NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
623967 | 5uzl | 30256 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASN 1 H ASN 1 1.808 0.001 0.855 2 HA ASN 1 HA ASN 1 1.688 0.769 -1.881 3 HB2 ASN 1 HB2 ASN 1 3.625 1.089 -0.215 4 HB3 ASN 1 HB3 ASN 1 4.049 -0.580 -0.585 5 HD21 ASN 1 HD21 ASN 1 4.851 2.448 -1.276 6 HD22 ASN 1 HD22 ASN 1 5.399 2.276 -2.905 7 H VAL 2 H VAL 2 1.690 -2.278 -0.207 8 HA VAL 2 HA VAL 2 2.247 -3.806 -2.612 9 HB VAL 2 HB VAL 2 1.409 -4.822 0.106 10 HG11 VAL 2 HG11 VAL 2 2.853 -6.803 -0.948 11 HG12 VAL 2 HG12 VAL 2 1.111 -6.660 -1.192 12 HG13 VAL 2 HG13 VAL 2 2.227 -6.098 -2.437 13 HG21 VAL 2 HG21 VAL 2 3.405 -4.080 0.789 14 HG22 VAL 2 HG22 VAL 2 4.082 -5.384 -0.186 15 HG23 VAL 2 HG23 VAL 2 3.948 -3.760 -0.859 16 H ASP 3 H ASP 3 0.376 -2.907 -3.769 17 HA ASP 3 HA ASP 3 -2.189 -4.076 -2.940 18 HB2 ASP 3 HB2 ASP 3 -1.605 -1.898 -4.958 19 HB3 ASP 3 HB3 ASP 3 -3.209 -2.498 -4.546 20 H VAL 4 H VAL 4 -1.488 -6.194 -3.661 21 HA VAL 4 HA VAL 4 -1.537 -6.485 -6.594 22 HB VAL 4 HB VAL 4 -0.448 -8.714 -6.191 23 HG11 VAL 4 HG11 VAL 4 1.808 -7.721 -5.708 24 HG12 VAL 4 HG12 VAL 4 0.902 -6.926 -6.997 25 HG13 VAL 4 HG13 VAL 4 0.990 -6.189 -5.397 26 HG21 VAL 4 HG21 VAL 4 0.099 -7.616 -3.438 27 HG22 VAL 4 HG22 VAL 4 -1.119 -8.843 -3.786 28 HG23 VAL 4 HG23 VAL 4 0.585 -9.183 -4.084 29 H ARG 5 H ARG 5 -3.882 -6.249 -4.932 30 HA ARG 5 HA ARG 5 -4.984 -8.972 -5.064 31 HB2 ARG 5 HB2 ARG 5 -5.895 -6.534 -3.532 32 HB3 ARG 5 HB3 ARG 5 -6.819 -8.027 -3.629 33 HG2 ARG 5 HG2 ARG 5 -5.739 -8.396 -1.671 34 HG3 ARG 5 HG3 ARG 5 -4.537 -9.062 -2.778 35 HD2 ARG 5 HD2 ARG 5 -3.434 -7.637 -1.183 36 HD3 ARG 5 HD3 ARG 5 -3.383 -6.872 -2.770 37 HE ARG 5 HE ARG 5 -4.628 -5.150 -1.932 38 HH11 ARG 5 HH11 ARG 5 -4.902 -7.884 0.205 39 HH12 ARG 5 HH12 ARG 5 -5.773 -7.011 1.422 40 HH21 ARG 5 HH21 ARG 5 -5.775 -3.990 -0.338 41 HH22 ARG 5 HH22 ARG 5 -6.270 -4.797 1.112 42 H TYR 6 H TYR 6 -5.990 -9.360 -6.922 43 HA TYR 6 HA TYR 6 -8.050 -7.525 -7.831 44 HB2 TYR 6 HB2 TYR 6 -7.207 -7.511 -10.156 45 HB3 TYR 6 HB3 TYR 6 -6.102 -6.713 -9.042 46 HD1 TYR 6 HD1 TYR 6 -3.945 -7.708 -8.499 47 HD2 TYR 6 HD2 TYR 6 -6.603 -9.597 -11.232 48 HE1 TYR 6 HE1 TYR 6 -2.111 -9.151 -9.276 49 HE2 TYR 6 HE2 TYR 6 -4.777 -11.046 -12.015 50 HH TYR 6 HH TYR 6 -1.567 -10.451 -11.401 51 H THR 7 H THR 7 -7.933 -10.212 -6.687 52 HA THR 7 HA THR 7 -9.210 -11.687 -8.897 53 HB THR 7 HB THR 7 -8.441 -13.646 -7.108 54 HG1 THR 7 HG1 THR 7 -6.559 -13.119 -6.262 55 HG21 THR 7 HG21 THR 7 -6.610 -14.066 -8.859 56 HG22 THR 7 HG22 THR 7 -7.254 -12.645 -9.681 57 HG23 THR 7 HG23 THR 7 -8.284 -14.052 -9.413 58 H TYR 8 H TYR 8 -10.070 -9.940 -6.469 59 HA TYR 8 HA TYR 8 -12.523 -11.240 -5.999 60 HB2 TYR 8 HB2 TYR 8 -12.306 -11.866 -3.670 61 HB3 TYR 8 HB3 TYR 8 -11.083 -12.713 -4.610 62 HD1 TYR 8 HD1 TYR 8 -11.670 -10.792 -1.722 63 HD2 TYR 8 HD2 TYR 8 -8.740 -11.515 -4.721 64 HE1 TYR 8 HE1 TYR 8 -9.926 -9.928 -0.218 65 HE2 TYR 8 HE2 TYR 8 -6.988 -10.653 -3.226 66 HH TYR 8 HH TYR 8 -7.392 -10.241 0.035 67 H ARG 9 H ARG 9 -13.328 -10.207 -3.618 68 HA ARG 9 HA ARG 9 -12.991 -7.313 -4.041 69 HB2 ARG 9 HB2 ARG 9 -15.275 -8.231 -4.414 70 HB3 ARG 9 HB3 ARG 9 -15.305 -8.755 -2.736 71 HG2 ARG 9 HG2 ARG 9 -14.865 -6.287 -2.173 72 HG3 ARG 9 HG3 ARG 9 -15.360 -5.974 -3.838 73 HD2 ARG 9 HD2 ARG 9 -17.528 -6.646 -3.463 74 HD3 ARG 9 HD3 ARG 9 -17.082 -7.690 -2.114 75 HE ARG 9 HE ARG 9 -16.536 -5.223 -1.170 76 HH11 ARG 9 HH11 ARG 9 -19.341 -6.617 -2.689 77 HH12 ARG 9 HH12 ARG 9 -20.463 -5.596 -1.853 78 HH21 ARG 9 HH21 ARG 9 -18.004 -3.872 -0.063 79 HH22 ARG 9 HH22 ARG 9 -19.701 -4.034 -0.360 80 HA PRO 10 HA PRO 10 -10.988 -8.097 0.026 81 HB2 PRO 10 HB2 PRO 10 -9.108 -6.164 -0.292 82 HB3 PRO 10 HB3 PRO 10 -8.920 -7.802 -0.930 83 HG2 PRO 10 HG2 PRO 10 -9.783 -5.306 -2.341 84 HG3 PRO 10 HG3 PRO 10 -8.668 -6.572 -2.888 85 HD2 PRO 10 HD2 PRO 10 -11.243 -6.442 -3.714 86 HD3 PRO 10 HD3 PRO 10 -10.379 -7.981 -3.521 87 H SER 11 H SER 11 -11.940 -7.215 1.742 88 HA SER 11 HA SER 11 -13.517 -4.915 1.700 89 HB2 SER 11 HB2 SER 11 -12.383 -6.655 3.835 90 HB3 SER 11 HB3 SER 11 -13.014 -5.081 4.318 91 HG SER 11 HG SER 11 -14.437 -7.155 4.062 92 H VAL 12 H VAL 12 -10.561 -5.209 3.661 93 HA VAL 12 HA VAL 12 -9.664 -2.598 2.703 94 HB VAL 12 HB VAL 12 -9.162 -1.929 5.098 95 HG11 VAL 12 HG11 VAL 12 -11.073 -1.109 3.603 96 HG12 VAL 12 HG12 VAL 12 -12.112 -2.143 4.587 97 HG13 VAL 12 HG13 VAL 12 -11.210 -0.826 5.338 98 HG21 VAL 12 HG21 VAL 12 -11.139 -4.138 5.654 99 HG22 VAL 12 HG22 VAL 12 -9.452 -4.081 6.166 100 HG23 VAL 12 HG23 VAL 12 -10.614 -2.931 6.827 101 HA PRO 13 HA PRO 13 -5.663 -4.394 2.922 102 HB2 PRO 13 HB2 PRO 13 -4.134 -2.205 3.413 103 HB3 PRO 13 HB3 PRO 13 -4.893 -2.514 1.848 104 HG2 PRO 13 HG2 PRO 13 -5.792 -0.718 4.067 105 HG3 PRO 13 HG3 PRO 13 -5.777 -0.416 2.320 106 HD2 PRO 13 HD2 PRO 13 -8.023 -1.125 3.657 107 HD3 PRO 13 HD3 PRO 13 -7.725 -1.598 1.972 108 H ALA 14 H ALA 14 -4.761 -5.571 4.481 109 HA ALA 14 HA ALA 14 -5.248 -5.232 7.210 110 HB1 ALA 14 HB1 ALA 14 -4.629 -7.379 6.291 111 HB2 ALA 14 HB2 ALA 14 -3.036 -6.763 5.848 112 HB3 ALA 14 HB3 ALA 14 -3.481 -6.918 7.548 113 H HIS 15 H HIS 15 -2.714 -3.974 5.163 114 HA HIS 15 HA HIS 15 -1.975 -1.992 7.039 115 HB2 HIS 15 HB2 HIS 15 0.424 -2.790 7.318 116 HB3 HIS 15 HB3 HIS 15 -0.795 -3.659 8.246 117 HD1 HIS 15 HD1 HIS 15 -1.386 -6.084 7.432 118 HD2 HIS 15 HD2 HIS 15 1.808 -4.303 5.461 119 HE1 HIS 15 HE1 HIS 15 -0.220 -7.952 6.218 120 H ARG 16 H ARG 16 -0.944 -0.339 6.038 121 HA ARG 16 HA ARG 16 0.253 -0.845 3.403 122 HB2 ARG 16 HB2 ARG 16 -0.810 1.221 2.547 123 HB3 ARG 16 HB3 ARG 16 -1.981 -0.022 2.966 124 HG2 ARG 16 HG2 ARG 16 -2.563 1.114 4.988 125 HG3 ARG 16 HG3 ARG 16 -1.256 2.278 4.764 126 HD2 ARG 16 HD2 ARG 16 -2.345 3.357 3.023 127 HD3 ARG 16 HD3 ARG 16 -3.370 1.966 2.672 128 HE ARG 16 HE ARG 16 -3.924 2.974 5.256 129 HH11 ARG 16 HH11 ARG 16 -4.397 3.681 1.881 130 HH12 ARG 16 HH12 ARG 16 -5.858 4.577 2.139 131 HH21 ARG 16 HH21 ARG 16 -5.846 4.151 5.609 132 HH22 ARG 16 HH22 ARG 16 -6.680 4.845 4.260 133 H ARG 17 H ARG 17 1.635 -0.539 5.820 134 HA ARG 17 HA ARG 17 3.243 1.784 5.173 135 HB2 ARG 17 HB2 ARG 17 1.532 1.615 7.584 136 HB3 ARG 17 HB3 ARG 17 3.179 2.175 7.843 137 HG2 ARG 17 HG2 ARG 17 1.294 3.376 5.828 138 HG3 ARG 17 HG3 ARG 17 1.511 3.983 7.471 139 HD2 ARG 17 HD2 ARG 17 3.910 4.312 7.000 140 HD3 ARG 17 HD3 ARG 17 3.638 3.773 5.343 141 HE ARG 17 HE ARG 17 1.965 5.973 6.115 142 HH11 ARG 17 HH11 ARG 17 5.089 5.062 4.879 143 HH12 ARG 17 HH12 ARG 17 5.368 6.582 4.097 144 HH21 ARG 17 HH21 ARG 17 2.321 7.980 5.091 145 HH22 ARG 17 HH22 ARG 17 3.793 8.242 4.219 146 H VAL 18 H VAL 18 5.140 1.884 6.862 147 HA VAL 18 HA VAL 18 6.330 -0.759 6.847 148 HB VAL 18 HB VAL 18 7.704 1.093 6.102 149 HG11 VAL 18 HG11 VAL 18 8.446 2.821 7.745 150 HG12 VAL 18 HG12 VAL 18 6.740 2.925 7.303 151 HG13 VAL 18 HG13 VAL 18 7.210 2.223 8.852 152 HG21 VAL 18 HG21 VAL 18 8.494 -0.863 7.799 153 HG22 VAL 18 HG22 VAL 18 9.592 0.274 7.016 154 HG23 VAL 18 HG23 VAL 18 9.044 0.571 8.666 155 H ARG 19 H ARG 19 4.925 1.449 9.120 156 HA ARG 19 HA ARG 19 5.448 -0.486 11.266 157 HB2 ARG 19 HB2 ARG 19 5.667 1.480 12.839 158 HB3 ARG 19 HB3 ARG 19 7.010 1.244 11.729 159 HG2 ARG 19 HG2 ARG 19 5.979 2.981 10.251 160 HG3 ARG 19 HG3 ARG 19 4.824 3.298 11.547 161 HD2 ARG 19 HD2 ARG 19 6.423 4.874 12.011 162 HD3 ARG 19 HD3 ARG 19 6.994 3.531 13.000 163 HE ARG 19 HE ARG 19 8.138 3.489 10.390 164 HH11 ARG 19 HH11 ARG 19 8.356 5.006 13.517 165 HH12 ARG 19 HH12 ARG 19 10.036 5.394 13.356 166 HH21 ARG 19 HH21 ARG 19 10.351 3.995 10.167 167 HH22 ARG 19 HH22 ARG 19 11.170 4.820 11.450 168 H GLU 20 H GLU 20 3.232 -1.073 10.479 169 HA GLU 20 HA GLU 20 1.226 0.560 11.886 170 HB2 GLU 20 HB2 GLU 20 1.179 0.604 9.299 171 HB3 GLU 20 HB3 GLU 20 0.561 -1.037 9.429 172 HG2 GLU 20 HG2 GLU 20 -1.349 0.266 9.253 173 HG3 GLU 20 HG3 GLU 20 -1.212 -0.046 10.983 174 H SER 21 H SER 21 -0.584 -0.601 12.744 175 HA SER 21 HA SER 21 -0.623 -3.468 12.730 176 HB2 SER 21 HB2 SER 21 0.452 -1.979 15.111 177 HB3 SER 21 HB3 SER 21 -0.381 -3.520 15.317 178 HG SER 21 HG SER 21 2.129 -3.012 14.391 179 HA PRO 22 HA PRO 22 -4.639 -1.288 13.561 180 HB2 PRO 22 HB2 PRO 22 -6.017 -2.597 11.623 181 HB3 PRO 22 HB3 PRO 22 -5.097 -1.120 11.316 182 HG2 PRO 22 HG2 PRO 22 -4.329 -3.969 10.812 183 HG3 PRO 22 HG3 PRO 22 -4.096 -2.548 9.777 184 HD2 PRO 22 HD2 PRO 22 -2.110 -3.585 11.297 185 HD3 PRO 22 HD3 PRO 22 -2.233 -1.850 10.941 186 H LEU 23 H LEU 23 -6.793 -2.341 14.007 187 HA LEU 23 HA LEU 23 -6.333 -4.812 15.491 188 HB2 LEU 23 HB2 LEU 23 -8.498 -2.735 15.528 189 HB3 LEU 23 HB3 LEU 23 -8.693 -4.288 16.338 190 HG LEU 23 HG LEU 23 -8.043 -2.662 17.964 191 HD11 LEU 23 HD11 LEU 23 -6.777 -5.027 17.615 192 HD12 LEU 23 HD12 LEU 23 -6.536 -3.964 19.001 193 HD13 LEU 23 HD13 LEU 23 -5.406 -3.918 17.648 194 HD21 LEU 23 HD21 LEU 23 -6.693 -1.441 15.899 195 HD22 LEU 23 HD22 LEU 23 -5.394 -2.045 16.929 196 HD23 LEU 23 HD23 LEU 23 -6.628 -0.976 17.599 197 H SER 24 H SER 24 -8.570 -3.484 13.075 198 HA SER 24 HA SER 24 -10.234 -5.654 12.718 199 HB2 SER 24 HB2 SER 24 -9.209 -3.663 10.686 200 HB3 SER 24 HB3 SER 24 -10.503 -4.815 10.355 201 HG SER 24 HG SER 24 -10.542 -2.493 11.826 202 H SER 25 H SER 25 -6.948 -5.203 11.642 203 HA SER 25 HA SER 25 -6.799 -7.171 9.665 204 HB2 SER 25 HB2 SER 25 -4.838 -5.817 11.450 205 HB3 SER 25 HB3 SER 25 -4.311 -7.290 10.637 206 HG SER 25 HG SER 25 -3.859 -5.704 9.216 207 H ASP 26 H ASP 26 -6.634 -7.402 13.163 208 HA ASP 26 HA ASP 26 -5.999 -10.238 13.065 209 HB2 ASP 26 HB2 ASP 26 -6.440 -8.306 15.344 210 HB3 ASP 26 HB3 ASP 26 -6.179 -10.031 15.588 211 H ALA 27 H ALA 27 -8.749 -8.162 13.440 212 HA ALA 27 HA ALA 27 -10.549 -9.819 14.752 213 HB1 ALA 27 HB1 ALA 27 -10.800 -7.577 12.823 214 HB2 ALA 27 HB2 ALA 27 -12.230 -8.562 13.132 215 HB3 ALA 27 HB3 ALA 27 -11.424 -7.736 14.465 216 H ILE 28 H ILE 28 -9.298 -10.011 11.524 217 HA ILE 28 HA ILE 28 -11.238 -11.453 10.192 218 HB ILE 28 HB ILE 28 -8.249 -11.849 10.000 219 HG12 ILE 28 HG12 ILE 28 -10.028 -10.140 8.258 220 HG13 ILE 28 HG13 ILE 28 -9.153 -9.504 9.647 221 HG21 ILE 28 HG21 ILE 28 -10.440 -12.545 8.048 222 HG22 ILE 28 HG22 ILE 28 -8.709 -12.706 7.756 223 HG23 ILE 28 HG23 ILE 28 -9.489 -13.690 8.994 224 HD11 ILE 28 HD11 ILE 28 -8.024 -9.118 7.484 225 HD12 ILE 28 HD12 ILE 28 -7.051 -10.037 8.633 226 HD13 ILE 28 HD13 ILE 28 -7.856 -10.864 7.299 227 H PHE 29 H PHE 29 -8.926 -12.550 12.594 228 HA PHE 29 HA PHE 29 -9.733 -15.326 12.254 229 HB2 PHE 29 HB2 PHE 29 -7.330 -14.428 12.774 230 HB3 PHE 29 HB3 PHE 29 -7.911 -14.372 14.435 231 HD1 PHE 29 HD1 PHE 29 -6.700 -16.456 11.767 232 HD2 PHE 29 HD2 PHE 29 -8.706 -16.478 15.521 233 HE1 PHE 29 HE1 PHE 29 -6.199 -18.852 12.016 234 HE2 PHE 29 HE2 PHE 29 -8.207 -18.874 15.777 235 HZ PHE 29 HZ PHE 29 -6.952 -20.064 14.024 236 H LYS 30 H LYS 30 -10.344 -12.616 14.320 237 HA LYS 30 HA LYS 30 -11.252 -13.866 16.634 238 HB2 LYS 30 HB2 LYS 30 -11.846 -11.258 15.303 239 HB3 LYS 30 HB3 LYS 30 -12.843 -11.758 16.662 240 HG2 LYS 30 HG2 LYS 30 -9.866 -11.783 16.900 241 HG3 LYS 30 HG3 LYS 30 -10.764 -10.274 17.074 242 HD2 LYS 30 HD2 LYS 30 -12.099 -11.270 18.862 243 HD3 LYS 30 HD3 LYS 30 -11.222 -12.790 18.678 244 HE2 LYS 30 HE2 LYS 30 -9.788 -10.220 19.259 245 HE3 LYS 30 HE3 LYS 30 -10.506 -11.179 20.553 246 HZ1 LYS 30 HZ1 LYS 30 -8.483 -12.160 18.613 247 HZ2 LYS 30 HZ2 LYS 30 -9.151 -13.052 19.885 248 HZ3 LYS 30 HZ3 LYS 30 -8.168 -11.716 20.214 249 H GLN 31 H GLN 31 -12.746 -13.552 13.512 250 HA GLN 31 HA GLN 31 -15.419 -14.042 14.243 251 HB2 GLN 31 HB2 GLN 31 -15.828 -14.465 11.937 252 HB3 GLN 31 HB3 GLN 31 -14.602 -13.207 12.011 253 HG2 GLN 31 HG2 GLN 31 -12.904 -15.093 11.749 254 HG3 GLN 31 HG3 GLN 31 -14.278 -16.093 11.279 255 HE21 GLN 31 HE21 GLN 31 -12.371 -15.856 9.471 256 HE22 GLN 31 HE22 GLN 31 -12.830 -14.794 8.188 257 H SER 32 H SER 32 -12.686 -16.155 13.761 258 HA SER 32 HA SER 32 -14.009 -18.593 13.425 259 HB2 SER 32 HB2 SER 32 -11.358 -18.023 14.773 260 HB3 SER 32 HB3 SER 32 -11.915 -19.623 14.283 261 HG SER 32 HG SER 32 -11.119 -17.448 12.699 262 H HIS 33 H HIS 33 -12.733 -17.153 16.428 263 HA HIS 33 HA HIS 33 -13.801 -19.122 18.142 264 HB2 HIS 33 HB2 HIS 33 -11.975 -17.664 18.844 265 HB3 HIS 33 HB3 HIS 33 -13.027 -16.256 18.727 266 HD1 HIS 33 HD1 HIS 33 -12.469 -19.340 20.818 267 HD2 HIS 33 HD2 HIS 33 -14.612 -15.782 20.934 268 HE1 HIS 33 HE1 HIS 33 -13.399 -19.190 23.150 Start of MODEL 2 1 H1 ASN 1 H ASN 1 1.721 -4.663 -2.032 2 HA ASN 1 HA ASN 1 2.623 -2.236 -0.694 3 HB2 ASN 1 HB2 ASN 1 3.047 -3.236 -3.519 4 HB3 ASN 1 HB3 ASN 1 3.734 -1.750 -2.868 5 HD21 ASN 1 HD21 ASN 1 4.340 -4.910 -3.495 6 HD22 ASN 1 HD22 ASN 1 5.644 -5.181 -2.393 7 H VAL 2 H VAL 2 0.749 -1.079 -0.322 8 HA VAL 2 HA VAL 2 -0.898 0.426 -0.776 9 HB VAL 2 HB VAL 2 0.050 0.442 -3.637 10 HG11 VAL 2 HG11 VAL 2 -0.656 2.993 -2.587 11 HG12 VAL 2 HG12 VAL 2 -1.425 2.081 -3.887 12 HG13 VAL 2 HG13 VAL 2 -1.950 1.854 -2.218 13 HG21 VAL 2 HG21 VAL 2 2.045 0.776 -2.452 14 HG22 VAL 2 HG22 VAL 2 1.477 2.403 -2.827 15 HG23 VAL 2 HG23 VAL 2 1.249 1.741 -1.209 16 H ASP 3 H ASP 3 -1.852 -2.021 -0.626 17 HA ASP 3 HA ASP 3 -3.498 -3.465 -1.263 18 HB2 ASP 3 HB2 ASP 3 -4.488 -0.890 -2.494 19 HB3 ASP 3 HB3 ASP 3 -5.450 -2.365 -2.432 20 H VAL 4 H VAL 4 -1.727 -4.436 -2.633 21 HA VAL 4 HA VAL 4 -2.654 -4.539 -5.418 22 HB VAL 4 HB VAL 4 -0.319 -4.721 -6.204 23 HG11 VAL 4 HG11 VAL 4 0.295 -2.286 -5.731 24 HG12 VAL 4 HG12 VAL 4 -1.263 -2.595 -6.500 25 HG13 VAL 4 HG13 VAL 4 -1.186 -2.226 -4.776 26 HG21 VAL 4 HG21 VAL 4 0.932 -5.467 -4.392 27 HG22 VAL 4 HG22 VAL 4 1.419 -3.779 -4.543 28 HG23 VAL 4 HG23 VAL 4 0.260 -4.254 -3.302 29 H ARG 5 H ARG 5 -2.963 -6.264 -3.002 30 HA ARG 5 HA ARG 5 -2.283 -8.765 -4.304 31 HB2 ARG 5 HB2 ARG 5 -1.303 -8.134 -1.513 32 HB3 ARG 5 HB3 ARG 5 -1.198 -9.703 -2.300 33 HG2 ARG 5 HG2 ARG 5 0.166 -8.541 -4.100 34 HG3 ARG 5 HG3 ARG 5 0.265 -7.176 -2.986 35 HD2 ARG 5 HD2 ARG 5 0.997 -9.117 -1.315 36 HD3 ARG 5 HD3 ARG 5 1.512 -9.862 -2.828 37 HE ARG 5 HE ARG 5 2.447 -7.215 -2.740 38 HH11 ARG 5 HH11 ARG 5 2.968 -10.299 -1.210 39 HH12 ARG 5 HH12 ARG 5 4.630 -9.981 -0.839 40 HH21 ARG 5 HH21 ARG 5 4.635 -6.784 -2.257 41 HH22 ARG 5 HH22 ARG 5 5.577 -7.981 -1.434 42 H TYR 6 H TYR 6 -4.485 -9.129 -4.486 43 HA TYR 6 HA TYR 6 -5.764 -10.096 -2.066 44 HB2 TYR 6 HB2 TYR 6 -7.835 -8.816 -2.464 45 HB3 TYR 6 HB3 TYR 6 -6.472 -7.763 -2.104 46 HD1 TYR 6 HD1 TYR 6 -5.557 -6.287 -3.796 47 HD2 TYR 6 HD2 TYR 6 -8.819 -8.867 -4.692 48 HE1 TYR 6 HE1 TYR 6 -5.986 -5.018 -5.858 49 HE2 TYR 6 HE2 TYR 6 -9.257 -7.606 -6.757 50 HH TYR 6 HH TYR 6 -8.811 -5.631 -7.838 51 H THR 7 H THR 7 -7.764 -11.297 -2.536 52 HA THR 7 HA THR 7 -7.988 -12.199 -5.320 53 HB THR 7 HB THR 7 -8.292 -14.566 -4.398 54 HG1 THR 7 HG1 THR 7 -6.634 -13.750 -2.277 55 HG21 THR 7 HG21 THR 7 -5.862 -14.997 -4.392 56 HG22 THR 7 HG22 THR 7 -5.570 -13.261 -4.276 57 HG23 THR 7 HG23 THR 7 -6.346 -13.931 -5.711 58 H TYR 8 H TYR 8 -9.610 -10.514 -3.455 59 HA TYR 8 HA TYR 8 -12.161 -11.443 -4.203 60 HB2 TYR 8 HB2 TYR 8 -13.097 -12.071 -2.060 61 HB3 TYR 8 HB3 TYR 8 -11.707 -13.095 -2.403 62 HD1 TYR 8 HD1 TYR 8 -13.267 -11.083 0.025 63 HD2 TYR 8 HD2 TYR 8 -9.428 -12.247 -1.391 64 HE1 TYR 8 HE1 TYR 8 -12.286 -10.463 2.194 65 HE2 TYR 8 HE2 TYR 8 -8.436 -11.631 0.773 66 HH TYR 8 HH TYR 8 -10.417 -10.244 3.374 67 H ARG 9 H ARG 9 -13.804 -10.283 -2.376 68 HA ARG 9 HA ARG 9 -12.933 -7.472 -2.441 69 HB2 ARG 9 HB2 ARG 9 -15.448 -7.021 -2.307 70 HB3 ARG 9 HB3 ARG 9 -14.825 -7.658 -3.823 71 HG2 ARG 9 HG2 ARG 9 -15.554 -9.910 -3.151 72 HG3 ARG 9 HG3 ARG 9 -16.234 -9.226 -1.673 73 HD2 ARG 9 