER 21 -23.173 5.783 -5.462 157 HA SER 21 HA SER 21 -25.083 7.898 -5.955 158 HB2 SER 21 2HB SER 21 -24.486 5.444 -7.624 159 HB3 SER 21 3HB SER 21 -25.358 6.884 -8.147 160 HG SER 21 HG SER 21 -22.798 7.244 -7.111 161 H ARG 22 H ARG 22 -25.112 4.496 -5.102 162 HA ARG 22 HA ARG 22 -27.781 3.886 -5.596 163 HB2 ARG 22 2HB ARG 22 -25.761 2.426 -4.734 164 HB3 ARG 22 3HB ARG 22 -26.440 2.802 -3.156 165 HG2 ARG 22 2HG ARG 22 -28.613 1.887 -3.936 166 HG3 ARG 22 3HG ARG 22 -27.815 1.392 -5.430 167 HD2 ARG 22 2HD ARG 22 -27.696 -0.537 -4.172 168 HD3 ARG 22 3HD ARG 22 -26.139 0.215 -3.824 169 HE ARG 22 HE ARG 22 -28.217 0.906 -1.956 170 HH11 ARG 22 1HH1 ARG 22 -25.717 -1.380 -2.758 171 HH12 ARG 22 2HH1 ARG 22 -25.523 -1.938 -1.129 172 HH21 ARG 22 1HH2 ARG 22 -27.971 0.181 0.192 173 HH22 ARG 22 2HH2 ARG 22 -26.807 -1.050 0.548 174 H ARG 23 H ARG 23 -26.282 5.379 -2.760 175 HA ARG 23 HA ARG 23 -28.505 5.416 -1.077 176 HB2 ARG 23 2HB ARG 23 -26.541 6.002 -0.005 177 HB3 ARG 23 3HB ARG 23 -26.028 7.071 -1.304 178 HG2 ARG 23 2HG ARG 23 -27.233 8.841 -0.516 179 HG3 ARG 23 3HG ARG 23 -28.446 7.814 0.253 180 HD2 ARG 23 2HD ARG 23 -27.295 7.690 2.180 181 HD3 ARG 23 3HD ARG 23 -25.743 7.546 1.357 182 HE ARG 23 HE ARG 23 -26.907 9.925 2.410 183 HH11 ARG 23 1HH1 ARG 23 -24.859 8.692 -0.121 184 HH12 ARG 23 2HH1 ARG 23 -23.999 10.182 -0.330 185 HH21 ARG 23 1HH2 ARG 23 -25.782 11.892 2.145 186 HH22 ARG 23 2HH2 ARG 23 -24.524 12.001 0.961 187 H PHE 24 H PHE 24 -27.701 7.391 -3.822 188 HA PHE 24 HA PHE 24 -29.665 9.421 -3.224 189 HB2 PHE 24 2HB PHE 24 -27.506 9.820 -4.497 190 HB3 PHE 24 3HB PHE 24 -28.248 8.977 -5.852 191 HD1 PHE 24 HD2 PHE 24 -30.469 9.903 -6.733 192 HD2 PHE 24 HD1 PHE 24 -27.842 12.094 -4.199 193 HE1 PHE 24 HE2 PHE 24 -31.523 12.004 -7.461 194 HE2 PHE 24 HE1 PHE 24 -28.893 14.198 -4.923 195 HZ PHE 24 HZ PHE 24 -30.735 14.155 -6.557 196 H THR 25 H THR 25 -29.371 6.644 -5.380 197 HA THR 25 HA THR 25 -31.995 7.113 -6.527 198 HB THR 25 HB THR 25 -29.990 6.161 -7.809 199 HG1 THR 25 HG1 THR 25 -31.418 4.830 -9.036 200 HG21 THR 25 3HG2 THR 25 -29.686 4.406 -5.884 201 HG22 THR 25 1HG2 THR 25 -29.363 3.955 -7.558 202 HG23 THR 25 2HG2 THR 25 -30.888 3.496 -6.800 Start of MODEL 20 1 H1 GLN 1 H GLN 1 4.408 0.078 -2.442 2 HA GLN 1 HA GLN 1 2.255 -0.999 -2.226 3 HB2 GLN 1 2HB GLN 1 2.365 -0.124 0.285 4 HB3 GLN 1 3HB GLN 1 1.329 1.137 -0.369 5 HG2 GLN 1 2HG GLN 1 -0.323 -0.272 0.153 6 HG3 GLN 1 3HG GLN 1 0.119 -1.068 -1.356 7 HE21 GLN 1 1HE2 GLN 1 1.525 -2.903 -1.248 8 HE22 GLN 1 2HE2 GLN 1 1.561 -3.884 0.173 9 H ARG 2 H ARG 2 3.577 1.681 -3.321 10 HA ARG 2 HA ARG 2 1.280 3.226 -4.079 11 HB2 ARG 2 2HB ARG 2 4.000 3.376 -5.364 12 HB3 ARG 2 3HB ARG 2 2.792 4.646 -5.217 13 HG2 ARG 2 2HG ARG 2 3.392 5.165 -3.095 14 HG3 ARG 2 3HG ARG 2 3.855 3.508 -2.703 15 HD2 ARG 2 2HD ARG 2 5.832 3.842 -4.252 16 HD3 ARG 2 3HD ARG 2 5.415 5.556 -4.259 17 HE ARG 2 HE ARG 2 6.749 4.132 -2.186 18 HH11 ARG 2 1HH1 ARG 2 4.532 6.747 -2.793 19 HH12 ARG 2 2HH1 ARG 2 4.939 7.602 -1.342 20 HH21 ARG 2 1HH2 ARG 2 7.293 5.248 -0.272 21 HH22 ARG 2 2HH2 ARG 2 6.510 6.749 0.091 22 H SER 3 H SER 3 3.400 0.884 -5.672 23 HA SER 3 HA SER 3 2.378 1.102 -8.263 24 HB2 SER 3 2HB SER 3 4.448 -0.169 -7.526 25 HB3 SER 3 3HB SER 3 3.369 -1.467 -7.017 26 HG SER 3 HG SER 3 3.419 -0.389 -9.640 27 H ASN 4 H ASN 4 1.303 -0.836 -5.514 28 HA ASN 4 HA ASN 4 -0.783 -2.127 -7.031 29 HB2 ASN 4 2HB ASN 4 -0.227 -2.083 -4.056 30 HB3 ASN 4 3HB ASN 4 -1.437 -3.093 -4.841 31 HD21 ASN 4 1HD2 ASN 4 -0.057 -4.700 -3.639 32 HD22 ASN 4 2HD2 ASN 4 1.266 -5.390 -4.510 33 H PHE 5 H PHE 5 -0.415 0.796 -5.300 34 HA PHE 5 HA PHE 5 -3.074 1.203 -4.441 35 HB2 PHE 5 2HB PHE 5 -1.075 2.503 -3.662 36 HB3 PHE 5 3HB PHE 5 -1.068 3.327 -5.217 37 HD1 PHE 5 HD1 PHE 5 -3.818 2.405 -2.874 38 HD2 PHE 5 HD2 PHE 5 -1.733 5.504 -4.914 39 HE1 PHE 5 HE1 PHE 5 -5.422 4.055 -2.001 40 HE2 PHE 5 HE2 PHE 5 -3.332 7.158 -4.044 41 HZ PHE 5 HZ PHE 5 -5.179 6.435 -2.584 42 H HIS 6 H HIS 6 -1.390 1.934 -7.451 43 HA HIS 6 HA HIS 6 -3.323 3.529 -8.672 44 HB2 HIS 6 2HB HIS 6 -1.066 1.850 -9.597 45 HB3 HIS 6 3HB HIS 6 -2.289 2.232 -10.805 46 HD1 HIS 6 HD1 HIS 6 0.332 3.827 -8.656 47 HD2 HIS 6 HD2 HIS 6 -2.343 4.887 -11.652 48 HE1 HIS 6 HE1 HIS 6 1.009 6.139 -9.374 49 HA PRO 7 HA PRO 7 -5.216 -0.499 -10.565 50 HB2 PRO 7 2HB PRO 7 -4.428 -2.861 -9.482 51 HB3 PRO 7 3HB PRO 7 -3.598 -2.106 -10.848 52 HG2 PRO 7 2HG PRO 7 -2.877 -2.078 -7.943 53 HG3 PRO 7 3HG PRO 7 -1.827 -2.301 -9.354 54 HD2 PRO 7 2HD PRO 7 -2.030 0.062 -8.048 55 HD3 PRO 7 3HD PRO 7 -1.728 -0.040 -9.794 56 H LEU 8 H LEU 8 -4.528 -0.252 -7.154 57 HA LEU 8 HA LEU 8 -6.894 -1.687 -6.338 58 HB2 LEU 8 2HB LEU 8 -4.867 -1.712 -4.972 59 HB3 LEU 8 3HB LEU 8 -4.989 0.033 -4.755 60 HG LEU 8 HG LEU 8 -5.750 -1.528 -2.846 61 HD11 LEU 8 1HD1 LEU 8 -6.376 1.039 -3.554 62 HD12 LEU 8 2HD1 LEU 8 -6.788 0.270 -2.021 63 HD13 LEU 8 3HD1 LEU 8 -7.966 0.309 -3.333 64 HD21 LEU 8 3HD2 LEU 8 -8.408 -1.515 -4.153 65 HD22 LEU 8 1HD2 LEU 8 -7.716 -2.651 -2.994 66 HD23 LEU 8 2HD2 LEU 8 -7.248 -2.729 -4.693 67 H ALA 9 H ALA 9 -6.029 1.573 -7.086 68 HA ALA 9 HA ALA 9 -7.968 2.979 -5.636 69 HB1 ALA 9 1HB ALA 9 -6.669 3.602 -8.282 70 HB2 ALA 9 2HB ALA 9 -7.690 4.732 -7.391 71 HB3 ALA 9 3HB ALA 9 -6.177 4.165 -6.685 72 H ALA 10 H ALA 10 -8.117 1.443 -8.820 73 HA ALA 10 HA ALA 10 -10.670 2.370 -9.552 74 HB1 ALA 10 1HB ALA 10 -10.666 0.374 -11.090 75 HB2 ALA 10 2HB ALA 10 -9.285 1.460 -11.245 76 HB3 ALA 10 3HB ALA 10 -9.112 -0.067 -10.381 77 H SER 11 H SER 11 -9.634 -0.571 -7.863 78 HA SER 11 HA SER 11 -12.173 -1.773 -7.686 79 HB2 SER 11 2HB SER 11 -9.734 -2.058 -5.918 80 HB3 SER 11 3HB SER 11 -11.158 -3.091 -5.812 81 HG SER 11 HG SER 11 -9.147 -3.023 -7.715 82 H PHE 12 H PHE 12 -10.415 0.336 -5.438 83 HA PHE 12 HA PHE 12 -12.460 0.327 -3.457 84 HB2 PHE 12 2HB PHE 12 -9.944 1.858 -3.926 85 HB3 PHE 12 3HB PHE 12 -11.122 2.529 -2.802 86 HD1 PHE 12 HD2 PHE 12 -10.486 -1.066 -3.330 87 HD2 PHE 12 HD1 PHE 12 -9.890 2.307 -0.803 88 HE1 PHE 12 HE2 PHE 12 -9.634 -2.547 -1.560 89 HE2 PHE 12 HE1 PHE 12 -9.036 0.831 0.971 90 HZ PHE 12 HZ PHE 12 -8.908 -1.599 0.595 91 H ILE 13 H ILE 13 -11.861 2.177 -6.329 92 HA ILE 13 HA ILE 13 -13.597 4.357 -5.659 93 HB ILE 13 HB ILE 13 -12.187 3.486 -8.149 94 HG12 ILE 13 2HG1 ILE 13 -11.031 4.859 -6.443 95 HG13 ILE 13 3HG1 ILE 13 -11.185 5.699 -7.982 96 HG21 ILE 13 1HG2 ILE 13 -14.449 5.457 -7.987 97 HG22 ILE 13 2HG2 ILE 13 -13.239 5.503 -9.268 98 HG23 ILE 13 3HG2 ILE 13 -14.268 4.084 -9.079 99 HD11 ILE 13 3HD1 ILE 13 -11.854 6.686 -5.505 100 HD12 ILE 13 1HD1 ILE 13 -12.344 7.352 -7.063 101 HD13 ILE 13 2HD1 ILE 13 -13.409 6.238 -6.206 102 H VAL 14 H VAL 14 -13.892 1.389 -7.557 103 HA VAL 14 HA VAL 14 -16.522 1.933 -8.506 104 HB VAL 14 HB VAL 14 -15.082 -0.713 -8.255 105 HG11 VAL 14 1HG1 VAL 14 -17.082 -1.583 -8.737 106 HG12 VAL 14 2HG1 VAL 14 -17.769 -0.006 -9.127 107 HG13 VAL 14 3HG1 VAL 14 -16.860 -0.899 -10.347 108 HG21 VAL 14 3HG2 VAL 14 -15.374 0.308 -10.930 109 HG22 VAL 14 1HG2 VAL 14 -14.539 1.479 -9.908 110 HG23 VAL 14 2HG2 VAL 14 -13.910 -0.161 -10.064 111 H ARG 15 H ARG 15 -15.253 0.746 -5.540 112 HA ARG 15 HA ARG 15 -17.667 -0.602 -4.717 113 HB2 ARG 15 2HB ARG 15 -16.343 -1.508 -3.160 114 HB3 ARG 15 3HB ARG 15 -15.002 -0.644 -3.900 115 HG2 ARG 15 2HG ARG 15 -15.366 1.234 -2.388 116 HG3 ARG 15 3HG ARG 15 -16.725 0.381 -1.653 117 HD2 ARG 15 2HD ARG 15 -15.243 -1.384 -0.898 118 HD3 ARG 15 3HD ARG 15 -13.879 -0.615 -1.707 119 HE ARG 15 HE ARG 15 -13.718 0.872 0.036 120 HH11 ARG 15 1HH1 ARG 15 -16.739 -0.845 0.245 121 HH12 ARG 15 2HH1 ARG 15 -17.123 -0.241 1.822 122 HH21 ARG 15 1HH2 ARG 15 -14.212 1.674 2.113 123 HH22 ARG 15 2HH2 ARG 15 -15.685 1.193 2.884 124 H CYS 16 H CYS 16 -16.099 2.501 -4.121 125 HA CYS 16 HA CYS 16 -18.159 3.326 -2.259 126 HB2 CYS 16 2HB CYS 16 -15.838 4.866 -3.442 127 HB3 CYS 16 3HB CYS 16 -16.895 5.446 -2.160 128 HG CYS 16 HG CYS 16 -14.251 3.436 -1.984 129 H ALA 17 H ALA 17 -17.250 3.887 -5.602 130 HA ALA 17 HA ALA 17 -18.924 6.081 -6.131 131 HB1 ALA 17 1HB ALA 17 -17.103 5.340 -7.616 132 HB2 ALA 17 2HB ALA 17 -18.060 3.923 -8.053 133 HB3 ALA 17 3HB ALA 17 -18.634 5.538 -8.470 134 H PHE 18 H PHE 18 -19.511 2.603 -6.217 135 HA PHE 18 HA PHE 18 -22.131 2.828 -7.338 136 HB2 PHE 18 2HB PHE 18 -20.521 0.619 -6.120 137 HB3 PHE 18 3HB PHE 18 -22.252 0.393 -6.348 138 HD1 PHE 18 HD2 PHE 18 -19.607 2.006 -8.426 139 HD2 PHE 18 HD1 PHE 18 -22.622 -0.985 -8.143 140 HE1 PHE 18 HE2 PHE 18 -19.212 1.390 -10.775 141 HE2 PHE 18 HE1 PHE 18 -22.231 -1.606 -10.491 142 HZ PHE 18 HZ PHE 18 -20.525 -0.418 -11.811 143 H GLU 19 H GLU 19 -20.817 2.533 -4.079 144 HA GLU 19 HA GLU 19 -23.394 2.316 -2.834 145 HB2 GLU 19 2HB GLU 19 -21.656 1.302 -1.624 146 HB3 GLU 19 3HB GLU 19 -20.592 2.688 -1.816 147 HG2 GLU 19 2HG GLU 19 -21.475 3.787 -0.057 148 HG3 GLU 19 3HG GLU 19 -23.101 3.169 -0.346 149 H HIS 20 H HIS 20 -21.258 4.893 -3.752 150 HA HIS 20 HA HIS 20 -22.353 6.902 -2.062 151 HB2 HIS 20 2HB HIS 20 -20.116 7.071 -3.122 152 HB3 HIS 20 3HB HIS 20 -20.896 7.231 -4.693 153 HD1 HIS 20 HD1 HIS 20 -20.715 9.586 -5.399 154 HD2 HIS 20 HD2 HIS 20 -21.516 9.258 -1.335 155 HE1 HIS 20 HE1 HIS 20 -20.955 11.948 -4.568 156 H SER 21 H SER 21 -23.093 5.742 -5.297 157 HA SER 21 HA SER 21 -25.041 7.826 -5.770 158 HB2 SER 21 2HB SER 21 -24.509 5.316 -7.376 159 HB3 SER 21 3HB SER 21 -25.418 6.731 -7.907 160 HG SER 21 HG SER 21 -22.784 7.079 -7.026 161 H ARG 22 H ARG 22 -25.000 4.459 -4.790 162 HA ARG 22 HA ARG 22 -27.684 3.812 -5.128 163 HB2 ARG 22 2HB ARG 22 -25.609 2.403 -4.307 164 HB3 ARG 22 3HB ARG 22 -26.219 2.832 -2.715 165 HG2 ARG 22 2HG ARG 22 -28.414 1.867 -3.354 166 HG3 ARG 22 3HG ARG 22 -27.686 1.329 -4.869 167 HD2 ARG 22 2HD ARG 22 -26.001 0.510 -2.733 168 HD3 ARG 22 3HD ARG 22 -27.656 0.053 -2.332 169 HE ARG 22 HE ARG 22 -27.276 -0.725 -4.945 170 HH11 ARG 22 1HH1 ARG 22 -25.815 -1.415 -1.861 171 HH12 ARG 22 2HH1 ARG 22 -25.351 -3.027 -2.295 172 HH21 ARG 22 1HH2 ARG 22 -26.669 -2.845 -5.528 173 HH22 ARG 22 2HH2 ARG 22 -25.836 -3.839 -4.381 174 H ARG 23 H ARG 23 -26.062 5.425 -2.428 175 HA ARG 23 HA ARG 23 -28.200 5.511 -0.640 176 HB2 ARG 23 2HB ARG 23 -26.195 6.156 0.313 177 HB3 ARG 23 3HB ARG 23 -25.752 7.171 -1.053 178 HG2 ARG 23 2HG ARG 23 -26.931 8.966 -0.284 179 HG3 ARG 23 3HG ARG 23 -28.098 7.967 0.584 180 HD2 ARG 23 2HD ARG 23 -25.767 7.388 1.886 181 HD3 ARG 23 3HD ARG 23 -25.542 9.087 1.470 182 HE ARG 23 HE ARG 23 -27.406 7.996 3.375 183 HH11 ARG 23 1HH1 ARG 23 -26.647 10.696 1.312 184 HH12 ARG 23 2HH1 ARG 23 -27.573 11.831 2.237 185 HH21 ARG 23 1HH2 ARG 23 -28.629 9.480 4.601 186 HH22 ARG 23 2HH2 ARG 23 -28.699 11.138 4.108 187 H PHE 24 H PHE 24 -27.547 7.388 -3.493 188 HA PHE 24 HA PHE 24 -29.505 9.419 -2.878 189 HB2 PHE 24 2HB PHE 24 -27.410 9.794 -4.261 190 HB3 PHE 24 3HB PHE 24 -28.203 8.897 -5.551 191 HD1 PHE 24 HD1 PHE 24 -28.652 11.846 -3.335 192 HD2 PHE 24 HD2 PHE 24 -29.579 9.996 -7.054 193 HE1 PHE 24 HE1 PHE 24 -29.760 13.912 -4.083 194 HE2 PHE 24 HE2 PHE 24 -30.688 12.059 -7.808 195 HZ PHE 24 HZ PHE 24 -30.779 14.021 -6.322 196 H THR 25 H THR 25 -29.274 6.570 -4.947 197 HA THR 25 HA THR 25 -31.950 6.971 -5.995 198 HB THR 25 HB THR 25 -29.997 5.988 -7.326 199 HG1 THR 25 HG1 THR 25 -31.599 4.252 -8.134 200 HG21 THR 25 3HG2 THR 25 -29.146 3.964 -6.841 201 HG22 THR 25 1HG2 THR 25 -30.726 3.290 -6.447 202 HG23 THR 25 2HG2 THR 25 -29.840 4.222 -5.241
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