HD2 ARG 9 -17.089 -8.746 -4.516 74 HD3 ARG 9 HD3 ARG 9 -18.031 -9.439 -3.197 75 HE ARG 9 HE ARG 9 -17.595 -6.645 -3.742 76 HH11 ARG 9 HH11 ARG 9 -18.447 -9.011 -1.334 77 HH12 ARG 9 HH12 ARG 9 -19.294 -7.878 -0.333 78 HH21 ARG 9 HH21 ARG 9 -18.707 -5.144 -2.432 79 HH22 ARG 9 HH22 ARG 9 -19.441 -5.679 -0.959 80 HA PRO 10 HA PRO 10 -13.093 -8.496 2.041 81 HB2 PRO 10 HB2 PRO 10 -11.033 -6.856 2.703 82 HB3 PRO 10 HB3 PRO 10 -10.797 -8.510 2.125 83 HG2 PRO 10 HG2 PRO 10 -10.596 -5.930 0.620 84 HG3 PRO 10 HG3 PRO 10 -9.533 -7.348 0.557 85 HD2 PRO 10 HD2 PRO 10 -11.420 -6.857 -1.322 86 HD3 PRO 10 HD3 PRO 10 -10.947 -8.502 -0.851 87 H SER 11 H SER 11 -13.447 -7.065 3.893 88 HA SER 11 HA SER 11 -15.200 -4.904 3.209 89 HB2 SER 11 HB2 SER 11 -15.701 -6.358 5.113 90 HB3 SER 11 HB3 SER 11 -14.210 -5.854 5.909 91 HG SER 11 HG SER 11 -16.501 -4.289 5.340 92 H VAL 12 H VAL 12 -12.005 -5.185 4.698 93 HA VAL 12 HA VAL 12 -11.407 -2.452 3.929 94 HB VAL 12 HB VAL 12 -10.506 -1.947 6.246 95 HG11 VAL 12 HG11 VAL 12 -12.651 -1.065 5.192 96 HG12 VAL 12 HG12 VAL 12 -13.496 -2.238 6.205 97 HG13 VAL 12 HG13 VAL 12 -12.523 -0.968 6.948 98 HG21 VAL 12 HG21 VAL 12 -12.502 -3.801 7.393 99 HG22 VAL 12 HG22 VAL 12 -11.003 -4.521 6.806 100 HG23 VAL 12 HG23 VAL 12 -10.952 -3.260 8.038 101 HA PRO 13 HA PRO 13 -7.384 -4.094 3.298 102 HB2 PRO 13 HB2 PRO 13 -5.851 -1.889 3.692 103 HB3 PRO 13 HB3 PRO 13 -6.868 -2.109 2.263 104 HG2 PRO 13 HG2 PRO 13 -7.407 -0.524 4.745 105 HG3 PRO 13 HG3 PRO 13 -7.710 -0.090 3.053 106 HD2 PRO 13 HD2 PRO 13 -9.663 -0.989 4.699 107 HD3 PRO 13 HD3 PRO 13 -9.657 -1.321 2.955 108 H ALA 14 H ALA 14 -6.223 -5.365 4.588 109 HA ALA 14 HA ALA 14 -6.224 -5.280 7.365 110 HB1 ALA 14 HB1 ALA 14 -5.006 -7.167 7.246 111 HB2 ALA 14 HB2 ALA 14 -5.353 -7.057 5.520 112 HB3 ALA 14 HB3 ALA 14 -3.819 -6.457 6.151 113 H HIS 15 H HIS 15 -3.886 -3.946 5.068 114 HA HIS 15 HA HIS 15 -3.104 -1.842 6.743 115 HB2 HIS 15 HB2 HIS 15 -0.715 -2.648 7.149 116 HB3 HIS 15 HB3 HIS 15 -1.969 -3.353 8.163 117 HD1 HIS 15 HD1 HIS 15 -0.987 -4.415 4.655 118 HD2 HIS 15 HD2 HIS 15 -0.998 -5.865 8.549 119 HE1 HIS 15 HE1 HIS 15 -0.278 -6.821 4.478 120 H ARG 16 H ARG 16 -1.384 -0.539 5.823 121 HA ARG 16 HA ARG 16 -0.672 -1.257 3.065 122 HB2 ARG 16 HB2 ARG 16 -2.665 0.412 3.367 123 HB3 ARG 16 HB3 ARG 16 -1.397 1.570 3.744 124 HG2 ARG 16 HG2 ARG 16 -0.390 1.253 1.586 125 HG3 ARG 16 HG3 ARG 16 -1.524 -0.046 1.209 126 HD2 ARG 16 HD2 ARG 16 -2.277 1.930 0.100 127 HD3 ARG 16 HD3 ARG 16 -3.378 1.607 1.439 128 HE ARG 16 HE ARG 16 -2.781 3.616 2.332 129 HH11 ARG 16 HH11 ARG 16 -0.290 2.605 0.120 130 HH12 ARG 16 HH12 ARG 16 0.616 4.074 0.264 131 HH21 ARG 16 HH21 ARG 16 -1.596 5.555 2.531 132 HH22 ARG 16 HH22 ARG 16 -0.127 5.751 1.637 133 H ARG 17 H ARG 17 0.983 -1.539 5.290 134 HA ARG 17 HA ARG 17 3.172 0.178 4.510 135 HB2 ARG 17 HB2 ARG 17 1.724 0.514 7.068 136 HB3 ARG 17 HB3 ARG 17 3.479 0.488 7.179 137 HG2 ARG 17 HG2 ARG 17 3.606 2.311 5.553 138 HG3 ARG 17 HG3 ARG 17 1.844 2.341 5.457 139 HD2 ARG 17 HD2 ARG 17 1.614 3.187 7.603 140 HD3 ARG 17 HD3 ARG 17 3.210 2.626 8.101 141 HE ARG 17 HE ARG 17 4.081 4.600 7.358 142 HH11 ARG 17 HH11 ARG 17 0.951 4.139 5.904 143 HH12 ARG 17 HH12 ARG 17 0.919 5.707 5.167 144 HH21 ARG 17 HH21 ARG 17 4.050 6.666 6.392 145 HH22 ARG 17 HH22 ARG 17 2.682 7.143 5.444 146 H VAL 18 H VAL 18 5.155 -0.386 5.982 147 HA VAL 18 HA VAL 18 5.396 -3.278 5.900 148 HB VAL 18 HB VAL 18 7.189 -1.890 4.952 149 HG11 VAL 18 HG11 VAL 18 6.814 -0.241 7.062 150 HG12 VAL 18 HG12 VAL 18 8.262 -1.108 7.576 151 HG13 VAL 18 HG13 VAL 18 8.253 -0.234 6.044 152 HG21 VAL 18 HG21 VAL 18 8.832 -3.330 5.565 153 HG22 VAL 18 HG22 VAL 18 8.518 -3.131 7.289 154 HG23 VAL 18 HG23 VAL 18 7.475 -4.169 6.317 155 H ARG 19 H ARG 19 5.082 -0.744 8.245 156 HA ARG 19 HA ARG 19 5.121 -2.756 10.375 157 HB2 ARG 19 HB2 ARG 19 6.257 -0.991 11.837 158 HB3 ARG 19 HB3 ARG 19 7.261 -1.827 10.661 159 HG2 ARG 19 HG2 ARG 19 7.389 0.036 9.265 160 HG3 ARG 19 HG3 ARG 19 6.001 0.814 10.028 161 HD2 ARG 19 HD2 ARG 19 7.292 1.151 12.065 162 HD3 ARG 19 HD3 ARG 19 8.672 0.325 11.341 163 HE ARG 19 HE ARG 19 8.171 2.342 9.606 164 HH11 ARG 19 HH11 ARG 19 8.670 2.205 13.049 165 HH12 ARG 19 HH12 ARG 19 9.372 3.787 13.142 166 HH21 ARG 19 HH21 ARG 19 9.094 4.425 9.715 167 HH22 ARG 19 HH22 ARG 19 9.612 5.049 11.245 168 H GLU 20 H GLU 20 2.802 -2.539 10.130 169 HA GLU 20 HA GLU 20 1.777 -0.316 11.730 170 HB2 GLU 20 HB2 GLU 20 1.520 -0.199 9.034 171 HB3 GLU 20 HB3 GLU 20 0.061 -1.088 9.451 172 HG2 GLU 20 HG2 GLU 20 0.875 1.663 10.325 173 HG3 GLU 20 HG3 GLU 20 -0.545 1.181 9.398 174 H SER 21 H SER 21 0.441 -1.008 13.266 175 HA SER 21 HA SER 21 -0.772 -3.676 12.953 176 HB2 SER 21 HB2 SER 21 -0.694 -3.810 15.452 177 HB3 SER 21 HB3 SER 21 0.899 -3.735 14.699 178 HG SER 21 HG SER 21 0.333 -2.283 16.597 179 HA PRO 22 HA PRO 22 -4.173 -0.516 13.302 180 HB2 PRO 22 HB2 PRO 22 -5.632 -1.504 11.236 181 HB3 PRO 22 HB3 PRO 22 -4.345 -0.312 11.020 182 HG2 PRO 22 HG2 PRO 22 -4.268 -3.278 10.618 183 HG3 PRO 22 HG3 PRO 22 -3.583 -1.993 9.605 184 HD2 PRO 22 HD2 PRO 22 -2.084 -3.441 11.333 185 HD3 PRO 22 HD3 PRO 22 -1.732 -1.742 10.955 186 H LEU 23 H LEU 23 -6.690 -1.248 13.001 187 HA LEU 23 HA LEU 23 -7.056 -3.259 15.043 188 HB2 LEU 23 HB2 LEU 23 -8.871 -1.353 13.611 189 HB3 LEU 23 HB3 LEU 23 -9.526 -2.649 14.609 190 HG LEU 23 HG LEU 23 -9.494 -0.608 15.876 191 HD11 LEU 23 HD11 LEU 23 -8.935 -2.744 17.013 192 HD12 LEU 23 HD12 LEU 23 -8.262 -1.319 17.804 193 HD13 LEU 23 HD13 LEU 23 -7.227 -2.353 16.820 194 HD21 LEU 23 HD21 LEU 23 -7.263 0.035 14.422 195 HD22 LEU 23 HD22 LEU 23 -6.594 -0.300 16.020 196 HD23 LEU 23 HD23 LEU 23 -7.858 0.916 15.830 197 H SER 24 H SER 24 -8.309 -2.764 11.740 198 HA SER 24 HA SER 24 -9.646 -5.157 11.430 199 HB2 SER 24 HB2 SER 24 -9.181 -4.875 8.968 200 HB3 SER 24 HB3 SER 24 -9.856 -3.448 9.755 201 HG SER 24 HG SER 24 -8.180 -2.638 8.662 202 H SER 25 H SER 25 -6.218 -4.520 11.311 203 HA SER 25 HA SER 25 -5.264 -6.748 9.985 204 HB2 SER 25 HB2 SER 25 -4.200 -4.848 11.955 205 HB3 SER 25 HB3 SER 25 -3.413 -6.426 11.990 206 HG SER 25 HG SER 25 -2.340 -5.232 10.481 207 H ASP 26 H ASP 26 -6.597 -6.487 13.195 208 HA ASP 26 HA ASP 26 -5.758 -9.158 13.950 209 HB2 ASP 26 HB2 ASP 26 -7.490 -7.112 15.347 210 HB3 ASP 26 HB3 ASP 26 -7.076 -8.683 16.027 211 H ALA 27 H ALA 27 -8.587 -7.542 12.709 212 HA ALA 27 HA ALA 27 -10.538 -9.458 13.307 213 HB1 ALA 27 HB1 ALA 27 -10.802 -8.086 10.715 214 HB2 ALA 27 HB2 ALA 27 -11.924 -8.179 12.073 215 HB3 ALA 27 HB3 ALA 27 -10.579 -7.039 12.117 216 H ILE 28 H ILE 28 -8.001 -9.446 10.952 217 HA ILE 28 HA ILE 28 -8.944 -11.165 9.008 218 HB ILE 28 HB ILE 28 -6.147 -11.118 10.148 219 HG12 ILE 28 HG12 ILE 28 -6.951 -8.901 9.397 220 HG13 ILE 28 HG13 ILE 28 -5.647 -9.513 8.384 221 HG21 ILE 28 HG21 ILE 28 -7.141 -12.060 7.462 222 HG22 ILE 28 HG22 ILE 28 -5.460 -12.008 7.988 223 HG23 ILE 28 HG23 ILE 28 -6.598 -13.097 8.781 224 HD11 ILE 28 HD11 ILE 28 -7.388 -8.466 7.056 225 HD12 ILE 28 HD12 ILE 28 -7.273 -10.190 6.700 226 HD13 ILE 28 HD13 ILE 28 -8.580 -9.584 7.717 227 H PHE 29 H PHE 29 -7.856 -11.887 12.255 228 HA PHE 29 HA PHE 29 -7.861 -14.745 11.816 229 HB2 PHE 29 HB2 PHE 29 -6.345 -13.445 13.445 230 HB3 PHE 29 HB3 PHE 29 -7.752 -13.389 14.502 231 HD1 PHE 29 HD1 PHE 29 -5.041 -15.397 13.236 232 HD2 PHE 29 HD2 PHE 29 -8.739 -15.515 15.341 233 HE1 PHE 29 HE1 PHE 29 -4.480 -17.635 14.090 234 HE2 PHE 29 HE2 PHE 29 -8.183 -17.753 16.199 235 HZ PHE 29 HZ PHE 29 -6.051 -18.816 15.575 236 H LYS 30 H LYS 30 -10.024 -12.302 13.009 237 HA LYS 30 HA LYS 30 -11.793 -13.785 14.537 238 HB2 LYS 30 HB2 LYS 30 -11.881 -11.326 14.262 239 HB3 LYS 30 HB3 LYS 30 -12.486 -11.546 12.625 240 HG2 LYS 30 HG2 LYS 30 -14.467 -12.687 13.535 241 HG3 LYS 30 HG3 LYS 30 -13.866 -12.385 15.167 242 HD2 LYS 30 HD2 LYS 30 -13.780 -9.898 14.343 243 HD3 LYS 30 HD3 LYS 30 -14.955 -10.467 13.155 244 HE2 LYS 30 HE2 LYS 30 -15.389 -11.175 16.009 245 HE3 LYS 30 HE3 LYS 30 -15.693 -9.511 15.514 246 HZ1 LYS 30 HZ1 LYS 30 -16.894 -11.068 13.597 247 HZ2 LYS 30 HZ2 LYS 30 -17.669 -10.208 14.830 248 HZ3 LYS 30 HZ3 LYS 30 -17.266 -11.835 15.058 249 H GLN 31 H GLN 31 -11.342 -13.741 11.091 250 HA GLN 31 HA GLN 31 -13.746 -14.720 10.157 251 HB2 GLN 31 HB2 GLN 31 -12.560 -15.526 8.244 252 HB3 GLN 31 HB3 GLN 31 -11.769 -14.047 8.771 253 HG2 GLN 31 HG2 GLN 31 -10.075 -15.433 9.939 254 HG3 GLN 31 HG3 GLN 31 -10.830 -16.865 9.240 255 HE21 GLN 31 HE21 GLN 31 -9.794 -17.602 7.545 256 HE22 GLN 31 HE22 GLN 31 -8.944 -16.661 6.373 257 H SER 32 H SER 32 -11.172 -16.408 11.829 258 HA SER 32 HA SER 32 -12.407 -19.000 11.402 259 HB2 SER 32 HB2 SER 32 -9.963 -18.849 11.390 260 HB3 SER 32 HB3 SER 32 -9.981 -18.208 13.033 261 HG SER 32 HG SER 32 -9.595 -20.384 13.185 262 H HIS 33 H HIS 33 -12.079 -16.598 13.932 263 HA HIS 33 HA HIS 33 -13.312 -18.301 15.926 264 HB2 HIS 33 HB2 HIS 33 -11.500 -16.458 16.294 265 HB3 HIS 33 HB3 HIS 33 -12.871 -15.353 16.275 266 HD1 HIS 33 HD1 HIS 33 -12.431 -14.788 18.779 267 HD2 HIS 33 HD2 HIS 33 -13.392 -18.764 18.049 268 HE1 HIS 33 HE1 HIS 33 -12.970 -15.773 21.029 Start of MODEL 3 1 H1 ASN 1 H ASN 1 1.058 -4.413 -3.969 2 HA ASN 1 HA ASN 1 -0.304 -4.236 -1.374 3 HB2 ASN 1 HB2 ASN 1 2.132 -5.203 -1.811 4 HB3 ASN 1 HB3 ASN 1 2.570 -3.501 -1.700 5 HD21 ASN 1 HD21 ASN 1 2.539 -6.177 0.025 6 HD22 ASN 1 HD22 ASN 1 2.217 -5.556 1.605 7 H VAL 2 H VAL 2 -0.935 -2.336 -0.559 8 HA VAL 2 HA VAL 2 -1.470 -0.120 -0.475 9 HB VAL 2 HB VAL 2 1.387 0.258 -1.381 10 HG11 VAL 2 HG11 VAL 2 1.120 2.443 -1.046 11 HG12 VAL 2 HG12 VAL 2 -0.617 2.135 -0.990 12 HG13 VAL 2 HG13 VAL 2 0.321 2.179 0.504 13 HG21 VAL 2 HG21 VAL 2 0.189 -0.445 1.260 14 HG22 VAL 2 HG22 VAL 2 1.659 -1.050 0.495 15 HG23 VAL 2 HG23 VAL 2 1.635 0.564 1.205 16 H ASP 3 H ASP 3 -2.859 -0.588 -2.391 17 HA ASP 3 HA ASP 3 -2.138 1.240 -4.560 18 HB2 ASP 3 HB2 ASP 3 -3.002 -1.630 -4.908 19 HB3 ASP 3 HB3 ASP 3 -3.139 -0.436 -6.196 20 H VAL 4 H VAL 4 -3.860 2.309 -5.489 21 HA VAL 4 HA VAL 4 -6.445 1.933 -4.131 22 HB VAL 4 HB VAL 4 -6.941 4.269 -4.774 23 HG11 VAL 4 HG11 VAL 4 -5.835 5.192 -2.984 24 HG12 VAL 4 HG12 VAL 4 -5.658 3.472 -2.632 25 HG13 VAL 4 HG13 VAL 4 -4.321 4.368 -3.354 26 HG21 VAL 4 HG21 VAL 4 -4.055 4.452 -5.614 27 HG22 VAL 4 HG22 VAL 4 -5.389 4.265 -6.752 28 HG23 VAL 4 HG23 VAL 4 -5.296 5.699 -5.731 29 H ARG 5 H ARG 5 -5.443 0.484 -6.523 30 HA ARG 5 HA ARG 5 -7.799 0.887 -8.168 31 HB2 ARG 5 HB2 ARG 5 -6.325 0.836 -10.261 32 HB3 ARG 5 HB3 ARG 5 -6.410 2.350 -9.370 33 HG2 ARG 5 HG2 ARG 5 -4.268 1.871 -8.320 34 HG3 ARG 5 HG3 ARG 5 -4.187 0.329 -9.174 35 HD2 ARG 5 HD2 ARG 5 -2.865 2.222 -10.190 36 HD3 ARG 5 HD3 ARG 5 -3.981 1.394 -11.274 37 HE ARG 5 HE ARG 5 -5.081 3.736 -10.008 38 HH11 ARG 5 HH11 ARG 5 -3.291 2.502 -12.727 39 HH12 ARG 5 HH12 ARG 5 -3.692 3.832 -13.762 40 HH21 ARG 5 HH21 ARG 5 -5.616 5.493 -11.361 41 HH22 ARG 5 HH22 ARG 5 -5.014 5.533 -12.983 42 H TYR 6 H TYR 6 -8.603 -1.114 -7.999 43 HA TYR 6 HA TYR 6 -6.989 -3.326 -9.011 44 HB2 TYR 6 HB2 TYR 6 -7.722 -4.788 -7.133 45 HB3 TYR 6 HB3 TYR 6 -6.648 -3.489 -6.624 46 HD1 TYR 6 HD1 TYR 6 -7.296 -2.004 -4.932 47 HD2 TYR 6 HD2 TYR 6 -10.231 -4.466 -6.784 48 HE1 TYR 6 HE1 TYR 6 -8.945 -1.293 -3.251 49 HE2 TYR 6 HE2 TYR 6 -11.888 -3.761 -5.109 50 HH TYR 6 HH TYR 6 -11.017 -2.023 -2.281 51 H THR 7 H THR 7 -8.296 -5.242 -9.517 52 HA THR 7 HA THR 7 -11.152 -4.663 -9.891 53 HB THR 7 HB THR 7 -10.971 -5.803 -12.158 54 HG1 THR 7 HG1 THR 7 -9.042 -6.316 -12.874 55 HG21 THR 7 HG21 THR 7 -9.455 -3.206 -12.033 56 HG22 THR 7 HG22 THR 7 -11.186 -3.300 -11.707 57 HG23 THR 7 HG23 THR 7 -10.559 -3.774 -13.286 58 H TYR 8 H TYR 8 -9.518 -6.405 -8.078 59 HA TYR 8 HA TYR 8 -11.220 -8.649 -8.059 60 HB2 TYR 8 HB2 TYR 8 -9.694 -10.422 -8.684 61 HB3 TYR 8 HB3 TYR 8 -9.833 -9.285 -10.020 62 HD1 TYR 8 HD1 TYR 8 -7.587 -11.105 -8.015 63 HD2 TYR 8 HD2 TYR 8 -7.992 -7.402 -10.070 64 HE1 TYR 8 HE1 TYR 8 -5.139 -10.868 -8.058 65 HE2 TYR 8 HE2 TYR 8 -5.546 -7.154 -10.119 66 HH TYR 8 HH TYR 8 -3.586 -8.154 -9.722 67 H ARG 9 H ARG 9 -9.762 -10.524 -6.738 68 HA ARG 9 HA ARG 9 -8.860 -9.054 -4.352 69 HB2 ARG 9 HB2 ARG 9 -9.402 -11.261 -3.178 70 HB3 ARG 9 HB3 ARG 9 -10.760 -10.298 -3.745 71 HG2 ARG 9 HG2 ARG 9 -10.919 -11.733 -5.736 72 HG3 ARG 9 HG3 ARG 9 -9.601 -12.721 -5.103 73 HD2 ARG 9 HD2 ARG 9 -11.433 -13.912 -4.388 74 HD3 ARG 9 HD3 ARG 9 -11.129 -12.881 -2.990 75 HE ARG 9 HE ARG 9 -12.951 -11.671 -4.812 76 HH11 ARG 9 HH11 ARG 9 -12.696 -14.074 -2.305 77 HH12 ARG 9 HH12 ARG 9 -14.362 -13.957 -1.843 78 HH21 ARG 9 HH21 ARG 9 -15.146 -11.509 -4.213 79 HH22 ARG 9 HH22 ARG 9 -15.755 -12.498 -2.930 80 HA PRO 10 HA PRO 10 -5.044 -11.078 -5.937 81 HB2 PRO 10 HB2 PRO 10 -3.396 -9.079 -5.125 82 HB3 PRO 10 HB3 PRO 10 -4.263 -9.044 -6.665 83 HG2 PRO 10 HG2 PRO 10 -4.946 -7.706 -4.076 84 HG3 PRO 10 HG3 PRO 10 -5.026 -7.059 -5.725 85 HD2 PRO 10 HD2 PRO 10 -7.213 -7.956 -4.405 86 HD3 PRO 10 HD3 PRO 10 -7.040 -8.089 -6.167 87 H SER 11 H SER 11 -3.098 -11.736 -4.761 88 HA SER 11 HA SER 11 -3.722 -12.637 -2.134 89 HB2 SER 11 HB2 SER 11 -0.917 -12.694 -3.167 90 HB3 SER 11 HB3 SER 11 -1.811 -13.929 -2.282 91 HG SER 11 HG SER 11 -2.367 -14.757 -4.120 92 H VAL 12 H VAL 12 -4.104 -10.648 -1.020 93 HA VAL 12 HA VAL 12 -1.631 -9.218 -0.289 94 HB VAL 12 HB VAL 12 -3.177 -7.316 0.352 95 HG11 VAL 12 HG11 VAL 12 -1.786 -7.573 -1.794 96 HG12 VAL 12 HG12 VAL 12 -3.329 -7.903 -2.584 97 HG13 VAL 12 HG13 VAL 12 -3.065 -6.360 -1.771 98 HG21 VAL 12 HG21 VAL 12 -5.391 -7.355 -0.070 99 HG22 VAL 12 HG22 VAL 12 -5.199 -8.280 -1.559 100 HG23 VAL 12 HG23 VAL 12 -5.173 -9.103 0.000 101 HA PRO 13 HA PRO 13 -2.209 -10.413 3.896 102 HB2 PRO 13 HB2 PRO 13 -1.216 -8.248 5.200 103 HB3 PRO 13 HB3 PRO 13 -0.193 -9.402 4.336 104 HG2 PRO 13 HG2 PRO 13 -1.193 -6.724 3.449 105 HG3 PRO 13 HG3 PRO 13 0.421 -7.433 3.263 106 HD2 PRO 13 HD2 PRO 13 -1.392 -7.389 1.252 107 HD3 PRO 13 HD3 PRO 13 -0.207 -8.698 1.441 108 H ALA 14 H ALA 14 -3.267 -9.812 5.935 109 HA ALA 14 HA ALA 14 -5.879 -8.922 5.589 110 HB1 ALA 14 HB1 ALA 14 -6.125 -9.074 7.936 111 HB2 ALA 14 HB2 ALA 14 -4.960 -10.319 7.482 112 HB3 ALA 14 HB3 ALA 14 -4.402 -8.811 8.207 113 H HIS 15 H HIS 15 -2.970 -7.133 6.155 114 HA HIS 15 HA HIS 15 -4.550 -4.668 6.488 115 HB2 HIS 15 HB2 HIS 15 -1.653 -5.024 7.257 116 HB3 HIS 15 HB3 HIS 15 -2.729 -3.701 7.695 117 HD1 HIS 15 HD1 HIS 15 -5.126 -5.591 8.584 118 HD2 HIS 15 HD2 HIS 15 -1.178 -5.861 9.848 119 HE1 HIS 15 HE1 HIS 15 -5.209 -6.782 10.798 120 H ARG 16 H ARG 16 -2.692 -2.779 5.898 121 HA ARG 16 HA ARG 16 -1.970 -3.368 3.102 122 HB2 ARG 16 HB2 ARG 16 -3.034 -0.797 4.282 123 HB3 ARG 16 HB3 ARG 16 -2.402 -0.948 2.648 124 HG2 ARG 16 HG2 ARG 16 -4.153 -2.592 2.138 125 HG3 ARG 16 HG3 ARG 16 -4.799 -2.385 3.768 126 HD2 ARG 16 HD2 ARG 16 -5.616 -0.288 3.325 127 HD3 ARG 16 HD3 ARG 16 -4.418 0.029 2.071 128 HE ARG 16 HE ARG 16 -6.150 -2.039 1.246 129 HH11 ARG 16 HH11 ARG 16 -6.078 1.402 1.767 130 HH12 ARG 16 HH12 ARG 16 -7.301 1.738 0.587 131 HH21 ARG 16 HH21 ARG 16 -7.760 -1.610 -0.311 132 HH22 ARG 16 HH22 ARG 16 -8.258 0.024 -0.594 133 H ARG 17 H ARG 17 -0.204 -3.801 5.231 134 HA ARG 17 HA ARG 17 2.084 -2.455 4.361 135 HB2 ARG 17 HB2 ARG 17 0.531 -0.903 6.148 136 HB3 ARG 17 HB3 ARG 17 1.940 -1.456 7.045 137 HG2 ARG 17 HG2 ARG 17 3.093 0.194 6.129 138 HG3 ARG 17 HG3 ARG 17 2.914 -0.607 4.566 139 HD2 ARG 17 HD2 ARG 17 1.286 0.808 3.875 140 HD3 ARG 17 HD3 ARG 17 0.610 0.990 5.493 141 HE ARG 17 HE ARG 17 3.055 2.271 5.529 142 HH11 ARG 17 HH11 ARG 17 0.051 2.558 3.794 143 HH12 ARG 17 HH12 ARG 17 0.201 4.268 3.557 144 HH21 ARG 17 HH21 ARG 17 3.264 4.521 5.223 145 HH22 ARG 17 HH22 ARG 17 2.029 5.383 4.370 146 H VAL 18 H VAL 18 3.778 -2.527 6.437 147 HA VAL 18 HA VAL 18 3.580 -5.311 7.380 148 HB VAL 18 HB VAL 18 5.452 -4.882 5.823 149 HG11 VAL 18 HG11 VAL 18 7.252 -3.434 6.359 150 HG12 VAL 18 HG12 VAL 18 5.772 -2.497 6.575 151 HG13 VAL 18 HG13 VAL 18 6.623 -3.141 7.980 152 HG21 VAL 18 HG21 VAL 18 5.495 -6.247 8.230 153 HG22 VAL 18 HG22 VAL 18 6.635 -6.437 6.898 154 HG23 VAL 18 HG23 VAL 18 7.007 -5.339 8.228 155 H ARG 19 H ARG 19 4.020 -2.005 8.309 156 HA ARG 19 HA ARG 19 4.471 -2.835 11.098 157 HB2 ARG 19 HB2 ARG 19 5.259 -0.370 9.575 158 HB3 ARG 19 HB3 ARG 19 5.127 -0.333 11.328 159 HG2 ARG 19 HG2 ARG 19 6.821 -2.009 11.555 160 HG3 ARG 19 HG3 ARG 19 6.862 -2.266 9.810 161 HD2 ARG 19 HD2 ARG 19 7.521 0.170 9.606 162 HD3 ARG 19 HD3 ARG 19 7.758 0.155 11.353 163 HE ARG 19 HE ARG 19 9.198 -1.976 10.281 164 HH11 ARG 19 HH11 ARG 19 9.205 1.504 10.194 165 HH12 ARG 19 HH12 ARG 19 10.913 1.625 9.935 166 HH21 ARG 19 HH21 ARG 19 11.449 -1.831 9.940 167 HH22 ARG 19 HH22 ARG 19 12.189 -0.273 9.790 168 H GLU 20 H GLU 20 1.907 -3.044 10.142 169 HA GLU 20 HA GLU 20 0.551 -0.722 11.350 170 HB2 GLU 20 HB2 GLU 20 0.193 -1.367 8.835 171 HB3 GLU 20 HB3 GLU 20 -0.847 -2.618 9.500 172 HG2 GLU 20 HG2 GLU 20 -2.138 -0.669 8.883 173 HG3 GLU 20 HG3 GLU 20 -2.183 -0.916 10.628 174 H SER 21 H SER 21 -1.371 -1.153 12.584 175 HA SER 21 HA SER 21 -1.916 -3.876 13.395 176 HB2 SER 21 HB2 SER 21 0.050 -3.007 14.804 177 HB3 SER 21 HB3 SER 21 -1.125 -1.927 15.555 178 HG SER 21 HG SER 21 -1.184 -3.695 16.810 179 HA PRO 22 HA PRO 22 -5.544 -0.976 13.377 180 HB2 PRO 22 HB2 PRO 22 -7.140 -2.611 11.911 181 HB3 PRO 22 HB3 PRO 22 -6.014 -1.460 11.181 182 HG2 PRO 22 HG2 PRO 22 -5.692 -4.403 11.624 183 HG3 PRO 22 HG3 PRO 22 -5.269 -3.433 10.202 184 HD2 PRO 22 HD2 PRO 22 -3.431 -4.219 12.028 185 HD3 PRO 22 HD3 PRO 22 -3.300 -2.687 11.139 186 H LEU 23 H LEU 23 -7.995 -1.924 13.658 187 HA LEU 23 HA LEU 23 -7.928 -3.204 16.236 188 HB2 LEU 23 HB2 LEU 23 -10.097 -2.082 14.498 189 HB3 LEU 23 HB3 LEU 23 -10.481 -3.018 15.941 190 HG LEU 23 HG LEU 23 -10.619 -0.681 16.463 191 HD11 LEU 23 HD11 LEU 23 -9.371 -2.434 17.983 192 HD12 LEU 23 HD12 LEU 23 -9.454 -0.729 18.425 193 HD13 LEU 23 HD13 LEU 23 -7.995 -1.375 17.674 194 HD21 LEU 23 HD21 LEU 23 -7.800 -0.028 16.109 195 HD22 LEU 23 HD22 LEU 23 -9.241 0.897 15.688 196 HD23 LEU 23 HD23 LEU 23 -8.640 -0.348 14.592 197 H SER 24 H SER 24 -9.373 -3.981 13.075 198 HA SER 24 HA SER 24 -10.489 -6.429 13.681 199 HB2 SER 24 HB2 SER 24 -10.835 -5.338 11.525 200 HB3 SER 24 HB3 SER 24 -9.142 -5.587 11.102 201 HG SER 24 HG SER 24 -10.519 -7.180 10.188 202 H SER 25 H SER 25 -7.140 -5.603 13.180 203 HA SER 25 HA SER 25 -6.002 -8.054 12.627 204 HB2 SER 25 HB2 SER 25 -4.875 -5.753 12.848 205 HB3 SER 25 HB3 SER 25 -4.748 -6.119 14.569 206 HG SER 25 HG SER 25 -2.991 -7.118 13.994 207 H ASP 26 H ASP 26 -7.109 -6.776 15.713 208 HA ASP 26 HA ASP 26 -6.206 -9.165 17.117 209 HB2 ASP 26 HB2 ASP 26 -7.228 -6.484 17.933 210 HB3 ASP 26 HB3 ASP 26 -7.450 -7.829 19.048 211 H ALA 27 H ALA 27 -9.073 -7.805 15.754 212 HA ALA 27 HA ALA 27 -11.045 -9.128 17.233 213 HB1 ALA 27 HB1 ALA 27 -12.463 -8.825 15.202 214 HB2 ALA 27 HB2 ALA 27 -11.658 -7.355 15.752 215 HB3 ALA 27 HB3 ALA 27 -11.033 -8.234 14.356 216 H ILE 28 H ILE 28 -8.816 -10.307 14.882 217 HA ILE 28 HA ILE 28 -10.160 -12.524 13.869 218 HB ILE 28 HB ILE 28 -8.010 -13.472 13.348 219 HG12 ILE 28 HG12 ILE 28 -6.855 -11.409 15.238 220 HG13 ILE 28 HG13 ILE 28 -6.943 -13.141 15.540 221 HG21 ILE 28 HG21 ILE 28 -6.992 -10.889 12.834 222 HG22 ILE 28 HG22 ILE 28 -7.881 -11.948 11.742 223 HG23 ILE 28 HG23 ILE 28 -8.750 -10.786 12.744 224 HD11 ILE 28 HD11 ILE 28 -5.623 -13.069 13.167 225 HD12 ILE 28 HD12 ILE 28 -5.039 -11.602 13.951 226 HD13 ILE 28 HD13 ILE 28 -4.858 -13.162 14.753 227 H PHE 29 H PHE 29 -8.647 -12.016 16.971 228 HA PHE 29 HA PHE 29 -8.985 -14.830 17.688 229 HB2 PHE 29 HB2 PHE 29 -6.920 -13.282 18.243 230 HB3 PHE 29 HB3 PHE 29 -7.929 -12.786 19.598 231 HD1 PHE 29 HD1 PHE 29 -5.794 -15.348 18.247 232 HD2 PHE 29 HD2 PHE 29 -8.699 -14.500 21.240 233 HE1 PHE 29 HE1 PHE 29 -5.073 -17.336 19.505 234 HE2 PHE 29 HE2 PHE 29 -7.982 -16.486 22.503 235 HZ PHE 29 HZ PHE 29 -6.167 -17.907 21.636 236 H LYS 30 H LYS 30 -10.724 -11.989 17.785 237 HA LYS 30 HA LYS 30 -11.974 -12.175 20.322 238 HB2 LYS 30 HB2 LYS 30 -11.945 -10.139 18.861 239 HB3 LYS 30 HB3 LYS 30 -13.099 -10.940 17.803 240 HG2 LYS 30 HG2 LYS 30 -14.764 -10.955 19.507 241 HG3 LYS 30 HG3 LYS 30 -13.606 -10.401 20.719 242 HD2 LYS 30 HD2 LYS 30 -13.320 -8.323 19.298 243 HD3 LYS 30 HD3 LYS 30 -14.726 -8.869 18.381 244 HE2 LYS 30 HE2 LYS 30 -15.753 -7.523 19.918 245 HE3 LYS 30 HE3 LYS 30 -15.793 -9.058 20.784 246 HZ1 LYS 30 HZ1 LYS 30 -13.897 -8.413 22.054 247 HZ2 LYS 30 HZ2 LYS 30 -15.027 -7.157 22.143 248 HZ3 LYS 30 HZ3 LYS 30 -13.675 -7.009 21.136 249 H GLN 31 H GLN 31 -12.465 -13.792 17.299 250 HA GLN 31 HA GLN 31 -15.138 -14.638 17.726 251 HB2 GLN 31 HB2 GLN 31 -14.000 -14.625 15.512 252 HB3 GLN 31 HB3 GLN 31 -13.003 -15.969 16.053 253 HG2 GLN 31 HG2 GLN 31 -15.980 -16.187 16.117 254 HG3 GLN 31 HG3 GLN 31 -15.099 -16.423 14.609 255 HE21 GLN 31 HE21 GLN 31 -16.588 -18.136 16.751 256 HE22 GLN 31 HE22 GLN 31 -15.556 -19.512 16.907 257 H SER 32 H SER 32 -12.014 -15.902 18.668 258 HA SER 32 HA SER 32 -12.751 -18.505 19.370 259 HB2 SER 32 HB2 SER 32 -10.407 -17.706 19.239 260 HB3 SER 32 HB3 SER 32 -10.665 -16.764 20.708 261 HG SER 32 HG SER 32 -11.071 -18.720 21.806 262 H HIS 33 H HIS 33 -13.307 -15.474 20.959 263 HA HIS 33 HA HIS 33 -14.437 -16.897 23.278 264 HB2 HIS 33 HB2 HIS 33 -12.509 -15.135 23.520 265 HB3 HIS 33 HB3 HIS 33 -13.814 -13.967 23.329 266 HD1 HIS 33 HD1 HIS 33 -12.158 -16.051 25.808 267 HD2 HIS 33 HD2 HIS 33 -15.875 -14.243 25.390 268 HE1 HIS 33 HE1 HIS 33 -13.160 -16.032 28.115 Start of MODEL 4 1 H1 ASN 1 H ASN 1 -0.191 4.462 0.869 2 HA ASN 1 HA ASN 1 -0.656 1.895 0.294 3 HB2 ASN 1 HB2 ASN 1 -0.401 2.582 -2.206 4 HB3 ASN 1 HB3 ASN 1 -1.605 3.398 -1.213 5 HD21 ASN 1 HD21 ASN 1 -1.652 5.503 -1.436 6 HD22 ASN 1 HD22 ASN 1 -0.322 6.516 -1.872 7 H VAL 2 H VAL 2 0.507 0.115 0.036 8 HA VAL 2 HA VAL 2 2.804 -0.045 -1.614 9 HB VAL 2 HB VAL 2 3.939 1.046 0.229 10 HG11 VAL 2 HG11 VAL 2 2.285 0.327 1.968 11 HG12 VAL 2 HG12 VAL 2 3.082 -1.247 1.985 12 HG13 VAL 2 HG13 VAL 2 3.975 0.200 2.457 13 HG21 VAL 2 HG21 VAL 2 4.956 -0.929 -1.055 14 HG22 VAL 2 HG22 VAL 2 5.742 -0.429 0.443 15 HG23 VAL 2 HG23 VAL 2 4.699 -1.851 0.426 16 H ASP 3 H ASP 3 2.794 -2.038 -2.405 17 HA ASP 3 HA ASP 3 2.456 -4.275 -2.643 18 HB2 ASP 3 HB2 ASP 3 3.837 -4.166 -0.426 19 HB3 ASP 3 HB3 ASP 3 2.310 -4.603 0.335 20 H VAL 4 H VAL 4 0.226 -2.786 -2.930 21 HA VAL 4 HA VAL 4 -1.884 -4.089 -1.366 22 HB VAL 4 HB VAL 4 -3.399 -2.416 -2.401 23 HG11 VAL 4 HG11 VAL 4 -2.945 -0.927 -0.774 24 HG12 VAL 4 HG12 VAL 4 -1.717 -2.104 -0.304 25 HG13 VAL 4 HG13 VAL 4 -1.274 -0.712 -1.292 26 HG21 VAL 4 HG21 VAL 4 -1.513 -0.509 -3.297 27 HG22 VAL 4 HG22 VAL 4 -1.159 -2.026 -4.123 28 HG23 VAL 4 HG23 VAL 4 -2.772 -1.320 -4.229 29 H ARG 5 H ARG 5 -0.641 -5.786 -3.127 30 HA ARG 5 HA ARG 5 -2.301 -5.913 -5.524 31 HB2 ARG 5 HB2 ARG 5 0.258 -7.151 -4.651 32 HB3 ARG 5 HB3 ARG 5 -0.740 -8.069 -5.770 33 HG2 ARG 5 HG2 ARG 5 -0.061 -5.212 -6.331 34 HG3 ARG 5 HG3 ARG 5 1.079 -6.506 -6.705 35 HD2 ARG 5 HD2 ARG 5 -1.774 -6.440 -7.671 36 HD3 ARG 5 HD3 ARG 5 -0.405 -5.836 -8.604 37 HE ARG 5 HE ARG 5 -0.079 -8.548 -7.721 38 HH11 ARG 5 HH11 ARG 5 -1.420 -6.491 -10.189 39 HH12 ARG 5 HH12 ARG 5 -1.411 -7.724 -11.406 40 HH21 ARG 5 HH21 ARG 5 -0.062 -10.180 -9.314 41 HH22 ARG 5 HH22 ARG 5 -0.639 -9.823 -10.907 42 H TYR 6 H TYR 6 -4.175 -6.945 -5.422 43 HA TYR 6 HA TYR 6 -4.373 -9.333 -3.707 44 HB2 TYR 6 HB2 TYR 6 -6.817 -8.727 -3.468 45 HB3 TYR 6 HB3 TYR 6 -5.690 -7.653 -2.648 46 HD1 TYR 6 HD1 TYR 6 -5.605 -5.350 -3.172 47 HD2 TYR 6 HD2 TYR 6 -7.825 -7.998 -5.655 48 HE1 TYR 6 HE1 TYR 6 -6.588 -3.422 -4.340 49 HE2 TYR 6 HE2 TYR 6 -8.813 -6.077 -6.831 50 HH TYR 6 HH TYR 6 -7.881 -3.443 -7.161 51 H THR 7 H THR 7 -6.273 -10.749 -4.384 52 HA THR 7 HA THR 7 -6.613 -10.750 -7.305 53 HB THR 7 HB THR 7 -6.545 -13.453 -6.349 54 HG1 THR 7 HG1 THR 7 -4.717 -13.532 -5.259 55 HG21 THR 7 HG21 THR 7 -4.409 -12.280 -8.067 56 HG22 THR 7 HG22 THR 7 -6.069 -12.286 -8.664 57 HG23 THR 7 HG23 THR 7 -5.280 -13.803 -8.235 58 H TYR 8 H TYR 8 -8.309 -10.063 -4.903 59 HA TYR 8 HA TYR 8 -10.742 -11.140 -5.866 60 HB2 TYR 8 HB2 TYR 8 -11.381 -12.431 -3.843 61 HB3 TYR 8 HB3 TYR 8 -10.046 -13.163 -4.727 62 HD1 TYR 8 HD1 TYR 8 -11.167 -11.922 -1.568 63 HD2 TYR 8 HD2 TYR 8 -7.678 -12.745 -3.860 64 HE1 TYR 8 HE1 TYR 8 -9.825 -11.944 0.494 65 HE2 TYR 8 HE2 TYR 8 -6.327 -12.770 -1.805 66 HH TYR 8 HH TYR 8 -6.333 -12.138 0.411 67 H ARG 9 H ARG 9 -12.447 -10.833 -3.823 68 HA ARG 9 HA ARG 9 -12.005 -8.043 -2.995 69 HB2 ARG 9 HB2 ARG 9 -14.402 -9.550 -3.901 70 HB3 ARG 9 HB3 ARG 9 -14.646 -8.321 -2.667 71 HG2 ARG 9 HG2 ARG 9 -14.954 -7.038 -4.506 72 HG3 ARG 9 HG3 ARG 9 -13.203 -6.877 -4.359 73 HD2 ARG 9 HD2 ARG 9 -13.633 -7.365 -6.632 74 HD3 ARG 9 HD3 ARG 9 -13.012 -8.852 -5.916 75 HE ARG 9 HE ARG 9 -15.813 -8.878 -5.773 76 HH11 ARG 9 HH11 ARG 9 -13.254 -9.052 -8.127 77 HH12 ARG 9 HH12 ARG 9 -14.174 -10.001 -9.248 78 HH21 ARG 9 HH21 ARG 9 -17.034 -10.126 -7.240 79 HH22 ARG 9 HH22 ARG 9 -16.324 -10.610 -8.743 80 HA PRO 10 HA PRO 10 -11.841 -10.396 0.950 81 HB2 PRO 10 HB2 PRO 10 -10.058 -8.715 2.119 82 HB3 PRO 10 HB3 PRO 10 -9.573 -10.046 1.062 83 HG2 PRO 10 HG2 PRO 10 -9.858 -7.133 0.431 84 HG3 PRO 10 HG3 PRO 10 -8.578 -8.262 -0.050 85 HD2 PRO 10 HD2 PRO 10 -10.589 -7.545 -1.716 86 HD3 PRO 10 HD3 PRO 10 -9.832 -9.150 -1.768 87 H SER 11 H SER 11 -12.357 -9.684 3.147 88 HA SER 11 HA SER 11 -14.565 -7.944 3.215 89 HB2 SER 11 HB2 SER 11 -14.579 -9.582 4.884 90 HB3 SER 11 HB3 SER 11 -12.900 -9.280 5.330 91 HG SER 11 HG SER 11 -15.209 -8.013 6.156 92 H VAL 12 H VAL 12 -11.230 -7.526 4.367 93 HA VAL 12 HA VAL 12 -11.449 -4.661 3.971 94 HB VAL 12 HB VAL 12 -10.510 -4.215 6.284 95 HG11 VAL 12 HG11 VAL 12 -12.940 -3.927 5.440 96 HG12 VAL 12 HG12 VAL 12 -13.287 -5.317 6.469 97 HG13 VAL 12 HG13 VAL 12 -12.620 -3.843 7.172 98 HG21 VAL 12 HG21 VAL 12 -11.703 -6.898 6.946 99 HG22 VAL 12 HG22 VAL 12 -9.976 -6.645 6.696 100 HG23 VAL 12 HG23 VAL 12 -10.807 -5.815 8.011 101 HA PRO 13 HA PRO 13 -7.209 -5.050 2.897 102 HB2 PRO 13 HB2 PRO 13 -6.283 -2.576 3.520 103 HB3 PRO 13 HB3 PRO 13 -7.330 -2.888 2.130 104 HG2 PRO 13 HG2 PRO 13 -8.041 -1.829 4.839 105 HG3 PRO 13 HG3 PRO 13 -8.600 -1.290 3.244 106 HD2 PRO 13 HD2 PRO 13 -10.090 -2.884 4.848 107 HD3 PRO 13 HD3 PRO 13 -10.153 -2.984 3.076 108 H ALA 14 H ALA 14 -5.629 -6.091 3.922 109 HA ALA 14 HA ALA 14 -5.403 -6.371 6.675 110 HB1 ALA 14 HB1 ALA 14 -3.590 -7.699 6.265 111 HB2 ALA 14 HB2 ALA 14 -4.318 -7.679 4.658 112 HB3 ALA 14 HB3 ALA 14 -2.948 -6.629 5.018 113 H HIS 15 H HIS 15 -3.721 -4.146 4.495 114 HA HIS 15 HA HIS 15 -3.421 -2.127 6.406 115 HB2 HIS 15 HB2 HIS 15 -0.882 -2.278 6.635 116 HB3 HIS 15 HB3 HIS 15 -1.829 -3.422 7.582 117 HD1 HIS 15 HD1 HIS 15 -0.759 -3.704 3.948 118 HD2 HIS 15 HD2 HIS 15 -0.245 -5.626 7.595 119 HE1 HIS 15 HE1 HIS 15 0.553 -5.786 3.432 120 H ARG 16 H ARG 16 -2.031 -0.340 5.635 121 HA ARG 16 HA ARG 16 -1.585 -0.468 2.727 122 HB2 ARG 16 HB2 ARG 16 -2.574 1.981 4.183 123 HB3 ARG 16 HB3 ARG 16 -2.479 1.726 2.446 124 HG2 ARG 16 HG2 ARG 16 -4.178 -0.104 2.728 125 HG3 ARG 16 HG3 ARG 16 -4.377 0.448 4.392 126 HD2 ARG 16 HD2 ARG 16 -4.877 2.730 3.463 127 HD3 ARG 16 HD3 ARG 16 -4.910 1.992 1.862 128 HE ARG 16 HE ARG 16 -6.997 1.207 2.331 129 HH11 ARG 16 HH11 ARG 16 -5.390 1.948 5.329 130 HH12 ARG 16 HH12 ARG 16 -6.786 1.631 6.306 131 HH21 ARG 16 HH21 ARG 16 -8.841 0.787 3.606 132 HH22 ARG 16 HH22 ARG 16 -8.748 0.970 5.325 133 H ARG 17 H ARG 17 0.403 -0.956 4.636 134 HA ARG 17 HA ARG 17 2.314 1.061 3.890 135 HB2 ARG 17 HB2 ARG 17 1.134 1.004 6.586 136 HB3 ARG 17 HB3 ARG 17 2.892 1.034 6.558 137 HG2 ARG 17 HG2 ARG 17 2.791 3.035 5.104 138 HG3 ARG 17 HG3 ARG 17 1.035 3.028 5.280 139 HD2 ARG 17 HD2 ARG 17 1.113 3.710 7.460 140 HD3 ARG 17 HD3 ARG 17 2.683 2.962 7.750 141 HE ARG 17 HE ARG 17 2.189 5.639 6.879 142 HH11 ARG 17 HH11 ARG 17 4.455 3.000 6.740 143 HH12 ARG 17 HH12 ARG 17 5.826 4.021 6.454 144 HH21 ARG 17 HH21 ARG 17 3.985 6.993 6.503 145 HH22 ARG 17 HH22 ARG 17 5.557 6.292 6.321 146 H VAL 18 H VAL 18 4.489 0.521 5.142 147 HA VAL 18 HA VAL 18 5.018 -2.260 4.547 148 HB VAL 18 HB VAL 18 6.601 -0.485 3.862 149 HG11 VAL 18 HG11 VAL 18 7.781 0.841 5.336 150 HG12 VAL 18 HG12 VAL 18 6.203 0.754 6.121 151 HG13 VAL 18 HG13 VAL 18 7.531 -0.259 6.691 152 HG21 VAL 18 HG21 VAL 18 8.271 -1.993 5.734 153 HG22 VAL 18 HG22 VAL 18 7.159 -2.988 4.795 154 HG23 VAL 18 HG23 VAL 18 8.309 -1.935 3.972 155 H ARG 19 H ARG 19 4.583 -0.256 7.350 156 HA ARG 19 HA ARG 19 4.857 -2.626 9.046 157 HB2 ARG 19 HB2 ARG 19 6.233 0.020 9.501 158 HB3 ARG 19 HB3 ARG 19 6.001 -1.169 10.775 159 HG2 ARG 19 HG2 ARG 19 7.389 -1.859 8.209 160 HG3 ARG 19 HG3 ARG 19 8.246 -1.141 9.575 161 HD2 ARG 19 HD2 ARG 19 7.997 -3.006 10.887 162 HD3 ARG 19 HD3 ARG 19 6.523 -3.518 10.066 163 HE ARG 19 HE ARG 19 8.404 -3.820 8.158 164 HH11 ARG 19 HH11 ARG 19 8.198 -4.873 11.470 165 HH12 ARG 19 HH12 ARG 19 9.142 -6.303 11.211 166 HH21 ARG 19 HH21 ARG 19 9.648 -5.699 7.804 167 HH22 ARG 19 HH22 ARG 19 9.968 -6.771 9.126 168 H GLU 20 H GLU 20 2.482 -2.371 8.772 169 HA GLU 20 HA GLU 20 1.430 -0.448 10.741 170 HB2 GLU 20 HB2 GLU 20 0.876 -0.327 8.091 171 HB3 GLU 20 HB3 GLU 20 -0.412 -1.394 8.633 172 HG2 GLU 20 HG2 GLU 20 0.168 1.292 9.852 173 HG3 GLU 20 HG3 GLU 20 -1.014 1.018 8.574 174 H SER 21 H SER 21 0.626 -1.430 12.462 175 HA SER 21 HA SER 21 -0.479 -4.145 12.149 176 HB2 SER 21 HB2 SER 21 1.187 -2.895 14.290 177 HB3 SER 21 HB3 SER 21 0.019 -4.132 14.754 178 HG SER 21 HG SER 21 2.281 -4.766 14.094 179 HA PRO 22 HA PRO 22 -3.959 -1.332 13.392 180 HB2 PRO 22 HB2 PRO 22 -5.741 -2.376 11.630 181 HB3 PRO 22 HB3 PRO 22 -4.626 -1.071 11.209 182 HG2 PRO 22 HG2 PRO 22 -4.405 -4.004 10.653 183 HG3 PRO 22 HG3 PRO 22 -4.053 -2.633 9.584 184 HD2 PRO 22 HD2 PRO 22 -2.113 -4.000 10.888 185 HD3 PRO 22 HD3 PRO 22 -1.983 -2.266 10.529 186 H LEU 23 H LEU 23 -6.082 -1.949 14.256 187 HA LEU 23 HA LEU 23 -5.993 -4.646 15.415 188 HB2 LEU 23 HB2 LEU 23 -7.196 -2.056 16.315 189 HB3 LEU 23 HB3 LEU 23 -7.763 -3.588 16.975 190 HG LEU 23 HG LEU 23 -6.174 -2.597 18.487 191 HD11 LEU 23 HD11 LEU 23 -6.174 -5.117 17.918 192 HD12 LEU 23 HD12 LEU 23 -4.841 -4.454 18.863 193 HD13 LEU 23 HD13 LEU 23 -4.627 -4.777 17.143 194 HD21 LEU 23 HD21 LEU 23 -3.833 -2.831 16.755 195 HD22 LEU 23 HD22 LEU 23 -4.290 -1.553 17.882 196 HD23 LEU 23 HD23 LEU 23 -4.967 -1.578 16.253 197 H SER 24 H SER 24 -8.434 -2.286 14.314 198 HA SER 24 HA SER 24 -10.602 -3.987 14.158 199 HB2 SER 24 HB2 SER 24 -10.291 -1.952 12.000 200 HB3 SER 24 HB3 SER 24 -11.680 -2.297 13.029 201 HG SER 24 HG SER 24 -10.665 -0.303 13.554 202 H SER 25 H SER 25 -7.894 -3.666 11.989 203 HA SER 25 HA SER 25 -9.019 -5.009 9.763 204 HB2 SER 25 HB2 SER 25 -6.865 -3.560 9.911 205 HB3 SER 25 HB3 SER 25 -6.080 -5.063 10.393 206 HG SER 25 HG SER 25 -7.702 -5.011 8.100 207 H ASP 26 H ASP 26 -7.286 -6.096 12.622 208 HA ASP 26 HA ASP 26 -7.232 -8.847 11.690 209 HB2 ASP 26 HB2 ASP 26 -6.357 -7.644 14.325 210 HB3 ASP 26 HB3 ASP 26 -6.088 -9.311 13.825 211 H ALA 27 H ALA 27 -9.185 -6.797 13.661 212 HA ALA 27 HA ALA 27 -10.403 -8.638 15.363 213 HB1 ALA 27 HB1 ALA 27 -12.308 -6.688 14.453 214 HB2 ALA 27 HB2 ALA 27 -11.517 -6.834 16.023 215 HB3 ALA 27 HB3 ALA 27 -10.736 -5.935 14.722 216 H ILE 28 H ILE 28 -10.739 -8.185 11.960 217 HA ILE 28 HA ILE 28 -13.297 -9.177 11.493 218 HB ILE 28 HB ILE 28 -12.583 -9.703 9.255 219 HG12 ILE 28 HG12 ILE 28 -9.756 -9.383 10.287 220 HG13 ILE 28 HG13 ILE 28 -10.512 -10.902 9.821 221 HG21 ILE 28 HG21 ILE 28 -10.884 -7.445 9.267 222 HG22 ILE 28 HG22 ILE 28 -12.602 -7.518 8.877 223 HG23 ILE 28 HG23 ILE 28 -12.086 -7.207 10.535 224 HD11 ILE 28 HD11 ILE 28 -10.843 -9.346 7.588 225 HD12 ILE 28 HD12 ILE 28 -9.255 -8.862 8.184 226 HD13 ILE 28 HD13 ILE 28 -9.585 -10.558 7.833 227 H PHE 29 H PHE 29 -10.339 -10.839 12.309 228 HA PHE 29 HA PHE 29 -11.574 -13.445 11.829 229 HB2 PHE 29 HB2 PHE 29 -9.173 -12.867 11.139 230 HB3 PHE 29 HB3 PHE 29 -8.781 -12.965 12.852 231 HD1 PHE 29 HD1 PHE 29 -9.804 -14.850 9.886 232 HD2 PHE 29 HD2 PHE 29 -8.737 -15.077 14.001 233 HE1 PHE 29 HE1 PHE 29 -9.535 -17.287 9.679 234 HE2 PHE 29 HE2 PHE 29 -8.466 -17.514 13.799 235 HZ PHE 29 HZ PHE 29 -8.864 -18.622 11.636 236 H LYS 30 H LYS 30 -11.299 -11.213 14.289 237 HA LYS 30 HA LYS 30 -10.756 -12.680 16.576 238 HB2 LYS 30 HB2 LYS 30 -11.098 -10.199 16.440 239 HB3 LYS 30 HB3 LYS 30 -12.830 -10.494 16.350 240 HG2 LYS 30 HG2 LYS 30 -12.899 -11.351 18.545 241 HG3 LYS 30 HG3 LYS 30 -11.140 -11.478 18.630 242 HD2 LYS 30 HD2 LYS 30 -12.344 -8.801 18.135 243 HD3 LYS 30 HD3 LYS 30 -12.440 -9.474 19.764 244 HE2 LYS 30 HE2 LYS 30 -10.449 -8.335 19.878 245 HE3 LYS 30 HE3 LYS 30 -9.890 -9.936 19.395 246 HZ1 LYS 30 HZ1 LYS 30 -9.157 -7.735 18.145 247 HZ2 LYS 30 HZ2 LYS 30 -10.555 -8.073 17.255 248 HZ3 LYS 30 HZ3 LYS 30 -9.313 -9.219 17.347 249 H GLN 31 H GLN 31 -13.604 -12.649 14.578 250 HA GLN 31 HA GLN 31 -15.503 -13.684 16.323 251 HB2 GLN 31 HB2 GLN 31 -16.672 -14.493 14.342 252 HB3 GLN 31 HB3 GLN 31 -16.028 -12.881 14.062 253 HG2 GLN 31 HG2 GLN 31 -14.174 -13.820 12.804 254 HG3 GLN 31 HG3 GLN 31 -14.775 -15.448 13.114 255 HE21 GLN 31 HE21 GLN 31 -14.813 -12.848 11.013 256 HE22 GLN 31 HE22 GLN 31 -16.139 -13.333 10.018 257 H SER 32 H SER 32 -12.892 -15.276 14.617 258 HA SER 32 HA SER 32 -13.801 -17.934 15.231 259 HB2 SER 32 HB2 SER 32 -12.472 -17.595 13.233 260 HB3 SER 32 HB3 SER 32 -11.154 -16.907 14.181 261 HG SER 32 HG SER 32 -11.124 -19.269 13.519 262 H HIS 33 H HIS 33 -11.443 -15.668 16.550 263 HA HIS 33 HA HIS 33 -10.615 -17.575 18.586 264 HB2 HIS 33 HB2 HIS 33 -9.133 -15.802 17.328 265 HB3 HIS 33 HB3 HIS 33 -9.742 -14.712 18.570 266 HD1 HIS 33 HD1 HIS 33 -6.772 -15.302 18.502 267 HD2 HIS 33 HD2 HIS 33 -9.487 -17.535 20.717 268 HE1 HIS 33 HE1 HIS 33 -5.421 -16.393 20.321 Start of MODEL 5 1 H1 ASN 1 H ASN 1 2.701 2.113 -2.724 2 HA ASN 1 HA ASN 1 1.460 0.549 -0.710 3 HB2 ASN 1 HB2 ASN 1 0.403 -1.149 -2.133 4 HB3 ASN 1 HB3 ASN 1 -0.353 0.425 -2.362 5 HD21 ASN 1 HD21 ASN 1 0.429 1.697 -4.220 6 HD22 ASN 1 HD22 ASN 1 0.844 0.849 -5.667 7 H VAL 2 H VAL 2 2.599 -1.328 -0.271 8 HA VAL 2 HA VAL 2 4.889 -1.907 -2.031 9 HB VAL 2 HB VAL 2 5.517 -0.621 0.061 10 HG11 VAL 2 HG11 VAL 2 5.146 -3.216 1.512 11 HG12 VAL 2 HG12 VAL 2 5.406 -1.599 2.169 12 HG13 VAL 2 HG13 VAL 2 3.852 -2.021 1.448 13 HG21 VAL 2 HG21 VAL 2 7.554 -1.559 -0.058 14 HG22 VAL 2 HG22 VAL 2 6.946 -3.168 0.334 15 HG23 VAL 2 HG23 VAL 2 6.837 -2.562 -1.319 16 H ASP 3 H ASP 3 2.102 -3.095 -1.103 17 HA ASP 3 HA ASP 3 2.842 -5.807 -1.548 18 HB2 ASP 3 HB2 ASP 3 2.005 -6.687 0.639 19 HB3 ASP 3 HB3 ASP 3 3.509 -5.780 0.766 20 H VAL 4 H VAL 4 1.294 -5.661 -3.168 21 HA VAL 4 HA VAL 4 -1.494 -5.596 -2.214 22 HB VAL 4 HB VAL 4 -1.161 -3.579 -3.464 23 HG11 VAL 4 HG11 VAL 4 0.415 -3.446 -5.021 24 HG12 VAL 4 HG12 VAL 4 0.615 -5.199 -5.003 25 HG13 VAL 4 HG13 VAL 4 -0.568 -4.456 -6.080 26 HG21 VAL 4 HG21 VAL 4 -2.480 -5.445 -5.412 27 HG22 VAL 4 HG22 VAL 4 -3.221 -5.036 -3.865 28 HG23 VAL 4 HG23 VAL 4 -2.886 -3.768 -5.044 29 H ARG 5 H ARG 5 -2.315 -7.572 -2.355 30 HA ARG 5 HA ARG 5 -2.262 -9.008 -4.843 31 HB2 ARG 5 HB2 ARG 5 -1.364 -11.115 -3.702 32 HB3 ARG 5 HB3 ARG 5 -0.195 -9.874 -4.135 33 HG2 ARG 5 HG2 ARG 5 -0.173 -9.078 -1.831 34 HG3 ARG 5 HG3 ARG 5 -1.361 -10.306 -1.393 35 HD2 ARG 5 HD2 ARG 5 0.933 -10.966 -0.797 36 HD3 ARG 5 HD3 ARG 5 0.199 -12.066 -1.964 37 HE ARG 5 HE ARG 5 1.600 -10.182 -3.427 38 HH11 ARG 5 HH11 ARG 5 2.299 -12.624 -1.047 39 HH12 ARG 5 HH12 ARG 5 3.898 -12.930 -1.640 40 HH21 ARG 5 HH21 ARG 5 3.703 -10.576 -4.218 41 HH22 ARG 5 HH22 ARG 5 4.696 -11.764 -3.443 42 H TYR 6 H TYR 6 -4.397 -9.320 -4.965 43 HA TYR 6 HA TYR 6 -5.674 -10.911 -2.878 44 HB2 TYR 6 HB2 TYR 6 -7.667 -9.423 -2.877 45 HB3 TYR 6 HB3 TYR 6 -6.229 -8.648 -2.221 46 HD1 TYR 6 HD1 TYR 6 -5.330 -6.692 -3.218 47 HD2 TYR 6 HD2 TYR 6 -8.433 -8.838 -5.186 48 HE1 TYR 6 HE1 TYR 6 -5.608 -4.828 -4.798 49 HE2 TYR 6 HE2 TYR 6 -8.719 -6.980 -6.772 50 HH TYR 6 HH TYR 6 -8.276 -4.592 -6.908 51 H THR 7 H THR 7 -7.918 -11.601 -3.602 52 HA THR 7 HA THR 7 -8.077 -11.867 -6.525 53 HB THR 7 HB THR 7 -9.045 -14.263 -5.244 54 HG1 THR 7 HG1 THR 7 -7.005 -15.017 -4.507 55 HG21 THR 7 HG21 THR 7 -7.785 -15.345 -6.928 56 HG22 THR 7 HG22 THR 7 -6.688 -13.974 -7.095 57 HG23 THR 7 HG23 THR 7 -8.355 -13.844 -7.656 58 H TYR 8 H TYR 8 -9.520 -10.277 -4.437 59 HA TYR 8 HA TYR 8 -12.125 -10.535 -5.490 60 HB2 TYR 8 HB2 TYR 8 -13.341 -11.328 -3.552 61 HB3 TYR 8 HB3 TYR 8 -12.138 -12.529 -4.008 62 HD1 TYR 8 HD1 TYR 8 -13.506 -10.702 -1.331 63 HD2 TYR 8 HD2 TYR 8 -9.838 -12.331 -2.740 64 HE1 TYR 8 HE1 TYR 8 -12.619 -10.670 0.962 65 HE2 TYR 8 HE2 TYR 8 -8.940 -12.306 -0.451 66 HH TYR 8 HH TYR 8 -9.780 -12.301 1.856 67 H ARG 9 H ARG 9 -13.678 -9.408 -3.566 68 HA ARG 9 HA ARG 9 -12.303 -6.855 -3.061 69 HB2 ARG 9 HB2 ARG 9 -14.240 -6.826 -4.650 70 HB3 ARG 9 HB3 ARG 9 -15.275 -7.328 -3.320 71 HG2 ARG 9 HG2 ARG 9 -14.682 -5.278 -2.106 72 HG3 ARG 9 HG3 ARG 9 -13.694 -4.771 -3.478 73 HD2 ARG 9 HD2 ARG 9 -15.721 -3.652 -3.788 74 HD3 ARG 9 HD3 ARG 9 -15.824 -5.039 -4.870 75 HE ARG 9 HE ARG 9 -16.962 -5.816 -2.468 76 HH11 ARG 9 HH11 ARG 9 -17.545 -3.439 -4.943 77 HH12 ARG 9 HH12 ARG 9 -19.259 -3.409 -4.694 78 HH21 ARG 9 HH21 ARG 9 -19.217 -5.786 -2.130 79 HH22 ARG 9 HH22 ARG 9 -20.209 -4.744 -3.093 80 HA PRO 10 HA PRO 10 -13.035 -8.587 1.137 81 HB2 PRO 10 HB2 PRO 10 -10.774 -7.523 2.199 82 HB3 PRO 10 HB3 PRO 10 -10.797 -9.065 1.335 83 HG2 PRO 10 HG2 PRO 10 -9.996 -6.354 0.350 84 HG3 PRO 10 HG3 PRO 10 -9.210 -7.920 0.079 85 HD2 PRO 10 HD2 PRO 10 -10.805 -6.751 -1.771 86 HD3 PRO 10 HD3 PRO 10 -10.685 -8.513 -1.590 87 H SER 11 H SER 11 -13.278 -7.457 3.203 88 HA SER 11 HA SER 11 -14.679 -5.024 2.923 89 HB2 SER 11 HB2 SER 11 -13.826 -6.741 5.204 90 HB3 SER 11 HB3 SER 11 -14.298 -5.081 5.566 91 HG SER 11 HG SER 11 -15.897 -7.092 5.244 92 H VAL 12 H VAL 12 -11.528 -5.738 4.424 93 HA VAL 12 HA VAL 12 -10.554 -3.119 3.648 94 HB VAL 12 HB VAL 12 -9.716 -2.676 6.002 95 HG11 VAL 12 HG11 VAL 12 -11.840 -1.731 4.735 96 HG12 VAL 12 HG12 VAL 12 -12.684 -2.548 6.052 97 HG13 VAL 12 HG13 VAL 12 -11.489 -1.300 6.409 98 HG21 VAL 12 HG21 VAL 12 -11.952 -4.096 7.209 99 HG22 VAL 12 HG22 VAL 12 -10.750 -5.180 6.508 100 HG23 VAL 12 HG23 VAL 12 -10.267 -3.994 7.721 101 HA PRO 13 HA PRO 13 -6.744 -5.268 3.264 102 HB2 PRO 13 HB2 PRO 13 -4.967 -3.263 3.703 103 HB3 PRO 13 HB3 PRO 13 -5.928 -3.388 2.225 104 HG2 PRO 13 HG2 PRO 13 -6.389 -1.689 4.646 105 HG3 PRO 13 HG3 PRO 13 -6.548 -1.261 2.933 106 HD2 PRO 13 HD2 PRO 13 -8.681 -1.869 4.486 107 HD3 PRO 13 HD3 PRO 13 -8.627 -2.240 2.751 108 H ALA 14 H ALA 14 -4.741 -5.841 4.403 109 HA ALA 14 HA ALA 14 -5.215 -6.019 7.274 110 HB1 ALA 14 HB1 ALA 14 -4.644 -8.031 5.892 111 HB2 ALA 14 HB2 ALA 14 -3.029 -7.350 5.688 112 HB3 ALA 14 HB3 ALA 14 -3.610 -7.776 7.298 113 H HIS 15 H HIS 15 -2.778 -4.825 5.007 114 HA HIS 15 HA HIS 15 -1.945 -2.727 6.666 115 HB2 HIS 15 HB2 HIS 15 0.373 -3.576 7.187 116 HB3 HIS 15 HB3 HIS 15 -0.923 -4.334 8.108 117 HD1 HIS 15 HD1 HIS 15 -1.430 -6.823 7.616 118 HD2 HIS 15 HD2 HIS 15 1.734 -5.263 5.421 119 HE1 HIS 15 HE1 HIS 15 -0.264 -8.812 6.612 120 H ARG 16 H ARG 16 -0.842 -1.259 5.487 121 HA ARG 16 HA ARG 16 0.482 -2.152 3.023 122 HB2 ARG 16 HB2 ARG 16 -1.385 0.220 3.189 123 HB3 ARG 16 HB3 ARG 16 -0.517 -0.326 1.761 124 HG2 ARG 16 HG2 ARG 16 -1.869 -2.199 1.501 125 HG3 ARG 16 HG3 ARG 16 -2.445 -2.131 3.167 126 HD2 ARG 16 HD2 ARG 16 -4.267 -1.307 2.034 127 HD3 ARG 16 HD3 ARG 16 -3.409 0.183 2.426 128 HE ARG 16 HE ARG 16 -2.710 -0.933 -0.133 129 HH11 ARG 16 HH11 ARG 16 -4.903 1.149 1.593 130 HH12 ARG 16 HH12 ARG 16 -5.338 2.070 0.192 131 HH21 ARG 16 HH21 ARG 16 -3.274 0.273 -1.985 132 HH22 ARG 16 HH22 ARG 16 -4.412 1.570 -1.843 133 H ARG 17 H ARG 17 1.732 -1.510 5.442 134 HA ARG 17 HA ARG 17 3.474 0.605 4.556 135 HB2 ARG 17 HB2 ARG 17 1.469 1.053 6.667 136 HB3 ARG 17 HB3 ARG 17 3.107 1.528 7.095 137 HG2 ARG 17 HG2 ARG 17 3.197 2.901 5.036 138 HG3 ARG 17 HG3 ARG 17 1.505 2.495 4.738 139 HD2 ARG 17 HD2 ARG 17 0.748 3.793 6.463 140 HD3 ARG 17 HD3 ARG 17 2.231 3.605 7.397 141 HE ARG 17 HE ARG 17 3.101 5.448 6.338 142 HH11 ARG 17 HH11 ARG 17 0.223 4.400 4.683 143 HH12 ARG 17 HH12 ARG 17 0.136 5.805 3.671 144 HH21 ARG 17 HH21 ARG 17 2.998 7.301 5.012 145 HH22 ARG 17 HH22 ARG 17 1.716 7.454 3.859 146 H VAL 18 H VAL 18 5.116 1.045 6.505 147 HA VAL 18 HA VAL 18 6.159 -1.589 7.180 148 HB VAL 18 HB VAL 18 7.654 0.110 6.171 149 HG11 VAL 18 HG11 VAL 18 8.432 1.990 7.537 150 HG12 VAL 18 HG12 VAL 18 6.703 2.102 7.202 151 HG13 VAL 18 HG13 VAL 18 7.262 1.563 8.786 152 HG21 VAL 18 HG21 VAL 18 8.537 -0.529 8.976 153 HG22 VAL 18 HG22 VAL 18 8.433 -1.747 7.705 154 HG23 VAL 18 HG23 VAL 18 9.532 -0.379 7.527 155 H ARG 19 H ARG 19 4.676 1.151 8.703 156 HA ARG 19 HA ARG 19 4.954 -0.193 11.307 157 HB2 ARG 19 HB2 ARG 19 4.864 2.139 12.312 158 HB3 ARG 19 HB3 ARG 19 6.358 1.700 11.494 159 HG2 ARG 19 HG2 ARG 19 5.924 3.091 9.684 160 HG3 ARG 19 HG3 ARG 19 4.201 3.188 10.051 161 HD2 ARG 19 HD2 ARG 19 4.574 4.617 11.892 162 HD3 ARG 19 HD3 ARG 19 6.305 4.282 11.897 163 HE ARG 19 HE ARG 19 5.823 5.406 9.453 164 HH11 ARG 19 HH11 ARG 19 5.286 6.350 12.761 165 HH12 ARG 19 HH12 ARG 19 5.446 8.045 12.440 166 HH21 ARG 19 HH21 ARG 19 6.036 7.635 9.018 167 HH22 ARG 19 HH22 ARG 19 5.872 8.775 10.311 168 H GLU 20 H GLU 20 2.836 -0.782 9.728 169 HA GLU 20 HA GLU 20 0.630 0.560 11.129 170 HB2 GLU 20 HB2 GLU 20 1.026 1.231 8.624 171 HB3 GLU 20 HB3 GLU 20 0.271 -0.321 8.290 172 HG2 GLU 20 HG2 GLU 20 -1.106 1.506 10.175 173 HG3 GLU 20 HG3 GLU 20 -1.119 1.921 8.462 174 H SER 21 H SER 21 0.845 -1.351 12.499 175 HA SER 21 HA SER 21 -0.378 -3.741 11.281 176 HB2 SER 21 HB2 SER 21 0.737 -5.070 13.017 177 HB3 SER 21 HB3 SER 21 1.917 -4.144 12.089 178 HG SER 21 HG SER 21 1.722 -2.548 13.845 179 HA PRO 22 HA PRO 22 -3.399 -1.965 14.329 180 HB2 PRO 22 HB2 PRO 22 -5.560 -2.264 12.713 181 HB3 PRO 22 HB3 PRO 22 -4.519 -0.835 12.672 182 HG2 PRO 22 HG2 PRO 22 -4.529 -3.225 10.868 183 HG3 PRO 22 HG3 PRO 22 -4.373 -1.508 10.451 184 HD2 PRO 22 HD2 PRO 22 -2.242 -3.174 10.588 185 HD3 PRO 22 HD3 PRO 22 -2.134 -1.450 10.997 186 H LEU 23 H LEU 23 -5.241 -3.035 15.325 187 HA LEU 23 HA LEU 23 -5.037 -5.957 15.101 188 HB2 LEU 23 HB2 LEU 23 -5.833 -4.115 17.327 189 HB3 LEU 23 HB3 LEU 23 -6.287 -5.817 17.353 190 HG LEU 23 HG LEU 23 -4.324 -5.500 18.700 191 HD11 LEU 23 HD11 LEU 23 -4.584 -7.434 16.914 192 HD12 LEU 23 HD12 LEU 23 -3.144 -7.284 17.920 193 HD13 LEU 23 HD13 LEU 23 -3.125 -6.690 16.260 194 HD21 LEU 23 HD21 LEU 23 -3.681 -3.495 16.947 195 HD22 LEU 23 HD22 LEU 23 -2.502 -4.745 16.549 196 HD23 LEU 23 HD23 LEU 23 -2.622 -4.140 18.201 197 H SER 24 H SER 24 -7.489 -3.437 15.694 198 HA SER 24 HA SER 24 -9.761 -4.980 15.424 199 HB2 SER 24 HB2 SER 24 -9.538 -2.159 14.367 200 HB3 SER 24 HB3 SER 24 -10.965 -2.956 15.030 201 HG SER 24 HG SER 24 -9.301 -1.469 16.338 202 H SER 25 H SER 25 -7.616 -3.769 12.958 203 HA SER 25 HA SER 25 -9.324 -4.139 10.734 204 HB2 SER 25 HB2 SER 25 -6.300 -4.148 10.880 205 HB3 SER 25 HB3 SER 25 -7.242 -4.043 9.393 206 HG SER 25 HG SER 25 -6.570 -1.984 10.176 207 H ASP 26 H ASP 26 -7.089 -6.253 12.435 208 HA ASP 26 HA ASP 26 -7.471 -8.404 10.523 209 HB2 ASP 26 HB2 ASP 26 -5.894 -8.213 13.094 210 HB3 ASP 26 HB3 ASP 26 -5.992 -9.678 12.121 211 H ALA 27 H ALA 27 -8.783 -7.330 13.526 212 HA ALA 27 HA ALA 27 -9.752 -9.710 14.607 213 HB1 ALA 27 HB1 ALA 27 -10.109 -6.915 15.056 214 HB2 ALA 27 HB2 ALA 27 -11.682 -7.712 15.099 215 HB3 ALA 27 HB3 ALA 27 -10.386 -8.261 16.161 216 H ILE 28 H ILE 28 -10.768 -7.949 11.823 217 HA ILE 28 HA ILE 28 -13.441 -8.695 11.607 218 HB ILE 28 HB ILE 28 -13.268 -8.282 9.243 219 HG12 ILE 28 HG12 ILE 28 -10.269 -8.381 9.637 220 HG13 ILE 28 HG13 ILE 28 -11.235 -9.595 8.806 221 HG21 ILE 28 HG21 ILE 28 -11.417 -6.205 9.739 222 HG22 ILE 28 HG22 ILE 28 -13.178 -6.127 9.754 223 HG23 ILE 28 HG23 ILE 28 -12.299 -6.496 11.238 224 HD11 ILE 28 HD11 ILE 28 -10.306 -6.958 7.892 225 HD12 ILE 28 HD12 ILE 28 -10.572 -8.451 6.990 226 HD13 ILE 28 HD13 ILE 28 -11.938 -7.418 7.409 227 H PHE 29 H PHE 29 -10.527 -10.519 11.014 228 HA PHE 29 HA PHE 29 -12.049 -12.732 9.859 229 HB2 PHE 29 HB2 PHE 29 -9.816 -11.914 8.909 230 HB3 PHE 29 HB3 PHE 29 -9.071 -12.664 10.316 231 HD1 PHE 29 HD1 PHE 29 -10.872 -13.267 7.186 232 HD2 PHE 29 HD2 PHE 29 -8.933 -15.052 10.528 233 HE1 PHE 29 HE1 PHE 29 -10.849 -15.429 6.013 234 HE2 PHE 29 HE2 PHE 29 -8.906 -17.217 9.360 235 HZ PHE 29 HZ PHE 29 -9.864 -17.408 7.099 236 H LYS 30 H LYS 30 -11.071 -11.655 12.857 237 HA LYS 30 HA LYS 30 -10.187 -13.922 14.197 238 HB2 LYS 30 HB2 LYS 30 -10.212 -11.665 15.180 239 HB3 LYS 30 HB3 LYS 30 -11.968 -11.721 15.261 240 HG2 LYS 30 HG2 LYS 30 -11.689 -13.770 16.730 241 HG3 LYS 30 HG3 LYS 30 -9.982 -13.334 16.829 242 HD2 LYS 30 HD2 LYS 30 -12.270 -11.519 17.585 243 HD3 LYS 30 HD3 LYS 30 -11.324 -12.476 18.728 244 HE2 LYS 30 HE2 LYS 30 -9.337 -11.262 18.210 245 HE3 LYS 30 HE3 LYS 30 -10.116 -10.453 16.851 246 HZ1 LYS 30 HZ1 LYS 30 -11.703 -9.832 18.968 247 HZ2 LYS 30 HZ2 LYS 30 -10.528 -8.824 18.288 248 HZ3 LYS 30 HZ3 LYS 30 -10.149 -9.776 19.634 249 H GLN 31 H GLN 31 -13.352 -13.108 13.043 250 HA GLN 31 HA GLN 31 -15.001 -14.633 14.648 251 HB2 GLN 31 HB2 GLN 31 -15.717 -13.109 12.790 252 HB3 GLN 31 HB3 GLN 31 -15.265 -14.370 11.651 253 HG2 GLN 31 HG2 GLN 31 -17.466 -14.843 11.827 254 HG3 GLN 31 HG3 GLN 31 -16.882 -15.805 13.184 255 HE21 GLN 31 HE21 GLN 31 -19.487 -15.017 13.079 256 HE22 GLN 31 HE22 GLN 31 -19.794 -13.831 14.298 257 H SER 32 H SER 32 -12.764 -15.660 12.180 258 HA SER 32 HA SER 32 -13.788 -18.350 12.042 259 HB2 SER 32 HB2 SER 32 -12.699 -17.331 10.089 260 HB3 SER 32 HB3 SER 32 -11.195 -17.182 10.998 261 HG SER 32 HG SER 32 -12.236 -19.340 9.710 262 H HIS 33 H HIS 33 -11.251 -16.648 13.752 263 HA HIS 33 HA HIS 33 -10.003 -19.038 14.754 264 HB2 HIS 33 HB2 HIS 33 -8.797 -16.863 14.391 265 HB3 HIS 33 HB3 HIS 33 -9.681 -16.208 15.766 266 HD1 HIS 33 HD1 HIS 33 -7.828 -19.512 15.362 267 HD2 HIS 33 HD2 HIS 33 -7.902 -16.146 17.796 268 HE1 HIS 33 HE1 HIS 33 -6.140 -19.954 17.173 Start of MODEL 6 1 H1 ASN 1 H ASN 1 1.619 -3.757 4.125 2 HA ASN 1 HA ASN 1 3.664 -2.704 2.318 3 HB2 ASN 1 HB2 ASN 1 4.023 -5.025 1.406 4 HB3 ASN 1 HB3 ASN 1 4.662 -4.764 3.026 5 HD21 ASN 1 HD21 ASN 1 3.907 -5.954 4.687 6 HD22 ASN 1 HD22 ASN 1 2.709 -7.188 4.532 7 H VAL 2 H VAL 2 2.723 -1.981 0.535 8 HA VAL 2 HA VAL 2 -0.005 -2.274 -0.027 9 HB VAL 2 HB VAL 2 2.162 -1.543 -1.999 10 HG11 VAL 2 HG11 VAL 2 0.410 -0.359 -3.178 11 HG12 VAL 2 HG12 VAL 2 -0.040 -2.054 -2.984 12 HG13 VAL 2 HG13 VAL 2 -0.766 -0.824 -1.950 13 HG21 VAL 2 HG21 VAL 2 1.456 0.821 -1.345 14 HG22 VAL 2 HG22 VAL 2 0.732 0.083 0.083 15 HG23 VAL 2 HG23 VAL 2 2.466 -0.064 -0.202 16 H ASP 3 H ASP 3 -0.824 -4.273 -0.319 17 HA ASP 3 HA ASP 3 0.538 -6.156 -2.084 18 HB2 ASP 3 HB2 ASP 3 -0.342 -6.952 0.088 19 HB3 ASP 3 HB3 ASP 3 -1.970 -6.522 -0.430 20 H VAL 4 H VAL 4 -0.157 -6.716 -4.070 21 HA VAL 4 HA VAL 4 -2.609 -5.408 -5.053 22 HB VAL 4 HB VAL 4 -0.391 -4.688 -6.065 23 HG11 VAL 4 HG11 VAL 4 0.889 -6.092 -7.314 24 HG12 VAL 4 HG12 VAL 4 0.232 -7.272 -6.178 25 HG13 VAL 4 HG13 VAL 4 -0.479 -7.101 -7.784 26 HG21 VAL 4 HG21 VAL 4 -1.485 -5.289 -8.491 27 HG22 VAL 4 HG22 VAL 4 -2.871 -5.464 -7.414 28 HG23 VAL 4 HG23 VAL 4 -1.979 -3.943 -7.464 29 H ARG 5 H ARG 5 -2.229 -8.094 -3.773 30 HA ARG 5 HA ARG 5 -3.253 -9.743 -5.990 31 HB2 ARG 5 HB2 ARG 5 -1.533 -10.455 -3.632 32 HB3 ARG 5 HB3 ARG 5 -2.511 -11.678 -4.432 33 HG2 ARG 5 HG2 ARG 5 -1.296 -11.542 -6.405 34 HG3 ARG 5 HG3 ARG 5 -0.641 -9.954 -6.004 35 HD2 ARG 5 HD2 ARG 5 1.029 -11.765 -5.809 36 HD3 ARG 5 HD3 ARG 5 0.756 -10.912 -4.290 37 HE ARG 5 HE ARG 5 -0.843 -13.283 -4.603 38 HH11 ARG 5 HH11 ARG 5 2.213 -12.000 -3.539 39 HH12 ARG 5 HH12 ARG 5 2.534 -13.311 -2.453 40 HH21 ARG 5 HH21 ARG 5 -0.432 -15.015 -3.177 41 HH22 ARG 5 HH22 ARG 5 1.029 -15.026 -2.248 42 H TYR 6 H TYR 6 -5.419 -9.360 -5.733 43 HA TYR 6 HA TYR 6 -6.588 -10.254 -3.180 44 HB2 TYR 6 HB2 TYR 6 -8.429 -8.641 -3.564 45 HB3 TYR 6 HB3 TYR 6 -6.869 -7.849 -3.368 46 HD1 TYR 6 HD1 TYR 6 -5.857 -6.634 -5.182 47 HD2 TYR 6 HD2 TYR 6 -9.520 -8.719 -5.763 48 HE1 TYR 6 HE1 TYR 6 -6.185 -5.451 -7.313 49 HE2 TYR 6 HE2 TYR 6 -9.858 -7.543 -7.896 50 HH TYR 6 HH TYR 6 -8.793 -6.291 -9.498 51 H THR 7 H THR 7 -8.820 -11.072 -3.380 52 HA THR 7 HA THR 7 -9.451 -12.153 -6.035 53 HB THR 7 HB THR 7 -10.182 -14.137 -4.149 54 HG1 THR 7 HG1 THR 7 -8.548 -14.231 -2.815 55 HG21 THR 7 HG21 THR 7 -7.820 -14.351 -5.985 56 HG22 THR 7 HG22 THR 7 -9.455 -14.225 -6.634 57 HG23 THR 7 HG23 THR 7 -9.026 -15.570 -5.577 58 H TYR 8 H TYR 8 -10.524 -10.066 -4.085 59 HA TYR 8 HA TYR 8 -13.267 -10.463 -4.640 60 HB2 TYR 8 HB2 TYR 8 -14.144 -10.802 -2.408 61 HB3 TYR 8 HB3 TYR 8 -13.023 -12.103 -2.789 62 HD1 TYR 8 HD1 TYR 8 -13.949 -9.722 -0.371 63 HD2 TYR 8 HD2 TYR 8 -10.547 -11.708 -1.980 64 HE1 TYR 8 HE1 TYR 8 -12.699 -9.238 1.691 65 HE2 TYR 8 HE2 TYR 8 -9.288 -11.230 0.078 66 HH TYR 8 HH TYR 8 -10.645 -9.222 2.638 67 H ARG 9 H ARG 9 -14.493 -8.918 -2.771 68 HA ARG 9 HA ARG 9 -13.073 -6.354 -3.042 69 HB2 ARG 9 HB2 ARG 9 -15.424 -5.385 -2.766 70 HB3 ARG 9 HB3 ARG 9 -15.064 -6.199 -4.283 71 HG2 ARG 9 HG2 ARG 9 -16.201 -8.208 -3.471 72 HG3 ARG 9 HG3 ARG 9 -16.572 -7.378 -1.958 73 HD2 ARG 9 HD2 ARG 9 -18.524 -7.085 -3.154 74 HD3 ARG 9 HD3 ARG 9 -17.652 -5.595 -3.511 75 HE ARG 9 HE ARG 9 -17.142 -7.647 -5.433 76 HH11 ARG 9 HH11 ARG 9 -19.398 -5.172 -4.482 77 HH12 ARG 9 HH12 ARG 9 -20.039 -4.960 -6.078 78 HH21 ARG 9 HH21 ARG 9 -17.978 -7.378 -7.539 79 HH22 ARG 9 HH22 ARG 9 -19.231 -6.216 -7.815 80 HA PRO 10 HA PRO 10 -13.096 -7.152 1.488 81 HB2 PRO 10 HB2 PRO 10 -10.700 -5.953 1.923 82 HB3 PRO 10 HB3 PRO 10 -10.852 -7.640 1.418 83 HG2 PRO 10 HG2 PRO 10 -10.243 -5.217 -0.230 84 HG3 PRO 10 HG3 PRO 10 -9.500 -6.826 -0.290 85 HD2 PRO 10 HD2 PRO 10 -11.385 -6.025 -2.061 86 HD3 PRO 10 HD3 PRO 10 -11.224 -7.714 -1.537 87 H SER 11 H SER 11 -13.007 -5.611 3.282 88 HA SER 11 HA SER 11 -14.329 -3.160 2.605 89 HB2 SER 11 HB2 SER 11 -14.865 -4.521 4.639 90 HB3 SER 11 HB3 SER 11 -13.307 -4.044 5.313 91 HG SER 11 HG SER 11 -15.208 -2.739 5.916 92 H VAL 12 H VAL 12 -11.495 -3.650 4.709 93 HA VAL 12 HA VAL 12 -10.234 -1.319 3.429 94 HB VAL 12 HB VAL 12 -9.301 -0.744 5.714 95 HG11 VAL 12 HG11 VAL 12 -10.806 0.881 5.600 96 HG12 VAL 12 HG12 VAL 12 -11.772 -0.101 4.497 97 HG13 VAL 12 HG13 VAL 12 -12.046 -0.199 6.237 98 HG21 VAL 12 HG21 VAL 12 -11.617 -2.017 7.010 99 HG22 VAL 12 HG22 VAL 12 -10.337 -3.117 6.495 100 HG23 VAL 12 HG23 VAL 12 -9.969 -1.790 7.597 101 HA PRO 13 HA PRO 13 -6.596 -3.759 3.131 102 HB2 PRO 13 HB2 PRO 13 -4.671 -1.859 3.362 103 HB3 PRO 13 HB3 PRO 13 -5.683 -2.032 1.922 104 HG2 PRO 13 HG2 PRO 13 -5.952 -0.117 4.208 105 HG3 PRO 13 HG3 PRO 13 -6.131 0.183 2.469 106 HD2 PRO 13 HD2 PRO 13 -8.254 -0.143 4.118 107 HD3 PRO 13 HD3 PRO 13 -8.277 -0.655 2.418 108 H ALA 14 H ALA 14 -5.677 -5.071 4.568 109 HA ALA 14 HA ALA 14 -5.762 -4.788 7.311 110 HB1 ALA 14 HB1 ALA 14 -5.155 -6.827 5.782 111 HB2 ALA 14 HB2 ALA 14 -3.500 -6.306 6.101 112 HB3 ALA 14 HB3 ALA 14 -4.562 -6.740 7.441 113 H HIS 15 H HIS 15 -3.177 -3.867 5.079 114 HA HIS 15 HA HIS 15 -2.247 -1.759 6.669 115 HB2 HIS 15 HB2 HIS 15 0.011 -2.794 7.265 116 HB3 HIS 15 HB3 HIS 15 -1.368 -3.289 8.242 117 HD1 HIS 15 HD1 HIS 15 -0.123 -4.647 4.911 118 HD2 HIS 15 HD2 HIS 15 -0.914 -5.896 8.794 119 HE1 HIS 15 HE1 HIS 15 0.266 -7.132 4.910 120 H ARG 16 H ARG 16 -0.508 -0.618 5.705 121 HA ARG 16 HA ARG 16 0.693 -1.672 3.288 122 HB2 ARG 16 HB2 ARG 16 -0.055 0.306 1.938 123 HB3 ARG 16 HB3 ARG 16 -1.334 -0.833 2.337 124 HG2 ARG 16 HG2 ARG 16 -2.295 0.610 3.899 125 HG3 ARG 16 HG3 ARG 16 -0.841 1.604 4.008 126 HD2 ARG 16 HD2 ARG 16 -1.198 2.424 1.757 127 HD3 ARG 16 HD3 ARG 16 -2.592 1.362 1.565 128 HE ARG 16 HE ARG 16 -3.850 2.921 2.649 129 HH11 ARG 16 HH11 ARG 16 -0.504 3.444 3.455 130 HH12 ARG 16 HH12 ARG 16 -0.812 4.889 4.359 131 HH21 ARG 16 HH21 ARG 16 -4.268 4.823 3.837 132 HH22 ARG 16 HH22 ARG 16 -2.954 5.673 4.576 133 H ARG 17 H ARG 17 1.831 -0.967 5.736 134 HA ARG 17 HA ARG 17 3.694 1.071 4.852 135 HB2 ARG 17 HB2 ARG 17 1.748 1.482 7.053 136 HB3 ARG 17 HB3 ARG 17 3.400 2.004 7.357 137 HG2 ARG 17 HG2 ARG 17 3.330 3.416 5.371 138 HG3 ARG 17 HG3 ARG 17 1.680 2.881 5.046 139 HD2 ARG 17 HD2 ARG 17 0.826 3.994 6.913 140 HD3 ARG 17 HD3 ARG 17 2.413 4.137 7.666 141 HE ARG 17 HE ARG 17 2.574 5.574 5.329 142 HH11 ARG 17 HH11 ARG 17 0.608 5.649 8.201 143 HH12 ARG 17 HH12 ARG 17 0.344 7.360 8.133 144 HH21 ARG 17 HH21 ARG 17 2.233 7.828 5.228 145 HH22 ARG 17 HH22 ARG 17 1.267 8.598 6.441 146 H VAL 18 H VAL 18 5.362 1.403 6.785 147 HA VAL 18 HA VAL 18 6.340 -1.266 7.380 148 HB VAL 18 HB VAL 18 7.911 0.377 6.480 149 HG11 VAL 18 HG11 VAL 18 8.627 2.291 7.844 150 HG12 VAL 18 HG12 VAL 18 6.926 2.403 7.390 151 HG13 VAL 18 HG13 VAL 18 7.374 1.908 9.023 152 HG21 VAL 18 HG21 VAL 18 9.716 -0.087 7.924 153 HG22 VAL 18 HG22 VAL 18 8.668 -0.160 9.341 154 HG23 VAL 18 HG23 VAL 18 8.594 -1.434 8.124 155 H ARG 19 H ARG 19 4.898 1.434 9.018 156 HA ARG 19 HA ARG 19 5.115 -0.043 11.557 157 HB2 ARG 19 HB2 ARG 19 5.393 2.917 11.063 158 HB3 ARG 19 HB3 ARG 19 5.021 2.263 12.652 159 HG2 ARG 19 HG2 ARG 19 7.107 0.931 12.539 160 HG3 ARG 19 HG3 ARG 19 7.490 1.734 11.015 161 HD2 ARG 19 HD2 ARG 19 6.901 3.309 13.498 162 HD3 ARG 19 HD3 ARG 19 8.512 2.662 13.190 163 HE ARG 19 HE ARG 19 7.819 3.996 10.895 164 HH11 ARG 19 HH11 ARG 19 8.141 4.811 14.264 165 HH12 ARG 19 HH12 ARG 19 8.588 6.457 13.958 166 HH21 ARG 19 HH21 ARG 19 8.406 6.160 10.479 167 HH22 ARG 19 HH22 ARG 19 8.737 7.223 11.804 168 H GLU 20 H GLU 20 3.016 -0.750 10.264 169 HA GLU 20 HA GLU 20 0.813 0.772 11.469 170 HB2 GLU 20 HB2 GLU 20 1.143 1.167 8.935 171 HB3 GLU 20 HB3 GLU 20 0.529 -0.470 8.747 172 HG2 GLU 20 HG2 GLU 20 -1.415 0.669 8.540 173 HG3 GLU 20 HG3 GLU 20 -1.402 0.462 10.290 174 H SER 21 H SER 21 -0.676 -0.444 12.480 175 HA SER 21 HA SER 21 -1.130 -3.201 11.800 176 HB2 SER 21 HB2 SER 21 -0.529 -4.061 14.073 177 HB3 SER 21 HB3 SER 21 0.862 -3.522 13.131 178 HG SER 21 HG SER 21 1.121 -2.618 15.107 179 HA PRO 22 HA PRO 22 -4.687 -0.875 13.677 180 HB2 PRO 22 HB2 PRO 22 -6.445 -1.508 11.707 181 HB3 PRO 22 HB3 PRO 22 -5.370 -0.108 11.621 182 HG2 PRO 22 HG2 PRO 22 -5.066 -2.808 10.366 183 HG3 PRO 22 HG3 PRO 22 -4.758 -1.208 9.666 184 HD2 PRO 22 HD2 PRO 22 -2.774 -2.795 10.603 185 HD3 PRO 22 HD3 PRO 22 -2.696 -1.023 10.679 186 H LEU 23 H LEU 23 -7.117 -1.904 13.625 187 HA LEU 23 HA LEU 23 -6.818 -4.409 15.032 188 HB2 LEU 23 HB2 LEU 23 -9.112 -2.544 14.526 189 HB3 LEU 23 HB3 LEU 23 -9.364 -4.134 15.244 190 HG LEU 23 HG LEU 23 -9.302 -2.497 16.992 191 HD11 LEU 23 HD11 LEU 23 -8.044 -4.747 17.176 192 HD12 LEU 23 HD12 LEU 23 -7.787 -3.517 18.413 193 HD13 LEU 23 HD13 LEU 23 -6.590 -3.749 17.139 194 HD21 LEU 23 HD21 LEU 23 -6.527 -1.666 16.678 195 HD22 LEU 23 HD22 LEU 23 -7.965 -0.708 17.034 196 HD23 LEU 23 HD23 LEU 23 -7.570 -1.118 15.365 197 H SER 24 H SER 24 -8.623 -3.269 12.185 198 HA SER 24 HA SER 24 -9.838 -5.630 11.439 199 HB2 SER 24 HB2 SER 24 -10.461 -3.715 10.222 200 HB3 SER 24 HB3 SER 24 -8.790 -3.315 9.824 201 HG SER 24 HG SER 24 -8.849 -4.659 8.190 202 H SER 25 H SER 25 -6.504 -4.670 11.096 203 HA SER 25 HA SER 25 -5.593 -6.393 9.143 204 HB2 SER 25 HB2 SER 25 -3.406 -6.164 10.112 205 HB3 SER 25 HB3 SER 25 -4.249 -4.632 10.343 206 HG SER 25 HG SER 25 -3.634 -6.628 12.229 207 H ASP 26 H ASP 26 -5.894 -7.034 12.629 208 HA ASP 26 HA ASP 26 -5.278 -9.846 12.206 209 HB2 ASP 26 HB2 ASP 26 -5.707 -8.139 14.646 210 HB3 ASP 26 HB3 ASP 26 -5.676 -9.897 14.759 211 H ALA 27 H ALA 27 -8.014 -7.785 12.647 212 HA ALA 27 HA ALA 27 -9.897 -9.564 13.675 213 HB1 ALA 27 HB1 ALA 27 -10.018 -6.999 13.090 214 HB2 ALA 27 HB2 ALA 27 -10.743 -7.607 11.600 215 HB3 ALA 27 HB3 ALA 27 -11.475 -7.992 13.158 216 H ILE 28 H ILE 28 -8.437 -9.418 10.554 217 HA ILE 28 HA ILE 28 -10.364 -10.637 8.957 218 HB ILE 28 HB ILE 28 -8.587 -11.284 7.469 219 HG12 ILE 28 HG12 ILE 28 -6.703 -10.660 9.754 220 HG13 ILE 28 HG13 ILE 28 -7.073 -12.267 9.139 221 HG21 ILE 28 HG21 ILE 28 -7.195 -8.908 8.093 222 HG22 ILE 28 HG22 ILE 28 -8.470 -9.144 6.900 223 HG23 ILE 28 HG23 ILE 28 -8.881 -8.661 8.545 224 HD11 ILE 28 HD11 ILE 28 -6.200 -11.361 6.893 225 HD12 ILE 28 HD12 ILE 28 -5.473 -10.088 7.874 226 HD13 ILE 28 HD13 ILE 28 -5.043 -11.775 8.157 227 H PHE 29 H PHE 29 -8.209 -11.994 11.342 228 HA PHE 29 HA PHE 29 -8.953 -14.718 10.585 229 HB2 PHE 29 HB2 PHE 29 -6.556 -14.019 11.154 230 HB3 PHE 29 HB3 PHE 29 -7.097 -13.937 12.827 231 HD1 PHE 29 HD1 PHE 29 -6.425 -16.150 9.988 232 HD2 PHE 29 HD2 PHE 29 -7.581 -15.927 14.078 233 HE1 PHE 29 HE1 PHE 29 -6.031 -18.567 10.227 234 HE2 PHE 29 HE2 PHE 29 -7.188 -18.343 14.324 235 HZ PHE 29 HZ PHE 29 -6.411 -19.667 12.398 236 H LYS 30 H LYS 30 -10.041 -12.282 12.583 237 HA LYS 30 HA LYS 30 -10.713 -13.497 14.974 238 HB2 LYS 30 HB2 LYS 30 -11.037 -11.104 14.520 239 HB3 LYS 30 HB3 LYS 30 -12.343 -11.489 13.407 240 HG2 LYS 30 HG2 LYS 30 -13.760 -12.192 15.134 241 HG3 LYS 30 HG3 LYS 30 -12.431 -12.311 16.289 242 HD2 LYS 30 HD2 LYS 30 -13.074 -9.674 15.040 243 HD3 LYS 30 HD3 LYS 30 -14.064 -10.274 16.373 244 HE2 LYS 30 HE2 LYS 30 -11.062 -10.060 16.493 245 HE3 LYS 30 HE3 LYS 30 -12.149 -8.781 17.032 246 HZ1 LYS 30 HZ1 LYS 30 -11.913 -9.867 18.980 247 HZ2 LYS 30 HZ2 LYS 30 -11.560 -11.355 18.258 248 HZ3 LYS 30 HZ3 LYS 30 -13.163 -10.824 18.361 249 H GLN 31 H GLN 31 -12.120 -13.903 11.817 250 HA GLN 31 HA GLN 31 -14.592 -15.009 12.523 251 HB2 GLN 31 HB2 GLN 31 -12.830 -15.151 10.121 252 HB3 GLN 31 HB3 GLN 31 -14.165 -16.290 10.240 253 HG2 GLN 31 HG2 GLN 31 -14.386 -13.289 10.336 254 HG3 GLN 31 HG3 GLN 31 -14.790 -14.320 8.964 255 HE21 GLN 31 HE21 GLN 31 -16.186 -16.329 10.009 256 HE22 GLN 31 HE22 GLN 31 -17.621 -15.761 10.786 257 H SER 32 H SER 32 -11.389 -16.426 12.324 258 HA SER 32 HA SER 32 -12.371 -19.118 12.721 259 HB2 SER 32 HB2 SER 32 -9.590 -17.944 12.581 260 HB3 SER 32 HB3 SER 32 -9.898 -19.653 12.887 261 HG SER 32 HG SER 32 -10.711 -18.179 10.600 262 H HIS 33 H HIS 33 -10.435 -16.786 14.588 263 HA HIS 33 HA HIS 33 -10.110 -18.291 16.900 264 HB2 HIS 33 HB2 HIS 33 -9.182 -15.929 16.195 265 HB3 HIS 33 HB3 HIS 33 -10.571 -15.342 17.106 266 HD1 HIS 33 HD1 HIS 33 -7.168 -15.819 17.602 267 HD2 HIS 33 HD2 HIS 33 -10.517 -16.914 19.803 268 HE1 HIS 33 HE1 HIS 33 -6.338 -16.198 19.946 Start of MODEL 7 1 H1 ASN 1 H ASN 1 2.754 -4.316 0.245 2 HA ASN 1 HA ASN 1 1.489 -2.007 0.334 3 HB2 ASN 1 HB2 ASN 1 2.111 -1.640 -2.138 4 HB3 ASN 1 HB3 ASN 1 3.408 -2.055 -1.022 5 HD21 ASN 1 HD21 ASN 1 4.693 -3.666 -1.566 6 HD22 ASN 1 HD22 ASN 1 4.362 -4.863 -2.767 7 H VAL 2 H VAL 2 -0.594 -3.899 0.491 8 HA VAL 2 HA VAL 2 -2.175 -3.953 -1.867 9 HB VAL 2 HB VAL 2 -2.534 -5.600 -0.126 10 HG11 VAL 2 HG11 VAL 2 -3.976 -3.955 1.766 11 HG12 VAL 2 HG12 VAL 2 -2.676 -5.115 2.043 12 HG13 VAL 2 HG13 VAL 2 -2.294 -3.447 1.615 13 HG21 VAL 2 HG21 VAL 2 -4.425 -4.819 -1.605 14 HG22 VAL 2 HG22 VAL 2 -4.905 -5.617 -0.107 15 HG23 VAL 2 HG23 VAL 2 -4.988 -3.861 -0.236 16 H ASP 3 H ASP 3 -3.610 -2.535 -2.659 17 HA ASP 3 HA ASP 3 -3.851 0.046 -1.333 18 HB2 ASP 3 HB2 ASP 3 -5.085 -0.646 -3.985 19 HB3 ASP 3 HB3 ASP 3 -4.531 0.921 -3.400 20 H VAL 4 H VAL 4 -6.213 1.037 -2.014 21 HA VAL 4 HA VAL 4 -8.089 -0.635 -0.509 22 HB VAL 4 HB VAL 4 -7.615 1.773 0.153 23 HG11 VAL 4 HG11 VAL 4 -8.179 3.520 -1.156 24 HG12 VAL 4 HG12 VAL 4 -8.004 2.340 -2.457 25 HG13 VAL 4 HG13 VAL 4 -9.602 2.708 -1.808 26 HG21 VAL 4 HG21 VAL 4 -9.444 1.169 1.300 27 HG22 VAL 4 HG22 VAL 4 -10.320 2.145 0.121 28 HG23 VAL 4 HG23 VAL 4 -10.188 0.401 -0.103 29 H ARG 5 H ARG 5 -7.397 -0.966 -3.409 30 HA ARG 5 HA ARG 5 -10.158 -0.979 -4.392 31 HB2 ARG 5 HB2 ARG 5 -7.786 0.293 -5.708 32 HB3 ARG 5 HB3 ARG 5 -9.060 -0.404 -6.700 33 HG2 ARG 5 HG2 ARG 5 -10.666 1.038 -5.335 34 HG3 ARG 5 HG3 ARG 5 -9.224 1.896 -4.788 35 HD2 ARG 5 HD2 ARG 5 -9.676 1.444 -7.708 36 HD3 ARG 5 HD3 ARG 5 -10.535 2.741 -6.877 37 HE ARG 5 HE ARG 5 -7.764 2.855 -6.306 38 HH11 ARG 5 HH11 ARG 5 -10.079 3.511 -8.822 39 HH12 ARG 5 HH12 ARG 5 -9.122 4.752 -9.559 40 HH21 ARG 5 HH21 ARG 5 -6.494 4.488 -7.267 41 HH22 ARG 5 HH22 ARG 5 -7.082 5.306 -8.674 42 H TYR 6 H TYR 6 -10.544 -3.097 -4.545 43 HA TYR 6 HA TYR 6 -8.780 -4.700 -6.236 44 HB2 TYR 6 HB2 TYR 6 -8.908 -6.598 -4.624 45 HB3 TYR 6 HB3 TYR 6 -7.994 -5.223 -4.015 46 HD1 TYR 6 HD1 TYR 6 -8.589 -4.187 -1.992 47 HD2 TYR 6 HD2 TYR 6 -11.305 -6.892 -3.839 48 HE1 TYR 6 HE1 TYR 6 -10.002 -4.134 0.021 49 HE2 TYR 6 HE2 TYR 6 -12.726 -6.844 -1.832 50 HH TYR 6 HH TYR 6 -12.653 -4.595 0.421 51 H THR 7 H THR 7 -9.823 -6.871 -6.721 52 HA THR 7 HA THR 7 -12.757 -6.664 -6.765 53 HB THR 7 HB THR 7 -12.573 -7.755 -9.107 54 HG1 THR 7 HG1 THR 7 -10.645 -7.795 -9.977 55 HG21 THR 7 HG21 THR 7 -13.555 -5.656 -9.082 56 HG22 THR 7 HG22 THR 7 -12.147 -5.386 -10.109 57 HG23 THR 7 HG23 THR 7 -12.117 -4.878 -8.421 58 H TYR 8 H TYR 8 -10.825 -8.246 -5.160 59 HA TYR 8 HA TYR 8 -12.200 -10.704 -5.168 60 HB2 TYR 8 HB2 TYR 8 -10.480 -12.219 -5.949 61 HB3 TYR 8 HB3 TYR 8 -10.844 -11.058 -7.220 62 HD1 TYR 8 HD1 TYR 8 -8.267 -12.628 -5.411 63 HD2 TYR 8 HD2 TYR 8 -9.285 -8.936 -7.266 64 HE1 TYR 8 HE1 TYR 8 -5.881 -12.049 -5.556 65 HE2 TYR 8 HE2 TYR 8 -6.902 -8.348 -7.417 66 HH TYR 8 HH TYR 8 -4.587 -10.044 -7.456 67 H ARG 9 H ARG 9 -10.431 -12.409 -4.009 68 HA ARG 9 HA ARG 9 -9.614 -10.927 -1.600 69 HB2 ARG 9 HB2 ARG 9 -10.847 -13.599 -2.032 70 HB3 ARG 9 HB3 ARG 9 -9.704 -13.444 -0.704 71 HG2 ARG 9 HG2 ARG 9 -11.030 -11.665 0.269 72 HG3 ARG 9 HG3 ARG 9 -12.151 -11.733 -1.092 73 HD2 ARG 9 HD2 ARG 9 -11.590 -14.057 0.740 74 HD3 ARG 9 HD3 ARG 9 -12.920 -12.924 0.974 75 HE ARG 9 HE ARG 9 -13.242 -13.798 -1.581 76 HH11 ARG 9 HH11 ARG 9 -12.934 -15.367 1.511 77 HH12 ARG 9 HH12 ARG 9 -13.909 -16.728 1.065 78 HH21 ARG 9 HH21 ARG 9 -14.528 -15.584 -2.181 79 HH22 ARG 9 HH22 ARG 9 -14.815 -16.851 -1.036 80 HA PRO 10 HA PRO 10 -5.646 -12.331 -3.456 81 HB2 PRO 10 HB2 PRO 10 -4.248 -10.157 -2.626 82 HB3 PRO 10 HB3 PRO 10 -5.191 -10.180 -4.121 83 HG2 PRO 10 HG2 PRO 10 -5.914 -9.058 -1.441 84 HG3 PRO 10 HG3 PRO 10 -6.169 -8.361 -3.052 85 HD2 PRO 10 HD2 PRO 10 -8.140 -9.609 -1.676 86 HD3 PRO 10 HD3 PRO 10 -8.043 -9.643 -3.448 87 H SER 11 H SER 11 -3.569 -12.759 -2.405 88 HA SER 11 HA SER 11 -3.965 -13.510 0.385 89 HB2 SER 11 HB2 SER 11 -2.920 -14.941 -1.620 90 HB3 SER 11 HB3 SER 11 -1.440 -14.175 -1.044 91 HG SER 11 HG SER 11 -1.646 -15.175 0.871 92 H VAL 12 H VAL 12 -3.755 -10.803 0.137 93 HA VAL 12 HA VAL 12 -1.079 -9.856 0.433 94 HB VAL 12 HB VAL 12 -2.176 -7.755 1.255 95 HG11 VAL 12 HG11 VAL 12 -1.682 -7.911 -1.062 96 HG12 VAL 12 HG12 VAL 12 -3.061 -8.974 -1.353 97 HG13 VAL 12 HG13 VAL 12 -3.323 -7.280 -0.935 98 HG21 VAL 12 HG21 VAL 12 -4.367 -7.611 1.737 99 HG22 VAL 12 HG22 VAL 12 -4.834 -8.671 0.407 100 HG23 VAL 12 HG23 VAL 12 -4.262 -9.362 1.925 101 HA PRO 13 HA PRO 13 -0.301 -10.596 4.691 102 HB2 PRO 13 HB2 PRO 13 1.207 -8.430 5.326 103 HB3 PRO 13 HB3 PRO 13 1.807 -9.757 4.325 104 HG2 PRO 13 HG2 PRO 13 0.741 -7.087 3.490 105 HG3 PRO 13 HG3 PRO 13 2.152 -7.970 2.877 106 HD2 PRO 13 HD2 PRO 13 -0.223 -7.933 1.576 107 HD3 PRO 13 HD3 PRO 13 0.871 -9.331 1.529 108 H ALA 14 H ALA 14 -0.575 -9.701 6.873 109 HA ALA 14 HA ALA 14 -3.089 -8.461 7.198 110 HB1 ALA 14 HB1 ALA 14 -0.904 -8.798 9.249 111 HB2 ALA 14 HB2 ALA 14 -2.611 -8.494 9.572 112 HB3 ALA 14 HB3 ALA 14 -2.111 -10.016 8.835 113 H HIS 15 H HIS 15 0.144 -7.211 6.980 114 HA HIS 15 HA HIS 15 -0.922 -4.497 7.391 115 HB2 HIS 15 HB2 HIS 15 1.886 -5.332 8.119 116 HB3 HIS 15 HB3 HIS 15 1.077 -3.816 8.506 117 HD1 HIS 15 HD1 HIS 15 -1.582 -5.118 9.584 118 HD2 HIS 15 HD2 HIS 15 2.272 -6.189 10.705 119 HE1 HIS 15 HE1 HIS 15 -1.812 -6.182 11.851 120 H ARG 16 H ARG 16 -0.100 -2.875 6.061 121 HA ARG 16 HA ARG 16 1.491 -3.832 3.771 122 HB2 ARG 16 HB2 ARG 16 0.297 -1.992 2.487 123 HB3 ARG 16 HB3 ARG 16 -0.674 -3.388 2.933 124 HG2 ARG 16 HG2 ARG 16 -1.952 -2.210 4.397 125 HG3 ARG 16 HG3 ARG 16 -0.653 -1.083 4.795 126 HD2 ARG 16 HD2 ARG 16 -0.992 -0.388 2.259 127 HD3 ARG 16 HD3 ARG 16 -2.607 -1.030 2.557 128 HE ARG 16 HE ARG 16 -1.754 0.803 4.582 129 HH11 ARG 16 HH11 ARG 16 -3.149 0.547 1.402 130 HH12 ARG 16 HH12 ARG 16 -3.956 2.078 1.491 131 HH21 ARG 16 HH21 ARG 16 -2.811 2.821 4.710 132 HH22 ARG 16 HH22 ARG 16 -3.762 3.371 3.372 133 H ARG 17 H ARG 17 2.695 -2.824 6.092 134 HA ARG 17 HA ARG 17 4.202 -0.649 4.961 135 HB2 ARG 17 HB2 ARG 17 2.147 -0.167 6.993 136 HB3 ARG 17 HB3 ARG 17 3.732 0.451 7.438 137 HG2 ARG 17 HG2 ARG 17 2.288 1.083 4.872 138 HG3 ARG 17 HG3 ARG 17 2.339 2.122 6.298 139 HD2 ARG 17 HD2 ARG 17 4.984 1.269 5.459 140 HD3 ARG 17 HD3 ARG 17 4.125 2.130 4.182 141 HE ARG 17 HE ARG 17 5.211 3.249 6.565 142 HH11 ARG 17 HH11 ARG 17 2.607 3.548 4.274 143 HH12 ARG 17 HH12 ARG 17 2.371 5.240 4.565 144 HH21 ARG 17 HH21 ARG 17 4.910 5.476 6.958 145 HH22 ARG 17 HH22 ARG 17 3.683 6.335 6.091 146 H VAL 18 H VAL 18 5.790 0.164 6.848 147 HA VAL 18 HA VAL 18 7.175 -2.238 7.691 148 HB VAL 18 HB VAL 18 8.396 -0.328 6.665 149 HG11 VAL 18 HG11 VAL 18 6.991 1.399 7.892 150 HG12 VAL 18 HG12 VAL 18 8.028 1.096 9.287 151 HG13 VAL 18 HG13 VAL 18 8.722 1.715 7.788 152 HG21 VAL 18 HG21 VAL 18 10.258 -0.933 7.759 153 HG22 VAL 18 HG22 VAL 18 9.621 -0.426 9.324 154 HG23 VAL 18 HG23 VAL 18 9.190 -2.005 8.666 155 H ARG 19 H ARG 19 5.207 0.243 9.086 156 HA ARG 19 HA ARG 19 5.322 -1.115 11.657 157 HB2 ARG 19 HB2 ARG 19 5.563 1.110 12.837 158 HB3 ARG 19 HB3 ARG 19 7.010 0.508 12.040 159 HG2 ARG 19 HG2 ARG 19 6.426 1.984 10.092 160 HG3 ARG 19 HG3 ARG 19 5.174 2.698 11.111 161 HD2 ARG 19 HD2 ARG 19 6.686 3.736 12.479 162 HD3 ARG 19 HD3 ARG 19 7.934 2.523 12.198 163 HE ARG 19 HE ARG 19 7.732 3.729 9.798 164 HH11 ARG 19 HH11 ARG 19 8.119 4.954 13.033 165 HH12 ARG 19 HH12 ARG 19 9.005 6.358 12.536 166 HH21 ARG 19 HH21 ARG 19 8.898 5.573 9.130 167 HH22 ARG 19 HH22 ARG 19 9.447 6.709 10.315 168 H GLU 20 H GLU 20 3.180 -1.660 10.735 169 HA GLU 20 HA GLU 20 1.221 0.400 11.476 170 HB2 GLU 20 HB2 GLU 20 1.603 -0.030 8.913 171 HB3 GLU 20 HB3 GLU 20 0.631 -1.465 9.211 172 HG2 GLU 20 HG2 GLU 20 -1.079 0.110 10.247 173 HG3 GLU 20 HG3 GLU 20 -0.153 1.413 9.504 174 H SER 21 H SER 21 -0.759 -0.378 12.293 175 HA SER 21 HA SER 21 -1.355 -3.146 12.529 176 HB2 SER 21 HB2 SER 21 0.056 -1.788 14.798 177 HB3 SER 21 HB3 SER 21 -1.163 -3.013 15.148 178 HG SER 21 HG SER 21 0.033 -4.503 13.994 179 HA PRO 22 HA PRO 22 -4.797 -0.078 13.164 180 HB2 PRO 22 HB2 PRO 22 -6.387 -1.094 11.212 181 HB3 PRO 22 HB3 PRO 22 -5.151 0.132 10.904 182 HG2 PRO 22 HG2 PRO 22 -5.030 -2.829 10.478 183 HG3 PRO 22 HG3 PRO 22 -4.459 -1.523 9.423 184 HD2 PRO 22 HD2 PRO 22 -2.793 -2.939 11.020 185 HD3 PRO 22 HD3 PRO 22 -2.516 -1.230 10.627 186 H LEU 23 H LEU 23 -7.311 -0.876 13.051 187 HA LEU 23 HA LEU 23 -7.470 -2.896 15.109 188 HB2 LEU 23 HB2 LEU 23 -9.456 -1.069 13.802 189 HB3 LEU 23 HB3 LEU 23 -9.973 -2.364 14.878 190 HG LEU 23 HG LEU 23 -9.915 -0.311 16.110 191 HD11 LEU 23 HD11 LEU 23 -8.747 -2.589 16.932 192 HD12 LEU 23 HD12 LEU 23 -8.923 -1.158 17.947 193 HD13 LEU 23 HD13 LEU 23 -7.398 -1.467 17.116 194 HD21 LEU 23 HD21 LEU 23 -7.044 0.165 15.980 195 HD22 LEU 23 HD22 LEU 23 -8.389 1.300 15.858 196 HD23 LEU 23 HD23 LEU 23 -7.859 0.403 14.434 197 H SER 24 H SER 24 -8.794 -2.465 11.834 198 HA SER 24 HA SER 24 -10.187 -4.833 11.591 199 HB2 SER 24 HB2 SER 24 -9.709 -4.632 9.121 200 HB3 SER 24 HB3 SER 24 -10.360 -3.172 9.866 201 HG SER 24 HG SER 24 -8.060 -3.483 8.551 202 H SER 25 H SER 25 -6.747 -4.284 11.477 203 HA SER 25 HA SER 25 -5.830 -6.554 10.205 204 HB2 SER 25 HB2 SER 25 -3.755 -6.241 11.376 205 HB3 SER 25 HB3 SER 25 -4.433 -4.642 11.070 206 HG SER 25 HG SER 25 -3.608 -5.286 13.306 207 H ASP 26 H ASP 26 -6.938 -6.176 13.531 208 HA ASP 26 HA ASP 26 -6.310 -8.914 14.212 209 HB2 ASP 26 HB2 ASP 26 -7.470 -6.567 15.650 210 HB3 ASP 26 HB3 ASP 26 -7.772 -8.178 16.294 211 H ALA 27 H ALA 27 -8.962 -7.178 12.889 212 HA ALA 27 HA ALA 27 -11.135 -8.727 13.698 213 HB1 ALA 27 HB1 ALA 27 -11.036 -7.663 10.917 214 HB2 ALA 27 HB2 ALA 27 -12.354 -7.635 12.090 215 HB3 ALA 27 HB3 ALA 27 -10.988 -6.533 12.271 216 H ILE 28 H ILE 28 -8.562 -9.457 11.526 217 HA ILE 28 HA ILE 28 -9.731 -11.348 9.852 218 HB ILE 28 HB ILE 28 -7.529 -12.245 9.481 219 HG12 ILE 28 HG12 ILE 28 -6.691 -10.699 11.945 220 HG13 ILE 28 HG13 ILE 28 -6.833 -12.449 11.831 221 HG21 ILE 28 HG21 ILE 28 -6.430 -9.653 9.730 222 HG22 ILE 28 HG22 ILE 28 -7.122 -10.414 8.298 223 HG23 ILE 28 HG23 ILE 28 -8.147 -9.467 9.375 224 HD11 ILE 28 HD11 ILE 28 -5.131 -12.084 9.841 225 HD12 ILE 28 HD12 ILE 28 -4.745 -10.639 10.776 226 HD13 ILE 28 HD13 ILE 28 -4.601 -12.233 11.516 227 H PHE 29 H PHE 29 -8.743 -11.583 13.189 228 HA PHE 29 HA PHE 29 -9.206 -14.469 13.210 229 HB2 PHE 29 HB2 PHE 29 -7.234 -13.237 14.392 230 HB3 PHE 29 HB3 PHE 29 -8.433 -12.867 15.626 231 HD1 PHE 29 HD1 PHE 29 -6.466 -15.499 14.034 232 HD2 PHE 29 HD2 PHE 29 -9.358 -14.606 17.027 233 HE1 PHE 29 HE1 PHE 29 -6.093 -17.709 15.050 234 HE2 PHE 29 HE2 PHE 29 -8.988 -16.814 18.047 235 HZ PHE 29 HZ PHE 29 -7.354 -18.368 17.060 236 H LYS 30 H LYS 30 -10.927 -11.650 13.648 237 HA LYS 30 HA LYS 30 -12.532 -12.080 15.863 238 HB2 LYS 30 HB2 LYS 30 -12.493 -10.042 14.376 239 HB3 LYS 30 HB3 LYS 30 -13.496 -10.935 13.240 240 HG2 LYS 30 HG2 LYS 30 -14.438 -10.778 16.042 241 HG3 LYS 30 HG3 LYS 30 -14.507 -9.303 15.074 242 HD2 LYS 30 HD2 LYS 30 -15.550 -11.853 13.924 243 HD3 LYS 30 HD3 LYS 30 -16.526 -10.979 15.108 244 HE2 LYS 30 HE2 LYS 30 -15.353 -9.597 12.716 245 HE3 LYS 30 HE3 LYS 30 -16.883 -10.466 12.614 246 HZ1 LYS 30 HZ1 LYS 30 -17.681 -8.452 13.190 247 HZ2 LYS 30 HZ2 LYS 30 -16.257 -7.963 13.960 248 HZ3 LYS 30 HZ3 LYS 30 -17.340 -8.990 14.757 249 H GLN 31 H GLN 31 -12.579 -13.637 12.751 250 HA GLN 31 HA GLN 31 -15.169 -14.713 12.805 251 HB2 GLN 31 HB2 GLN 31 -14.309 -16.370 11.194 252 HB3 GLN 31 HB3 GLN 31 -13.823 -14.731 10.783 253 HG2 GLN 31 HG2 GLN 31 -11.855 -15.816 10.454 254 HG3 GLN 31 HG3 GLN 31 -11.675 -15.380 12.152 255 HE21 GLN 31 HE21 GLN 31 -10.108 -17.171 12.048 256 HE22 GLN 31 HE22 GLN 31 -10.684 -18.777 12.318 257 H SER 32 H SER 32 -12.164 -15.778 14.270 258 HA SER 32 HA SER 32 -12.881 -18.385 14.961 259 HB2 SER 32 HB2 SER 32 -11.217 -16.738 16.828 260 HB3 SER 32 HB3 SER 32 -10.992 -18.408 16.307 261 HG SER 32 HG SER 32 -10.456 -17.540 14.213 262 H HIS 33 H HIS 33 -13.329 -15.349 16.740 263 HA HIS 33 HA HIS 33 -14.591 -16.586 18.981 264 HB2 HIS 33 HB2 HIS 33 -13.456 -14.440 19.216 265 HB3 HIS 33 HB3 HIS 33 -14.574 -13.700 18.074 266 HD1 HIS 33 HD1 HIS 33 -15.596 -12.024 19.672 267 HD2 HIS 33 HD2 HIS 33 -15.814 -15.934 21.058 268 HE1 HIS 33 HE1 HIS 33 -17.109 -11.942 21.679 Start of MODEL 8 1 H1 ASN 1 H ASN 1 4.321 -3.555 1.129 2 HA ASN 1 HA ASN 1 1.966 -1.960 1.843 3 HB2 ASN 1 HB2 ASN 1 4.070 -0.552 1.301 4 HB3 ASN 1 HB3 ASN 1 3.804 -1.062 -0.363 5 HD21 ASN 1 HD21 ASN 1 1.543 -0.704 -1.173 6 HD22 ASN 1 HD22 ASN 1 0.784 0.785 -0.734 7 H VAL 2 H VAL 2 0.221 -2.433 0.659 8 HA VAL 2 HA VAL 2 0.453 -4.437 -1.420 9 HB VAL 2 HB VAL 2 -1.336 -4.557 0.304 10 HG11 VAL 2 HG11 VAL 2 -3.190 -3.071 0.290 11 HG12 VAL 2 HG12 VAL 2 -1.736 -2.073 0.332 12 HG13 VAL 2 HG13 VAL 2 -2.625 -2.275 -1.178 13 HG21 VAL 2 HG21 VAL 2 -2.265 -4.317 -2.556 14 HG22 VAL 2 HG22 VAL 2 -1.588 -5.754 -1.790 15 HG23 VAL 2 HG23 VAL 2 -3.150 -5.127 -1.263 16 H ASP 3 H ASP 3 -0.002 -4.177 -3.563 17 HA ASP 3 HA ASP 3 0.092 -1.467 -4.578 18 HB2 ASP 3 HB2 ASP 3 0.101 -4.147 -5.979 19 HB3 ASP 3 HB3 ASP 3 0.238 -2.597 -6.805 20 H VAL 4 H VAL 4 -1.309 -1.292 -6.769 21 HA VAL 4 HA VAL 4 -4.073 -1.454 -5.847 22 HB VAL 4 HB VAL 4 -4.608 0.053 -7.684 23 HG11 VAL 4 HG11 VAL 4 -2.536 0.677 -5.690 24 HG12 VAL 4 HG12 VAL 4 -2.699 1.840 -7.007 25 HG13 VAL 4 HG13 VAL 4 -4.090 1.451 -5.995 26 HG21 VAL 4 HG21 VAL 4 -3.313 -0.368 -9.506 27 HG22 VAL 4 HG22 VAL 4 -2.408 0.995 -8.847 28 HG23 VAL 4 HG23 VAL 4 -1.861 -0.654 -8.547 29 H ARG 5 H ARG 5 -2.313 -3.683 -7.088 30 HA ARG 5 HA ARG 5 -4.331 -4.560 -9.045 31 HB2 ARG 5 HB2 ARG 5 -2.189 -3.954 -10.141 32 HB3 ARG 5 HB3 ARG 5 -1.368 -5.150 -9.147 33 HG2 ARG 5 HG2 ARG 5 -1.674 -6.301 -11.108 34 HG3 ARG 5 HG3 ARG 5 -3.091 -6.800 -10.181 35 HD2 ARG 5 HD2 ARG 5 -3.211 -4.425 -12.002 36 HD3 ARG 5 HD3 ARG 5 -3.388 -6.058 -12.643 37 HE ARG 5 HE ARG 5 -5.137 -5.832 -10.502 38 HH11 ARG 5 HH11 ARG 5 -4.669 -4.374 -13.629 39 HH12 ARG 5 HH12 ARG 5 -6.351 -4.031 -13.865 40 HH21 ARG 5 HH21 ARG 5 -7.354 -5.385 -10.802 41 HH22 ARG 5 HH22 ARG 5 -7.877 -4.606 -12.256 42 H TYR 6 H TYR 6 -5.469 -6.128 -8.117 43 HA TYR 6 HA TYR 6 -4.054 -8.083 -6.429 44 HB2 TYR 6 HB2 TYR 6 -6.321 -8.553 -5.457 45 HB3 TYR 6 HB3 TYR 6 -5.716 -6.930 -5.141 46 HD1 TYR 6 HD1 TYR 6 -6.886 -5.014 -5.913 47 HD2 TYR 6 HD2 TYR 6 -8.086 -8.890 -7.194 48 HE1 TYR 6 HE1 TYR 6 -8.947 -4.058 -6.855 49 HE2 TYR 6 HE2 TYR 6 -10.150 -7.945 -8.141 50 HH TYR 6 HH TYR 6 -10.616 -4.621 -8.583 51 H THR 7 H THR 7 -5.243 -10.270 -6.395 52 HA THR 7 HA THR 7 -6.195 -10.980 -9.084 53 HB THR 7 HB THR 7 -3.809 -11.584 -8.942 54 HG1 THR 7 HG1 THR 7 -4.123 -13.654 -9.711 55 HG21 THR 7 HG21 THR 7 -3.785 -11.947 -6.470 56 HG22 THR 7 HG22 THR 7 -3.012 -13.238 -7.391 57 HG23 THR 7 HG23 THR 7 -4.632 -13.471 -6.735 58 H TYR 8 H TYR 8 -7.484 -10.586 -6.421 59 HA TYR 8 HA TYR 8 -9.292 -12.743 -6.531 60 HB2 TYR 8 HB2 TYR 8 -8.807 -13.889 -4.454 61 HB3 TYR 8 HB3 TYR 8 -7.384 -13.944 -5.487 62 HD1 TYR 8 HD1 TYR 8 -8.555 -13.267 -2.240 63 HD2 TYR 8 HD2 TYR 8 -5.635 -12.019 -5.072 64 HE1 TYR 8 HE1 TYR 8 -7.206 -12.311 -0.419 65 HE2 TYR 8 HE2 TYR 8 -4.278 -11.061 -3.259 66 HH TYR 8 HH TYR 8 -4.042 -10.840 -1.054 67 H ARG 9 H ARG 9 -10.359 -12.786 -4.032 68 HA ARG 9 HA ARG 9 -11.099 -9.968 -3.614 69 HB2 ARG 9 HB2 ARG 9 -12.649 -12.529 -3.370 70 HB3 ARG 9 HB3 ARG 9 -13.167 -11.085 -2.510 71 HG2 ARG 9 HG2 ARG 9 -13.158 -9.896 -4.730 72 HG3 ARG 9 HG3 ARG 9 -12.930 -11.478 -5.479 73 HD2 ARG 9 HD2 ARG 9 -15.013 -12.263 -4.666 74 HD3 ARG 9 HD3 ARG 9 -15.188 -10.882 -3.584 75 HE ARG 9 HE ARG 9 -15.030 -9.954 -6.227 76 HH11 ARG 9 HH11 ARG 9 -17.176 -11.725 -4.134 77 HH12 ARG 9 HH12 ARG 9 -18.611 -11.223 -4.965 78 HH21 ARG 9 HH21 ARG 9 -16.912 -9.287 -7.329 79 HH22 ARG 9 HH22 ARG 9 -18.460 -9.837 -6.783 80 HA PRO 10 HA PRO 10 -8.854 -11.124 0.232 81 HB2 PRO 10 HB2 PRO 10 -7.806 -8.649 0.613 82 HB3 PRO 10 HB3 PRO 10 -7.055 -9.859 -0.433 83 HG2 PRO 10 HG2 PRO 10 -8.793 -7.536 -1.169 84 HG3 PRO 10 HG3 PRO 10 -7.310 -8.115 -1.949 85 HD2 PRO 10 HD2 PRO 10 -9.777 -8.669 -2.918 86 HD3 PRO 10 HD3 PRO 10 -8.411 -9.791 -3.085 87 H SER 11 H SER 11 -10.020 -11.166 2.038 88 HA SER 11 HA SER 11 -12.340 -9.738 2.520 89 HB2 SER 11 HB2 SER 11 -10.637 -10.594 4.831 90 HB3 SER 11 HB3 SER 11 -12.381 -10.740 4.614 91 HG SER 11 HG SER 11 -10.394 -12.476 3.939 92 H VAL 12 H VAL 12 -9.048 -9.048 3.656 93 HA VAL 12 HA VAL 12 -9.709 -6.229 3.851 94 HB VAL 12 HB VAL 12 -8.682 -6.102 6.167 95 HG11 VAL 12 HG11 VAL 12 -10.755 -6.257 7.202 96 HG12 VAL 12 HG12 VAL 12 -11.178 -6.025 5.504 97 HG13 VAL 12 HG13 VAL 12 -11.253 -7.635 6.222 98 HG21 VAL 12 HG21 VAL 12 -7.922 -8.598 5.890 99 HG22 VAL 12 HG22 VAL 12 -8.380 -7.969 7.473 100 HG23 VAL 12 HG23 VAL 12 -9.524 -8.937 6.544 101 HA PRO 13 HA PRO 13 -5.546 -5.726 2.550 102 HB2 PRO 13 HB2 PRO 13 -4.950 -3.306 3.627 103 HB3 PRO 13 HB3 PRO 13 -6.037 -3.502 2.246 104 HG2 PRO 13 HG2 PRO 13 -6.701 -3.119 5.140 105 HG3 PRO 13 HG3 PRO 13 -7.444 -2.373 3.713 106 HD2 PRO 13 HD2 PRO 13 -8.567 -4.465 5.016 107 HD3 PRO 13 HD3 PRO 13 -8.741 -4.226 3.266 108 H ALA 14 H ALA 14 -3.765 -6.690 3.278 109 HA ALA 14 HA ALA 14 -3.297 -7.490 5.883 110 HB1 ALA 14 HB1 ALA 14 -0.778 -7.404 4.931 111 HB2 ALA 14 HB2 ALA 14 -1.938 -8.669 4.526 112 HB3 ALA 14 HB3 ALA 14 -1.688 -7.316 3.422 113 H HIS 15 H HIS 15 -1.984 -4.651 4.191 114 HA HIS 15 HA HIS 15 -1.971 -3.033 6.496 115 HB2 HIS 15 HB2 HIS 15 0.444 -2.837 6.884 116 HB3 HIS 15 HB3 HIS 15 -0.114 -4.480 7.188 117 HD1 HIS 15 HD1 HIS 15 0.793 -6.334 5.682 118 HD2 HIS 15 HD2 HIS 15 2.103 -2.539 4.613 119 HE1 HIS 15 HE1 HIS 15 2.638 -6.704 4.013 120 H ARG 16 H ARG 16 -1.967 -0.966 5.861 121 HA ARG 16 HA ARG 16 -0.927 -0.360 3.171 122 HB2 ARG 16 HB2 ARG 16 -2.650 1.481 3.154 123 HB3 ARG 16 HB3 ARG 16 -3.295 -0.153 3.092 124 HG2 ARG 16 HG2 ARG 16 -4.067 -0.063 5.289 125 HG3 ARG 16 HG3 ARG 16 -3.038 1.314 5.689 126 HD2 ARG 16 HD2 ARG 16 -5.320 1.412 3.723 127 HD3 ARG 16 HD3 ARG 16 -5.452 1.879 5.418 128 HE ARG 16 HE ARG 16 -3.385 3.377 4.504 129 HH11 ARG 16 HH11 ARG 16 -6.661 2.878 3.437 130 HH12 ARG 16 HH12 ARG 16 -6.821 4.465 2.761 131 HH21 ARG 16 HH21 ARG 16 -3.583 5.469 3.618 132 HH22 ARG 16 HH22 ARG 16 -5.069 5.938 2.864 133 H ARG 17 H ARG 17 0.720 -0.249 5.431 134 HA ARG 17 HA ARG 17 1.426 2.573 5.385 135 HB2 ARG 17 HB2 ARG 17 0.497 1.110 7.803 136 HB3 ARG 17 HB3 ARG 17 1.860 2.204 7.996 137 HG2 ARG 17 HG2 ARG 17 -0.733 3.042 6.732 138 HG3 ARG 17 HG3 ARG 17 -0.417 3.168 8.464 139 HD2 ARG 17 HD2 ARG 17 1.754 4.401 7.650 140 HD3 ARG 17 HD3 ARG 17 0.800 4.665 6.191 141 HE ARG 17 HE ARG 17 -0.757 5.396 8.392 142 HH11 ARG 17 HH11 ARG 17 2.134 6.421 6.744 143 HH12 ARG 17 HH12 ARG 17 1.948 8.087 7.180 144 HH21 ARG 17 HH21 ARG 17 -1.011 7.587 8.973 145 HH22 ARG 17 HH22 ARG 17 0.160 8.749 8.450 146 H VAL 18 H VAL 18 3.557 2.867 6.690 147 HA VAL 18 HA VAL 18 5.441 0.985 5.598 148 HB VAL 18 HB VAL 18 5.935 3.391 5.614 149 HG11 VAL 18 HG11 VAL 18 6.064 4.693 7.481 150 HG12 VAL 18 HG12 VAL 18 4.847 3.537 8.025 151 HG13 VAL 18 HG13 VAL 18 6.529 3.349 8.523 152 HG21 VAL 18 HG21 VAL 18 8.055 2.740 5.536 153 HG22 VAL 18 HG22 VAL 18 8.126 2.766 7.298 154 HG23 VAL 18 HG23 VAL 18 7.658 1.288 6.456 155 H ARG 19 H ARG 19 4.121 1.744 8.755 156 HA ARG 19 HA ARG 19 5.485 -0.625 9.829 157 HB2 ARG 19 HB2 ARG 19 5.363 2.122 11.060 158 HB3 ARG 19 HB3 ARG 19 5.647 0.681 12.028 159 HG2 ARG 19 HG2 ARG 19 7.545 0.251 10.276 160 HG3 ARG 19 HG3 ARG 19 7.401 1.990 10.012 161 HD2 ARG 19 HD2 ARG 19 7.943 0.615 12.641 162 HD3 ARG 19 HD3 ARG 19 9.111 1.514 11.673 163 HE ARG 19 HE ARG 19 6.835 3.091 12.374 164 HH11 ARG 19 HH11 ARG 19 9.885 1.877 13.533 165 HH12 ARG 19 HH12 ARG 19 10.112 3.163 14.672 166 HH21 ARG 19 HH21 ARG 19 7.123 4.789 13.870 167 HH22 ARG 19 HH22 ARG 19 8.540 4.818 14.864 168 H GLU 20 H GLU 20 3.459 -1.683 9.466 169 HA GLU 20 HA GLU 20 1.590 -1.249 11.666 170 HB2 GLU 20 HB2 GLU 20 0.879 -0.101 9.414 171 HB3 GLU 20 HB3 GLU 20 0.443 -1.738 8.945 172 HG2 GLU 20 HG2 GLU 20 -1.514 -0.736 9.787 173 HG3 GLU 20 HG3 GLU 20 -0.952 -1.854 11.029 174 H SER 21 H SER 21 0.355 -3.088 12.219 175 HA SER 21 HA SER 21 0.730 -5.558 10.768 176 HB2 SER 21 HB2 SER 21 1.728 -6.767 12.678 177 HB3 SER 21 HB3 SER 21 2.790 -5.489 12.089 178 HG SER 21 HG SER 21 2.037 -5.817 14.531 179 HA PRO 22 HA PRO 22 -3.282 -5.068 13.073 180 HB2 PRO 22 HB2 PRO 22 -4.856 -5.614 10.929 181 HB3 PRO 22 HB3 PRO 22 -4.270 -3.989 11.301 182 HG2 PRO 22 HG2 PRO 22 -3.213 -5.979 9.330 183 HG3 PRO 22 HG3 PRO 22 -3.448 -4.231 9.140 184 HD2 PRO 22 HD2 PRO 22 -1.027 -5.327 9.660 185 HD3 PRO 22 HD3 PRO 22 -1.495 -3.720 10.252 186 H LEU 23 H LEU 23 -2.029 -7.151 13.817 187 HA LEU 23 HA LEU 23 -3.298 -9.542 12.678 188 HB2 LEU 23 HB2 LEU 23 -0.811 -9.088 14.278 189 HB3 LEU 23 HB3 LEU 23 -1.566 -10.679 14.240 190 HG LEU 23 HG LEU 23 0.247 -10.589 12.650 191 HD11 LEU 23 HD11 LEU 23 -2.074 -10.415 10.823 192 HD12 LEU 23 HD12 LEU 23 -2.172 -11.584 12.140 193 HD13 LEU 23 HD13 LEU 23 -0.844 -11.669 10.983 194 HD21 LEU 23 HD21 LEU 23 -0.409 -7.958 12.327 195 HD22 LEU 23 HD22 LEU 23 -1.001 -8.672 10.826 196 HD23 LEU 23 HD23 LEU 23 0.690 -8.867 11.290 197 H SER 24 H SER 24 -2.283 -8.420 15.913 198 HA SER 24 HA SER 24 -4.243 -10.054 17.216 199 HB2 SER 24 HB2 SER 24 -2.438 -7.866 18.273 200 HB3 SER 24 HB3 SER 24 -3.461 -8.888 19.283 201 HG SER 24 HG SER 24 -2.233 -10.641 17.996 202 H SER 25 H SER 25 -4.100 -6.793 16.052 203 HA SER 25 HA SER 25 -6.159 -5.672 17.624 204 HB2 SER 25 HB2 SER 25 -4.459 -4.459 16.132 205 HB3 SER 25 HB3 SER 25 -5.539 -4.840 14.792 206 HG SER 25 HG SER 25 -7.187 -3.840 16.344 207 H ASP 26 H ASP 26 -6.182 -7.278 14.467 208 HA ASP 26 HA ASP 26 -8.967 -6.924 14.013 209 HB2 ASP 26 HB2 ASP 26 -6.778 -8.507 12.758 210 HB3 ASP 26 HB3 ASP 26 -8.436 -8.999 12.424 211 H ALA 27 H ALA 27 -7.068 -9.275 15.728 212 HA ALA 27 HA ALA 27 -8.832 -11.431 15.807 213 HB1 ALA 27 HB1 ALA 27 -7.676 -12.073 17.888 214 HB2 ALA 27 HB2 ALA 27 -6.557 -11.620 16.602 215 HB3 ALA 27 HB3 ALA 27 -6.893 -10.493 17.917 216 H ILE 28 H ILE 28 -8.905 -8.385 17.485 217 HA ILE 28 HA ILE 28 -10.514 -8.938 19.660 218 HB ILE 28 HB ILE 28 -10.626 -6.475 17.915 219 HG12 ILE 28 HG12 ILE 28 -9.097 -6.841 20.488 220 HG13 ILE 28 HG13 ILE 28 -8.378 -7.168 18.915 221 HG21 ILE 28 HG21 ILE 28 -11.549 -6.932 20.748 222 HG22 ILE 28 HG22 ILE 28 -11.473 -5.363 19.949 223 HG23 ILE 28 HG23 ILE 28 -12.568 -6.607 19.346 224 HD11 ILE 28 HD11 ILE 28 -7.768 -5.037 18.912 225 HD12 ILE 28 HD12 ILE 28 -9.465 -4.653 18.621 226 HD13 ILE 28 HD13 ILE 28 -8.829 -4.650 20.266 227 H PHE 29 H PHE 29 -11.448 -8.391 16.297 228 HA PHE 29 HA PHE 29 -14.262 -8.788 16.962 229 HB2 PHE 29 HB2 PHE 29 -13.292 -7.030 15.287 230 HB3 PHE 29 HB3 PHE 29 -13.238 -8.391 14.171 231 HD1 PHE 29 HD1 PHE 29 -15.334 -5.974 15.849 232 HD2 PHE 29 HD2 PHE 29 -15.332 -9.544 13.530 233 HE1 PHE 29 HE1 PHE 29 -17.711 -5.627 15.319 234 HE2 PHE 29 HE2 PHE 29 -17.709 -9.202 12.996 235 HZ PHE 29 HZ PHE 29 -18.902 -7.241 13.890 236 H LYS 30 H LYS 30 -11.570 -10.455 15.559 237 HA LYS 30 HA LYS 30 -12.837 -12.401 14.033 238 HB2 LYS 30 HB2 LYS 30 -10.335 -11.955 14.300 239 HB3 LYS 30 HB3 LYS 30 -10.420 -12.942 15.753 240 HG2 LYS 30 HG2 LYS 30 -9.805 -14.535 14.260 241 HG3 LYS 30 HG3 LYS 30 -11.558 -14.654 14.089 242 HD2 LYS 30 HD2 LYS 30 -10.733 -14.583 11.889 243 HD3 LYS 30 HD3 LYS 30 -11.326 -12.951 12.207 244 HE2 LYS 30 HE2 LYS 30 -8.857 -12.529 12.967 245 HE3 LYS 30 HE3 LYS 30 -8.520 -13.944 11.972 246 HZ1 LYS 30 HZ1 LYS 30 -10.212 -12.017 10.677 247 HZ2 LYS 30 HZ2 LYS 30 -8.815 -12.782 10.109 248 HZ3 LYS 30 HZ3 LYS 30 -8.688 -11.397 11.071 249 H GLN 31 H GLN 31 -12.586 -12.069 17.486 250 HA GLN 31 HA GLN 31 -13.153 -14.702 18.262 251 HB2 GLN 31 HB2 GLN 31 -13.412 -12.022 19.537 252 HB3 GLN 31 HB3 GLN 31 -14.242 -13.376 20.292 253 HG2 GLN 31 HG2 GLN 31 -11.304 -13.326 19.647 254 HG3 GLN 31 HG3 GLN 31 -11.993 -12.925 21.219 255 HE21 GLN 31 HE21 GLN 31 -10.229 -15.150 20.083 256 HE22 GLN 31 HE22 GLN 31 -10.944 -16.591 20.711 257 H SER 32 H SER 32 -15.226 -12.091 17.194 258 HA SER 32 HA SER 32 -17.652 -13.514 17.889 259 HB2 SER 32 HB2 SER 32 -17.225 -10.915 17.817 260 HB3 SER 32 HB3 SER 32 -17.633 -11.103 16.112 261 HG SER 32 HG SER 32 -19.631 -11.888 16.692 262 H HIS 33 H HIS 33 -15.592 -13.077 15.135 263 HA HIS 33 HA HIS 33 -17.416 -13.776 13.099 264 HB2 HIS 33 HB2 HIS 33 -15.239 -12.703 12.658 265 HB3 HIS 33 HB3 HIS 33 -14.417 -14.174 13.170 266 HD1 HIS 33 HD1 HIS 33 -17.018 -13.211 10.557 267 HD2 HIS 33 HD2 HIS 33 -13.788 -15.770 11.088 268 HE1 HIS 33 HE1 HIS 33 -16.723 -14.387 8.354 Start of MODEL 9 1 H1 ASN 1 H ASN 1 3.294 -1.608 1.135 2 HA ASN 1 HA ASN 1 1.471 -0.393 0.252 3 HB2 ASN 1 HB2 ASN 1 4.034 0.716 -0.907 4 HB3 ASN 1 HB3 ASN 1 2.501 1.583 -0.917 5 HD21 ASN 1 HD21 ASN 1 5.321 1.030 0.758 6 HD22 ASN 1 HD22 ASN 1 4.858 1.686 2.287 7 H VAL 2 H VAL 2 1.499 -2.716 -1.239 8 HA VAL 2 HA VAL 2 1.166 -1.748 -4.004 9 HB VAL 2 HB VAL 2 1.565 -4.613 -3.140 10 HG11 VAL 2 HG11 VAL 2 0.446 -4.539 -5.225 11 HG12 VAL 2 HG12 VAL 2 1.485 -3.240 -5.817 12 HG13 VAL 2 HG13 VAL 2 2.142 -4.861 -5.586 13 HG21 VAL 2 HG21 VAL 2 3.856 -4.359 -4.050 14 HG22 VAL 2 HG22 VAL 2 3.570 -2.625 -4.201 15 HG23 VAL 2 HG23 VAL 2 3.569 -3.383 -2.609 16 H ASP 3 H ASP 3 -0.964 -0.980 -3.444 17 HA ASP 3 HA ASP 3 -3.005 -2.803 -4.110 18 HB2 ASP 3 HB2 ASP 3 -2.419 -3.335 -1.616 19 HB3 ASP 3 HB3 ASP 3 -3.331 -1.865 -1.280 20 H VAL 4 H VAL 4 -3.074 -0.917 -5.550 21 HA VAL 4 HA VAL 4 -4.779 1.196 -4.414 22 HB VAL 4 HB VAL 4 -2.629 2.218 -4.730 23 HG11 VAL 4 HG11 VAL 4 -1.195 1.480 -6.254 24 HG12 VAL 4 HG12 VAL 4 -2.444 0.434 -6.931 25 HG13 VAL 4 HG13 VAL 4 -2.244 2.077 -7.539 26 HG21 VAL 4 HG21 VAL 4 -3.907 3.204 -7.198 27 HG22 VAL 4 HG22 VAL 4 -4.922 3.193 -5.756 28 HG23 VAL 4 HG23 VAL 4 -3.398 4.079 -5.754 29 H ARG 5 H ARG 5 -6.715 1.083 -5.322 30 HA ARG 5 HA ARG 5 -8.391 0.674 -6.811 31 HB2 ARG 5 HB2 ARG 5 -6.300 1.684 -8.747 32 HB3 ARG 5 HB3 ARG 5 -8.017 1.538 -9.098 33 HG2 ARG 5 HG2 ARG 5 -8.401 3.107 -7.143 34 HG3 ARG 5 HG3 ARG 5 -6.663 3.409 -7.184 35 HD2 ARG 5 HD2 ARG 5 -7.384 5.095 -8.547 36 HD3 ARG 5 HD3 ARG 5 -7.145 3.821 -9.743 37 HE ARG 5 HE ARG 5 -9.756 3.584 -8.901 38 HH11 ARG 5 HH11 ARG 5 -7.793 6.032 -10.409 39 HH12 ARG 5 HH12 ARG 5 -9.116 6.750 -11.267 40 HH21 ARG 5 HH21 ARG 5 -11.507 4.519 -10.026 41 HH22 ARG 5 HH22 ARG 5 -11.228 5.889 -11.048 42 H TYR 6 H TYR 6 -7.423 -1.656 -6.148 43 HA TYR 6 HA TYR 6 -6.273 -3.193 -8.237 44 HB2 TYR 6 HB2 TYR 6 -6.948 -5.146 -6.834 45 HB3 TYR 6 HB3 TYR 6 -6.031 -3.928 -5.955 46 HD1 TYR 6 HD1 TYR 6 -6.989 -2.756 -4.113 47 HD2 TYR 6 HD2 TYR 6 -9.397 -5.350 -6.473 48 HE1 TYR 6 HE1 TYR 6 -8.772 -2.626 -2.424 49 HE2 TYR 6 HE2 TYR 6 -11.188 -5.226 -4.792 50 HH TYR 6 HH TYR 6 -10.869 -3.175 -1.915 51 H THR 7 H THR 7 -7.543 -5.347 -8.826 52 HA THR 7 HA THR 7 -10.322 -4.765 -9.514 53 HB THR 7 HB THR 7 -9.788 -5.710 -11.871 54 HG1 THR 7 HG1 THR 7 -7.676 -5.275 -12.564 55 HG21 THR 7 HG21 THR 7 -8.935 -2.919 -11.089 56 HG22 THR 7 HG22 THR 7 -10.577 -3.435 -11.472 57 HG23 THR 7 HG23 THR 7 -9.334 -3.449 -12.723 58 H TYR 8 H TYR 8 -8.772 -6.662 -7.773 59 HA TYR 8 HA TYR 8 -10.371 -8.945 -8.175 60 HB2 TYR 8 HB2 TYR 8 -8.722 -10.578 -8.868 61 HB3 TYR 8 HB3 TYR 8 -8.795 -9.290 -10.065 62 HD1 TYR 8 HD1 TYR 8 -6.653 -11.269 -8.096 63 HD2 TYR 8 HD2 TYR 8 -7.039 -7.358 -9.727 64 HE1 TYR 8 HE1 TYR 8 -4.223 -10.949 -7.888 65 HE2 TYR 8 HE2 TYR 8 -4.610 -7.028 -9.525 66 HH TYR 8 HH TYR 8 -2.495 -9.619 -8.344 67 H ARG 9 H ARG 9 -8.951 -10.919 -6.962 68 HA ARG 9 HA ARG 9 -8.320 -9.725 -4.347 69 HB2 ARG 9 HB2 ARG 9 -8.865 -12.075 -3.497 70 HB3 ARG 9 HB3 ARG 9 -10.210 -11.095 -4.066 71 HG2 ARG 9 HG2 ARG 9 -10.143 -12.281 -6.216 72 HG3 ARG 9 HG3 ARG 9 -8.833 -13.289 -5.599 73 HD2 ARG 9 HD2 ARG 9 -10.331 -14.052 -3.784 74 HD3 ARG 9 HD3 ARG 9 -11.637 -13.111 -4.503 75 HE ARG 9 HE ARG 9 -10.668 -14.780 -6.490 76 HH11 ARG 9 HH11 ARG 9 -12.188 -15.097 -3.374 77 HH12 ARG 9 HH12 ARG 9 -12.959 -16.601 -3.757 78 HH21 ARG 9 HH21 ARG 9 -11.676 -16.759 -7.007 79 HH22 ARG 9 HH22 ARG 9 -12.666 -17.546 -5.824 80 HA PRO 10 HA PRO 10 -4.299 -11.414 -5.811 81 HB2 PRO 10 HB2 PRO 10 -2.814 -9.478 -4.621 82 HB3 PRO 10 HB3 PRO 10 -3.547 -9.282 -6.218 83 HG2 PRO 10 HG2 PRO 10 -4.506 -8.295 -3.560 84 HG3 PRO 10 HG3 PRO 10 -4.473 -7.453 -5.120 85 HD2 PRO 10 HD2 PRO 10 -6.724 -8.576 -4.119 86 HD3 PRO 10 HD3 PRO 10 -6.395 -8.486 -5.861 87 H SER 11 H SER 11 -2.435 -12.149 -4.552 88 HA SER 11 HA SER 11 -3.277 -13.113 -1.941 89 HB2 SER 11 HB2 SER 11 -2.013 -14.404 -3.910 90 HB3 SER 11 HB3 SER 11 -0.598 -13.796 -3.051 91 HG SER 11 HG SER 11 -0.961 -15.178 -1.510 92 H VAL 12 H VAL 12 -2.950 -10.464 -1.735 93 HA VAL 12 HA VAL 12 -0.304 -9.670 -1.015 94 HB VAL 12 HB VAL 12 -1.441 -7.671 -0.016 95 HG11 VAL 12 HG11 VAL 12 -1.967 -8.499 -2.853 96 HG12 VAL 12 HG12 VAL 12 -2.400 -6.897 -2.253 97 HG13 VAL 12 HG13 VAL 12 -0.716 -7.423 -2.231 98 HG21 VAL 12 HG21 VAL 12 -3.725 -7.413 0.028 99 HG22 VAL 12 HG22 VAL 12 -3.994 -8.602 -1.246 100 HG23 VAL 12 HG23 VAL 12 -3.578 -9.134 0.383 101 HA PRO 13 HA PRO 13 -0.026 -11.051 3.144 102 HB2 PRO 13 HB2 PRO 13 1.447 -9.059 4.254 103 HB3 PRO 13 HB3 PRO 13 2.127 -10.248 3.137 104 HG2 PRO 13 HG2 PRO 13 1.220 -7.447 2.599 105 HG3 PRO 13 HG3 PRO 13 2.671 -8.284 2.017 106 HD2 PRO 13 HD2 PRO 13 0.459 -7.968 0.487 107 HD3 PRO 13 HD3 PRO 13 1.521 -9.385 0.351 108 H ALA 14 H ALA 14 -0.524 -10.473 5.393 109 HA ALA 14 HA ALA 14 -3.046 -9.402 5.734 110 HB1 ALA 14 HB1 ALA 14 -2.429 -9.234 8.164 111 HB2 ALA 14 HB2 ALA 14 -2.148 -10.809 7.422 112 HB3 ALA 14 HB3 ALA 14 -0.795 -9.715 7.707 113 H HIS 15 H HIS 15 0.075 -7.795 5.831 114 HA HIS 15 HA HIS 15 -1.326 -5.223 6.166 115 HB2 HIS 15 HB2 HIS 15 0.921 -4.405 7.064 116 HB3 HIS 15 HB3 HIS 15 -0.004 -5.480 8.108 117 HD1 HIS 15 HD1 HIS 15 0.824 -8.053 8.087 118 HD2 HIS 15 HD2 HIS 15 3.458 -5.242 6.531 119 HE1 HIS 15 HE1 HIS 15 3.069 -9.186 8.045 120 H ARG 16 H ARG 16 -1.147 -3.822 4.542 121 HA ARG 16 HA ARG 16 1.025 -4.221 2.590 122 HB2 ARG 16 HB2 ARG 16 -0.507 -3.501 0.825 123 HB3 ARG 16 HB3 ARG 16 -1.132 -4.919 1.657 124 HG2 ARG 16 HG2 ARG 16 -2.013 -2.254 2.615 125 HG3 ARG 16 HG3 ARG 16 -2.657 -2.842 1.081 126 HD2 ARG 16 HD2 ARG 16 -2.654 -4.706 3.392 127 HD3 ARG 16 HD3 ARG 16 -3.818 -3.382 3.407 128 HE ARG 16 HE ARG 16 -3.796 -4.836 0.936 129 HH11 ARG 16 HH11 ARG 16 -5.054 -4.759 4.181 130 HH12 ARG 16 HH12 ARG 16 -6.458 -5.699 3.799 131 HH21 ARG 16 HH21 ARG 16 -5.640 -6.075 0.420 132 HH22 ARG 16 HH22 ARG 16 -6.790 -6.448 1.659 133 H ARG 17 H ARG 17 1.283 -2.537 4.803 134 HA ARG 17 HA ARG 17 1.669 0.007 3.449 135 HB2 ARG 17 HB2 ARG 17 -0.249 -0.430 5.678 136 HB3 ARG 17 HB3 ARG 17 0.735 1.026 5.741 137 HG2 ARG 17 HG2 ARG 17 -0.077 1.660 3.517 138 HG3 ARG 17 HG3 ARG 17 -1.086 0.213 3.486 139 HD2 ARG 17 HD2 ARG 17 -2.526 1.021 5.096 140 HD3 ARG 17 HD3 ARG 17 -1.320 2.116 5.772 141 HE ARG 17 HE ARG 17 -1.942 2.911 3.145 142 HH11 ARG 17 HH11 ARG 17 -3.333 2.807 6.335 143 HH12 ARG 17 HH12 ARG 17 -4.361 4.177 6.074 144 HH21 ARG 17 HH21 ARG 17 -3.290 4.716 2.789 145 HH22 ARG 17 HH22 ARG 17 -4.336 5.262 4.056 146 H VAL 18 H VAL 18 2.692 1.594 5.209 147 HA VAL 18 HA VAL 18 5.052 0.206 6.155 148 HB VAL 18 HB VAL 18 5.299 2.347 4.985 149 HG11 VAL 18 HG11 VAL 18 4.369 3.949 7.272 150 HG12 VAL 18 HG12 VAL 18 4.238 4.257 5.539 151 HG13 VAL 18 HG13 VAL 18 3.102 3.163 6.331 152 HG21 VAL 18 HG21 VAL 18 6.609 1.528 7.260 153 HG22 VAL 18 HG22 VAL 18 7.141 2.807 6.167 154 HG23 VAL 18 HG23 VAL 18 6.214 3.211 7.613 155 H ARG 19 H ARG 19 2.145 1.559 7.463 156 HA ARG 19 HA ARG 19 3.082 0.868 10.165 157 HB2 ARG 19 HB2 ARG 19 1.628 3.333 9.251 158 HB3 ARG 19 HB3 ARG 19 1.477 2.763 10.907 159 HG2 ARG 19 HG2 ARG 19 4.008 2.828 11.011 160 HG3 ARG 19 HG3 ARG 19 3.943 3.721 9.490 161 HD2 ARG 19 HD2 ARG 19 2.318 5.287 10.698 162 HD3 ARG 19 HD3 ARG 19 2.876 4.516 12.182 163 HE ARG 19 HE ARG 19 5.140 5.304 10.801 164 HH11 ARG 19 HH11 ARG 19 2.348 6.813 12.231 165 HH12 ARG 19 HH12 ARG 19 3.172 8.293 12.594 166 HH21 ARG 19 HH21 ARG 19 6.236 7.248 11.273 167 HH22 ARG 19 HH22 ARG 19 5.383 8.540 12.048 168 H GLU 20 H GLU 20 2.004 -1.181 9.484 169 HA GLU 20 HA GLU 20 -0.770 -1.130 10.375 170 HB2 GLU 20 HB2 GLU 20 -0.503 -1.056 7.760 171 HB3 GLU 20 HB3 GLU 20 -0.153 -2.769 7.950 172 HG2 GLU 20 HG2 GLU 20 -2.423 -2.737 7.530 173 HG3 GLU 20 HG3 GLU 20 -2.344 -2.856 9.287 174 H SER 21 H SER 21 -0.974 -2.600 11.916 175 HA SER 21 HA SER 21 0.558 -5.103 11.701 176 HB2 SER 21 HB2 SER 21 1.371 -3.290 13.432 177 HB3 SER 21 HB3 SER 21 0.028 -3.907 14.395 178 HG SER 21 HG SER 21 2.075 -4.982 14.751 179 HA PRO 22 HA PRO 22 -3.996 -5.870 12.324 180 HB2 PRO 22 HB2 PRO 22 -4.221 -7.663 10.298 181 HB3 PRO 22 HB3 PRO 22 -4.400 -5.921 10.062 182 HG2 PRO 22 HG2 PRO 22 -2.025 -7.668 9.545 183 HG3 PRO 22 HG3 PRO 22 -2.690 -6.361 8.548 184 HD2 PRO 22 HD2 PRO 22 -0.529 -6.021 10.143 185 HD3 PRO 22 HD3 PRO 22 -1.687 -4.716 9.813 186 H LEU 23 H LEU 23 -2.607 -6.833 14.222 187 HA LEU 23 HA LEU 23 -2.430 -9.752 13.950 188 HB2 LEU 23 HB2 LEU 23 -1.169 -7.771 15.804 189 HB3 LEU 23 HB3 LEU 23 -1.289 -9.469 16.262 190 HG LEU 23 HG LEU 23 0.903 -9.011 15.365 191 HD11 LEU 23 HD11 LEU 23 -0.628 -11.096 14.677 192 HD12 LEU 23 HD12 LEU 23 1.041 -10.905 14.142 193 HD13 LEU 23 HD13 LEU 23 -0.285 -10.446 13.074 194 HD21 LEU 23 HD21 LEU 23 0.041 -8.489 12.619 195 HD22 LEU 23 HD22 LEU 23 1.327 -7.743 13.568 196 HD23 LEU 23 HD23 LEU 23 -0.338 -7.191 13.750 197 H SER 24 H SER 24 -3.332 -7.422 16.500 198 HA SER 24 HA SER 24 -5.276 -9.357 17.516 199 HB2 SER 24 HB2 SER 24 -4.395 -6.725 18.726 200 HB3 SER 24 HB3 SER 24 -5.364 -7.971 19.514 201 HG SER 24 HG SER 24 -2.717 -7.770 19.402 202 H SER 25 H SER 25 -5.709 -7.848 15.035 203 HA SER 25 HA SER 25 -7.696 -5.849 15.628 204 HB2 SER 25 HB2 SER 25 -6.094 -6.098 13.533 205 HB3 SER 25 HB3 SER 25 -7.433 -7.060 12.907 206 HG SER 25 HG SER 25 -8.256 -5.200 12.393 207 H ASP 26 H ASP 26 -7.663 -9.197 14.512 208 HA ASP 26 HA ASP 26 -10.504 -9.333 14.151 209 HB2 ASP 26 HB2 ASP 26 -8.682 -10.776 13.019 210 HB3 ASP 26 HB3 ASP 26 -8.706 -11.720 14.506 211 H ALA 27 H ALA 27 -8.286 -9.882 16.768 212 HA ALA 27 HA ALA 27 -9.778 -11.548 18.420 213 HB1 ALA 27 HB1 ALA 27 -7.466 -9.881 18.669 214 HB2 ALA 27 HB2 ALA 27 -8.488 -9.693 20.095 215 HB3 ALA 27 HB3 ALA 27 -7.928 -11.295 19.617 216 H ILE 28 H ILE 28 -10.240 -8.213 17.619 217 HA ILE 28 HA ILE 28 -11.661 -7.238 19.772 218 HB ILE 28 HB ILE 28 -12.237 -6.710 16.854 219 HG12 ILE 28 HG12 ILE 28 -10.477 -5.191 18.791 220 HG13 ILE 28 HG13 ILE 28 -9.884 -6.289 17.549 221 HG21 ILE 28 HG21 ILE 28 -12.922 -5.091 19.305 222 HG22 ILE 28 HG22 ILE 28 -13.206 -4.605 17.634 223 HG23 ILE 28 HG23 ILE 28 -14.061 -5.993 18.306 224 HD11 ILE 28 HD11 ILE 28 -11.331 -3.687 17.146 225 HD12 ILE 28 HD12 ILE 28 -9.655 -4.065 16.745 226 HD13 ILE 28 HD13 ILE 28 -10.970 -4.827 15.850 227 H PHE 29 H PHE 29 -12.770 -9.324 17.156 228 HA PHE 29 HA PHE 29 -15.474 -9.361 18.250 229 HB2 PHE 29 HB2 PHE 29 -14.862 -9.253 15.730 230 HB3 PHE 29 HB3 PHE 29 -14.556 -10.979 15.891 231 HD1 PHE 29 HD1 PHE 29 -17.014 -8.463 15.367 232 HD2 PHE 29 HD2 PHE 29 -16.452 -12.432 16.799 233 HE1 PHE 29 HE1 PHE 29 -19.414 -8.910 15.059 234 HE2 PHE 29 HE2 PHE 29 -18.851 -12.886 16.493 235 HZ PHE 29 HZ PHE 29 -20.335 -11.124 15.621 236 H LYS 30 H LYS 30 -12.601 -11.292 18.118 237 HA LYS 30 HA LYS 30 -13.635 -13.833 18.622 238 HB2 LYS 30 HB2 LYS 30 -11.221 -13.140 18.099 239 HB3 LYS 30 HB3 LYS 30 -11.064 -12.821 19.821 240 HG2 LYS 30 HG2 LYS 30 -10.217 -14.983 19.496 241 HG3 LYS 30 HG3 LYS 30 -11.823 -15.207 20.193 242 HD2 LYS 30 HD2 LYS 30 -12.738 -15.897 18.157 243 HD3 LYS 30 HD3 LYS 30 -11.406 -15.213 17.222 244 HE2 LYS 30 HE2 LYS 30 -11.216 -17.584 19.078 245 HE3 LYS 30 HE3 LYS 30 -11.307 -17.666 17.319 246 HZ1 LYS 30 HZ1 LYS 30 -9.090 -16.756 19.022 247 HZ2 LYS 30 HZ2 LYS 30 -9.240 -16.129 17.458 248 HZ3 LYS 30 HZ3 LYS 30 -9.060 -17.796 17.687 249 H GLN 31 H GLN 31 -13.282 -11.081 20.704 250 HA GLN 31 HA GLN 31 -13.435 -12.458 23.183 251 HB2 GLN 31 HB2 GLN 31 -12.665 -10.040 22.712 252 HB3 GLN 31 HB3 GLN 31 -14.376 -9.634 22.758 253 HG2 GLN 31 HG2 GLN 31 -14.536 -10.474 25.029 254 HG3 GLN 31 HG3 GLN 31 -12.838 -10.947 24.988 255 HE21 GLN 31 HE21 GLN 31 -12.302 -9.635 26.717 256 HE22 GLN 31 HE22 GLN 31 -12.231 -7.914 26.589 257 H SER 32 H SER 32 -15.797 -11.312 20.891 258 HA SER 32 HA SER 32 -18.080 -11.221 22.472 259 HB2 SER 32 HB2 SER 32 -18.088 -10.441 20.166 260 HB3 SER 32 HB3 SER 32 -17.805 -12.081 19.581 261 HG SER 32 HG SER 32 -20.095 -11.157 20.984 262 H HIS 33 H HIS 33 -16.335 -13.956 21.191 263 HA HIS 33 HA HIS 33 -18.311 -15.755 22.434 264 HB2 HIS 33 HB2 HIS 33 -18.261 -16.090 20.031 265 HB3 HIS 33 HB3 HIS 33 -16.508 -16.257 20.058 266 HD1 HIS 33 HD1 HIS 33 -19.659 -18.122 20.715 267 HD2 HIS 33 HD2 HIS 33 -15.561 -18.738 21.016 268 HE1 HIS 33 HE1 HIS 33 -19.375 -20.597 21.058 Start of MODEL 10 1 H1 ASN 1 H ASN 1 2.013 -7.182 -0.279 2 HA ASN 1 HA ASN 1 1.915 -4.402 0.614 3 HB2 ASN 1 HB2 ASN 1 4.129 -4.816 -0.526 4 HB3 ASN 1 HB3 ASN 1 3.229 -5.166 -1.998 5 HD21 ASN 1 HD21 ASN 1 4.625 -3.355 -2.733 6 HD22 ASN 1 HD22 ASN 1 4.016 -1.749 -2.545 7 H VAL 2 H VAL 2 0.022 -3.544 0.088 8 HA VAL 2 HA VAL 2 -1.946 -4.895 -1.372 9 HB VAL 2 HB VAL 2 -3.201 -2.763 -1.345 10 HG11 VAL 2 HG11 VAL 2 -3.023 -2.448 1.222 11 HG12 VAL 2 HG12 VAL 2 -3.552 -4.005 0.580 12 HG13 VAL 2 HG13 VAL 2 -1.891 -3.798 1.138 13 HG21 VAL 2 HG21 VAL 2 -1.528 -1.196 0.316 14 HG22 VAL 2 HG22 VAL 2 -0.587 -1.659 -1.102 15 HG23 VAL 2 HG23 VAL 2 -2.126 -0.820 -1.300 16 H ASP 3 H ASP 3 -3.149 -3.433 -3.182 17 HA ASP 3 HA ASP 3 -1.243 -2.445 -5.147 18 HB2 ASP 3 HB2 ASP 3 -2.280 -3.929 -6.919 19 HB3 ASP 3 HB3 ASP 3 -1.235 -4.746 -5.759 20 H VAL 4 H VAL 4 -2.416 -1.608 -7.123 21 HA VAL 4 HA VAL 4 -4.721 -0.082 -6.218 22 HB VAL 4 HB VAL 4 -3.440 0.151 -8.928 23 HG11 VAL 4 HG11 VAL 4 -4.123 2.650 -7.983 24 HG12 VAL 4 HG12 VAL 4 -5.064 1.672 -9.110 25 HG13 VAL 4 HG13 VAL 4 -5.419 1.616 -7.382 26 HG21 VAL 4 HG21 VAL 4 -2.514 1.454 -6.369 27 HG22 VAL 4 HG22 VAL 4 -1.630 0.248 -7.306 28 HG23 VAL 4 HG23 VAL 4 -1.932 1.847 -7.987 29 H ARG 5 H ARG 5 -4.514 -3.052 -7.307 30 HA ARG 5 HA ARG 5 -6.458 -2.945 -9.457 31 HB2 ARG 5 HB2 ARG 5 -5.055 -5.227 -8.067 32 HB3 ARG 5 HB3 ARG 5 -6.275 -5.467 -9.310 33 HG2 ARG 5 HG2 ARG 5 -3.704 -3.947 -9.686 34 HG3 ARG 5 HG3 ARG 5 -3.982 -5.619 -10.177 35 HD2 ARG 5 HD2 ARG 5 -5.911 -4.763 -11.560 36 HD3 ARG 5 HD3 ARG 5 -5.325 -3.136 -11.221 37 HE ARG 5 HE ARG 5 -3.620 -3.470 -12.717 38 HH11 ARG 5 HH11 ARG 5 -5.108 -6.525 -11.962 39 HH12 ARG 5 HH12 ARG 5 -4.250 -7.395 -13.190 40 HH21 ARG 5 HH21 ARG 5 -2.484 -4.604 -14.337 41 HH22 ARG 5 HH22 ARG 5 -2.756 -6.301 -14.540 42 H TYR 6 H TYR 6 -8.553 -2.774 -9.054 43 HA TYR 6 HA TYR 6 -9.625 -4.028 -6.612 44 HB2 TYR 6 HB2 TYR 6 -11.397 -2.222 -6.706 45 HB3 TYR 6 HB3 TYR 6 -9.779 -1.674 -6.283 46 HD1 TYR 6 HD1 TYR 6 -8.507 -0.265 -7.788 47 HD2 TYR 6 HD2 TYR 6 -12.388 -1.643 -8.857 48 HE1 TYR 6 HE1 TYR 6 -8.584 1.385 -9.611 49 HE2 TYR 6 HE2 TYR 6 -12.476 0.002 -10.683 50 HH TYR 6 HH TYR 6 -11.492 1.975 -11.432 51 H THR 7 H THR 7 -9.392 -5.375 -9.067 52 HA THR 7 HA THR 7 -12.163 -5.456 -10.054 53 HB THR 7 HB THR 7 -10.904 -7.015 -11.827 54 HG1 THR 7 HG1 THR 7 -8.810 -6.769 -11.760 55 HG21 THR 7 HG21 THR 7 -10.643 -4.983 -13.251 56 HG22 THR 7 HG22 THR 7 -10.978 -3.998 -11.827 57 HG23 THR 7 HG23 THR 7 -12.210 -5.094 -12.451 58 H TYR 8 H TYR 8 -10.812 -6.770 -7.621 59 HA TYR 8 HA TYR 8 -12.321 -9.148 -7.644 60 HB2 TYR 8 HB2 TYR 8 -10.578 -10.829 -7.708 61 HB3 TYR 8 HB3 TYR 8 -10.511 -9.874 -9.184 62 HD1 TYR 8 HD1 TYR 8 -8.618 -11.223 -6.543 63 HD2 TYR 8 HD2 TYR 8 -8.835 -7.844 -9.120 64 HE1 TYR 8 HE1 TYR 8 -6.238 -10.759 -6.126 65 HE2 TYR 8 HE2 TYR 8 -6.456 -7.372 -8.712 66 HH TYR 8 HH TYR 8 -4.380 -8.877 -7.980 67 H ARG 9 H ARG 9 -11.047 -10.709 -5.820 68 HA ARG 9 HA ARG 9 -10.773 -8.892 -3.519 69 HB2 ARG 9 HB2 ARG 9 -12.054 -11.551 -3.878 70 HB3 ARG 9 HB3 ARG 9 -11.280 -11.234 -2.331 71 HG2 ARG 9 HG2 ARG 9 -13.446 -10.561 -1.943 72 HG3 ARG 9 HG3 ARG 9 -12.660 -9.041 -2.375 73 HD2 ARG 9 HD2 ARG 9 -13.908 -10.682 -4.526 74 HD3 ARG 9 HD3 ARG 9 -14.952 -9.745 -3.457 75 HE ARG 9 HE ARG 9 -13.008 -7.998 -4.303 76 HH11 ARG 9 HH11 ARG 9 -15.424 -9.996 -5.816 77 HH12 ARG 9 HH12 ARG 9 -15.639 -8.937 -7.171 78 HH21 ARG 9 HH21 ARG 9 -13.281 -6.596 -6.082 79 HH22 ARG 9 HH22 ARG 9 -14.418 -7.004 -7.321 80 HA PRO 10 HA PRO 10 -6.577 -10.712 -4.023 81 HB2 PRO 10 HB2 PRO 10 -5.280 -8.483 -3.174 82 HB3 PRO 10 HB3 PRO 10 -5.804 -8.711 -4.847 83 HG2 PRO 10 HG2 PRO 10 -7.109 -7.152 -2.650 84 HG3 PRO 10 HG3 PRO 10 -6.885 -6.712 -4.354 85 HD2 PRO 10 HD2 PRO 10 -9.233 -7.655 -3.389 86 HD3 PRO 10 HD3 PRO 10 -8.684 -7.976 -5.047 87 H SER 11 H SER 11 -5.900 -11.995 -2.436 88 HA SER 11 HA SER 11 -6.678 -11.617 0.279 89 HB2 SER 11 HB2 SER 11 -5.031 -13.616 -1.211 90 HB3 SER 11 HB3 SER 11 -4.883 -13.550 0.545 91 HG SER 11 HG SER 11 -6.673 -14.855 -0.717 92 H VAL 12 H VAL 12 -5.803 -9.516 0.715 93 HA VAL 12 HA VAL 12 -2.992 -9.024 0.634 94 HB VAL 12 HB VAL 12 -3.552 -7.018 2.030 95 HG11 VAL 12 HG11 VAL 12 -3.494 -6.745 -0.329 96 HG12 VAL 12 HG12 VAL 12 -5.068 -7.521 -0.523 97 HG13 VAL 12 HG13 VAL 12 -4.953 -5.935 0.242 98 HG21 VAL 12 HG21 VAL 12 -5.459 -6.927 3.162 99 HG22 VAL 12 HG22 VAL 12 -6.375 -7.043 1.659 100 HG23 VAL 12 HG23 VAL 12 -5.910 -8.508 2.524 101 HA PRO 13 HA PRO 13 -1.646 -10.754 4.440 102 HB2 PRO 13 HB2 PRO 13 0.300 -8.998 5.147 103 HB3 PRO 13 HB3 PRO 13 0.483 -10.151 3.819 104 HG2 PRO 13 HG2 PRO 13 -0.229 -7.244 3.721 105 HG3 PRO 13 HG3 PRO 13 0.883 -8.160 2.686 106 HD2 PRO 13 HD2 PRO 13 -1.634 -7.524 1.916 107 HD3 PRO 13 HD3 PRO 13 -0.824 -9.015 1.395 108 H ALA 14 H ALA 14 -1.390 -10.317 6.759 109 HA ALA 14 HA ALA 14 -3.562 -8.873 7.815 110 HB1 ALA 14 HB1 ALA 14 -1.894 -10.807 8.762 111 HB2 ALA 14 HB2 ALA 14 -1.368 -9.397 9.683 112 HB3 ALA 14 HB3 ALA 14 -3.055 -9.907 9.739 113 H HIS 15 H HIS 15 -0.312 -7.954 7.070 114 HA HIS 15 HA HIS 15 -0.827 -5.298 8.234 115 HB2 HIS 15 HB2 HIS 15 1.912 -6.547 8.014 116 HB3 HIS 15 HB3 HIS 15 1.461 -5.081 8.880 117 HD1 HIS 15 HD1 HIS 15 2.476 -8.299 9.648 118 HD2 HIS 15 HD2 HIS 15 -0.740 -5.995 10.918 119 HE1 HIS 15 HE1 HIS 15 1.751 -9.304 11.837 120 H ARG 16 H ARG 16 -1.036 -3.839 6.682 121 HA ARG 16 HA ARG 16 0.314 -4.281 4.115 122 HB2 ARG 16 HB2 ARG 16 -1.274 -2.636 3.208 123 HB3 ARG 16 HB3 ARG 16 -2.099 -3.982 3.981 124 HG2 ARG 16 HG2 ARG 16 -2.344 -2.548 6.018 125 HG3 ARG 16 HG3 ARG 16 -1.722 -1.202 5.061 126 HD2 ARG 16 HD2 ARG 16 -3.565 -1.348 3.540 127 HD3 ARG 16 HD3 ARG 16 -4.127 -2.843 4.286 128 HE ARG 16 HE ARG 16 -4.019 -0.600 6.086 129 HH11 ARG 16 HH11 ARG 16 -5.942 -2.329 3.755 130 HH12 ARG 16 HH12 ARG 16 -7.452 -1.755 4.381 131 HH21 ARG 16 HH21 ARG 16 -6.001 0.163 6.919 132 HH22 ARG 16 HH22 ARG 16 -7.485 -0.337 6.180 133 H ARG 17 H ARG 17 1.884 -3.393 6.264 134 HA ARG 17 HA ARG 17 3.149 -1.151 5.117 135 HB2 ARG 17 HB2 ARG 17 1.063 -0.591 7.062 136 HB3 ARG 17 HB3 ARG 17 2.623 0.034 7.580 137 HG2 ARG 17 HG2 ARG 17 2.670 1.618 5.983 138 HG3 ARG 17 HG3 ARG 17 1.905 0.578 4.780 139 HD2 ARG 17 HD2 ARG 17 -0.255 1.001 5.658 140 HD3 ARG 17 HD3 ARG 17 0.407 1.752 7.109 141 HE ARG 17 HE ARG 17 -0.085 3.014 4.603 142 HH11 ARG 17 HH11 ARG 17 2.023 3.028 7.373 143 HH12 ARG 17 HH12 ARG 17 2.454 4.697 7.200 144 HH21 ARG 17 HH21 ARG 17 0.474 5.212 4.365 145 HH22 ARG 17 HH22 ARG 17 1.572 5.939 5.489 146 H VAL 18 H VAL 18 4.693 -0.138 6.976 147 HA VAL 18 HA VAL 18 6.196 -2.429 7.936 148 HB VAL 18 HB VAL 18 7.339 -0.555 6.777 149 HG11 VAL 18 HG11 VAL 18 5.781 1.097 8.209 150 HG12 VAL 18 HG12 VAL 18 7.247 1.145 9.189 151 HG13 VAL 18 HG13 VAL 18 7.310 1.592 7.484 152 HG21 VAL 18 HG21 VAL 18 9.260 -0.726 8.034 153 HG22 VAL 18 HG22 VAL 18 8.399 -0.593 9.567 154 HG23 VAL 18 HG23 VAL 18 8.331 -2.095 8.645 155 H ARG 19 H ARG 19 4.106 0.018 9.186 156 HA ARG 19 HA ARG 19 4.349 -1.137 11.847 157 HB2 ARG 19 HB2 ARG 19 4.841 1.773 11.226 158 HB3 ARG 19 HB3 ARG 19 4.395 1.210 12.831 159 HG2 ARG 19 HG2 ARG 19 6.392 -0.084 13.012 160 HG3 ARG 19 HG3 ARG 19 6.801 0.220 11.322 161 HD2 ARG 19 HD2 ARG 19 6.994 2.626 11.835 162 HD3 ARG 19 HD3 ARG 19 6.661 2.271 13.529 163 HE ARG 19 HE ARG 19 8.885 0.797 12.473 164 HH11 ARG 19 HH11 ARG 19 7.877 3.806 13.904 165 HH12 ARG 19 HH12 ARG 19 9.448 4.185 14.529 166 HH21 ARG 19 HH21 ARG 19 10.958 1.285 13.291 167 HH22 ARG 19 HH22 ARG 19 11.200 2.751 14.179 168 H GLU 20 H GLU 20 2.294 -1.429 10.000 169 HA GLU 20 HA GLU 20 0.193 0.383 10.150 170 HB2 GLU 20 HB2 GLU 20 -1.256 -1.441 9.489 171 HB3 GLU 20 HB3 GLU 20 0.267 -1.558 8.619 172 HG2 GLU 20 HG2 GLU 20 0.026 -3.728 9.216 173 HG3 GLU 20 HG3 GLU 20 0.886 -3.144 10.639 174 H SER 21 H SER 21 -1.888 0.096 11.309 175 HA SER 21 HA SER 21 -2.004 -1.374 13.738 176 HB2 SER 21 HB2 SER 21 -0.492 0.235 14.641 177 HB3 SER 21 HB3 SER 21 -1.367 1.575 13.898 178 HG SER 21 HG SER 21 -2.213 1.635 15.849 179 HA PRO 22 HA PRO 22 -5.984 0.158 11.844 180 HB2 PRO 22 HB2 PRO 22 -7.082 -2.307 11.546 181 HB3 PRO 22 HB3 PRO 22 -6.049 -1.561 10.321 182 HG2 PRO 22 HG2 PRO 22 -5.354 -3.602 12.398 183 HG3 PRO 22 HG3 PRO 22 -4.878 -3.536 10.691 184 HD2 PRO 22 HD2 PRO 22 -3.230 -2.757 12.693 185 HD3 PRO 22 HD3 PRO 22 -3.203 -2.003 11.087 186 H LEU 23 H LEU 23 -8.265 -0.546 12.596 187 HA LEU 23 HA LEU 23 -8.235 -0.527 15.496 188 HB2 LEU 23 HB2 LEU 23 -10.394 -0.162 13.438 189 HB3 LEU 23 HB3 LEU 23 -10.744 -0.267 15.162 190 HG LEU 23 HG LEU 23 -10.732 2.035 14.568 191 HD11 LEU 23 HD11 LEU 23 -9.360 1.116 16.622 192 HD12 LEU 23 HD12 LEU 23 -9.363 2.831 16.211 193 HD13 LEU 23 HD13 LEU 23 -8.006 1.813 15.732 194 HD21 LEU 23 HD21 LEU 23 -8.908 1.293 12.624 195 HD22 LEU 23 HD22 LEU 23 -7.971 2.309 13.720 196 HD23 LEU 23 HD23 LEU 23 -9.448 2.933 12.984 197 H SER 24 H SER 24 -9.385 -2.587 12.871 198 HA SER 24 HA SER 24 -10.395 -4.555 14.769 199 HB2 SER 24 HB2 SER 24 -10.934 -5.791 12.548 200 HB3 SER 24 HB3 SER 24 -11.862 -4.348 12.956 201 HG SER 24 HG SER 24 -11.103 -4.336 10.784 202 H SER 25 H SER 25 -7.689 -4.209 15.038 203 HA SER 25 HA SER 25 -6.287 -6.215 13.501 204 HB2 SER 25 HB2 SER 25 -5.263 -4.041 14.346 205 HB3 SER 25 HB3 SER 25 -5.262 -4.775 15.950 206 HG SER 25 HG SER 25 -3.293 -5.214 15.053 207 H ASP 26 H ASP 26 -7.447 -5.817 16.819 208 HA ASP 26 HA ASP 26 -6.513 -8.450 17.583 209 HB2 ASP 26 HB2 ASP 26 -7.165 -7.906 19.774 210 HB3 ASP 26 HB3 ASP 26 -6.609 -6.376 19.101 211 H ALA 27 H ALA 27 -9.423 -6.962 16.441 212 HA ALA 27 HA ALA 27 -11.334 -8.788 17.361 213 HB1 ALA 27 HB1 ALA 27 -11.253 -7.056 14.903 214 HB2 ALA 27 HB2 ALA 27 -12.653 -8.034 15.345 215 HB3 ALA 27 HB3 ALA 27 -12.096 -6.754 16.423 216 H ILE 28 H ILE 28 -8.891 -9.111 14.966 217 HA ILE 28 HA ILE 28 -10.078 -11.121 13.367 218 HB ILE 28 HB ILE 28 -7.150 -10.575 13.872 219 HG12 ILE 28 HG12 ILE 28 -8.328 -8.641 12.941 220 HG13 ILE 28 HG13 ILE 28 -7.253 -9.347 11.740 221 HG21 ILE 28 HG21 ILE 28 -8.486 -12.154 11.678 222 HG22 ILE 28 HG22 ILE 28 -6.766 -11.780 11.776 223 HG23 ILE 28 HG23 ILE 28 -7.514 -12.816 12.992 224 HD11 ILE 28 HD11 ILE 28 -9.300 -8.766 10.674 225 HD12 ILE 28 HD12 ILE 28 -9.221 -10.525 10.779 226 HD13 ILE 28 HD13 ILE 28 -10.241 -9.620 11.896 227 H PHE 29 H PHE 29 -8.511 -11.166 16.456 228 HA PHE 29 HA PHE 29 -8.277 -14.082 16.411 229 HB2 PHE 29 HB2 PHE 29 -6.444 -12.506 17.301 230 HB3 PHE 29 HB3 PHE 29 -7.489 -12.294 18.702 231 HD1 PHE 29 HD1 PHE 29 -5.084 -14.401 17.075 232 HD2 PHE 29 HD2 PHE 29 -8.108 -14.308 20.068 233 HE1 PHE 29 HE1 PHE 29 -4.161 -16.455 18.066 234 HE2 PHE 29 HE2 PHE 29 -7.190 -16.361 21.065 235 HZ PHE 29 HZ PHE 29 -5.213 -17.437 20.065 236 H LYS 30 H LYS 30 -10.288 -11.567 17.599 237 HA LYS 30 HA LYS 30 -11.411 -12.768 19.862 238 HB2 LYS 30 HB2 LYS 30 -13.000 -11.094 19.797 239 HB3 LYS 30 HB3 LYS 30 -11.708 -10.373 18.846 240 HG2 LYS 30 HG2 LYS 30 -13.371 -9.947 17.401 241 HG3 LYS 30 HG3 LYS 30 -13.089 -11.616 16.898 242 HD2 LYS 30 HD2 LYS 30 -14.798 -12.067 18.900 243 HD3 LYS 30 HD3 LYS 30 -15.327 -10.444 18.450 244 HE2 LYS 30 HE2 LYS 30 -14.942 -12.577 16.379 245 HE3 LYS 30 HE3 LYS 30 -16.436 -12.478 17.310 246 HZ1 LYS 30 HZ1 LYS 30 -17.090 -10.641 16.225 247 HZ2 LYS 30 HZ2 LYS 30 -16.020 -11.168 15.027 248 HZ3 LYS 30 HZ3 LYS 30 -15.533 -9.986 16.134 249 H GLN 31 H GLN 31 -11.741 -13.528 16.535 250 HA GLN 31 HA GLN 31 -14.292 -14.662 16.459 251 HB2 GLN 31 HB2 GLN 31 -12.964 -14.252 14.447 252 HB3 GLN 31 HB3 GLN 31 -11.807 -15.480 14.944 253 HG2 GLN 31 HG2 GLN 31 -13.592 -17.175 14.794 254 HG3 GLN 31 HG3 GLN 31 -14.688 -15.929 14.201 255 HE21 GLN 31 HE21 GLN 31 -14.553 -17.889 12.560 256 HE22 GLN 31 HE22 GLN 31 -13.511 -17.595 11.214 257 H SER 32 H SER 32 -11.341 -15.808 17.860 258 HA SER 32 HA SER 32 -12.264 -18.542 18.098 259 HB2 SER 32 HB2 SER 32 -9.849 -17.962 17.767 260 HB3 SER 32 HB3 SER 32 -9.845 -17.251 19.380 261 HG SER 32 HG SER 32 -9.873 -19.909 18.608 262 H HIS 33 H HIS 33 -11.772 -15.744 20.206 263 HA HIS 33 HA HIS 33 -12.489 -17.056 22.614 264 HB2 HIS 33 HB2 HIS 33 -11.262 -14.780 22.223 265 HB3 HIS 33 HB3 HIS 33 -12.891 -14.112 22.205 266 HD1 HIS 33 HD1 HIS 33 -11.541 -16.811 24.506 267 HD2 HIS 33 HD2 HIS 33 -13.011 -12.928 24.652 268 HE1 HIS 33 HE1 HIS 33 -11.725 -16.253 26.951 Start of MODEL 11 1 H1 ASN 1 H ASN 1 -2.798 -4.200 4.262 2 HA ASN 1 HA ASN 1 -2.224 -2.970 1.892 3 HB2 ASN 1 HB2 ASN 1 -3.155 -5.119 1.737 4 HB3 ASN 1 HB3 ASN 1 -4.550 -4.686 2.721 5 HD21 ASN 1 HD21 ASN 1 -6.363 -4.107 1.731 6 HD22 ASN 1 HD22 ASN 1 -6.519 -3.782 0.041 7 H VAL 2 H VAL 2 -2.478 -0.848 1.532 8 HA VAL 2 HA VAL 2 -4.965 0.472 2.318 9 HB VAL 2 HB VAL 2 -2.676 1.486 2.772 10 HG11 VAL 2 HG11 VAL 2 -2.664 2.629 0.053 11 HG12 VAL 2 HG12 VAL 2 -1.320 2.199 1.113 12 HG13 VAL 2 HG13 VAL 2 -2.150 0.947 0.188 13 HG21 VAL 2 HG21 VAL 2 -3.988 3.245 3.120 14 HG22 VAL 2 HG22 VAL 2 -3.761 3.702 1.432 15 HG23 VAL 2 HG23 VAL 2 -5.129 2.691 1.895 16 H ASP 3 H ASP 3 -4.677 -1.446 0.020 17 HA ASP 3 HA ASP 3 -5.151 0.254 -2.294 18 HB2 ASP 3 HB2 ASP 3 -3.856 -2.040 -2.196 19 HB3 ASP 3 HB3 ASP 3 -5.472 -2.720 -2.362 20 H VAL 4 H VAL 4 -7.033 -0.544 -3.756 21 HA VAL 4 HA VAL 4 -9.444 -0.622 -2.073 22 HB VAL 4 HB VAL 4 -10.641 0.293 -4.030 23 HG11 VAL 4 HG11 VAL 4 -9.358 2.542 -4.043 24 HG12 VAL 4 HG12 VAL 4 -10.034 1.950 -2.524 25 HG13 VAL 4 HG13 VAL 4 -8.312 1.762 -2.856 26 HG21 VAL 4 HG21 VAL 4 -8.430 -0.578 -5.452 27 HG22 VAL 4 HG22 VAL 4 -9.752 0.410 -6.073 28 HG23 VAL 4 HG23 VAL 4 -8.285 1.179 -5.470 29 H ARG 5 H ARG 5 -7.848 -2.961 -2.896 30 HA ARG 5 HA ARG 5 -9.683 -4.320 -4.733 31 HB2 ARG 5 HB2 ARG 5 -7.129 -4.363 -5.008 32 HB3 ARG 5 HB3 ARG 5 -7.124 -5.459 -3.632 33 HG2 ARG 5 HG2 ARG 5 -7.561 -7.163 -4.969 34 HG3 ARG 5 HG3 ARG 5 -9.053 -6.384 -5.501 35 HD2 ARG 5 HD2 ARG 5 -6.582 -5.312 -6.683 36 HD3 ARG 5 HD3 ARG 5 -6.964 -6.976 -7.124 37 HE ARG 5 HE ARG 5 -9.281 -5.447 -7.425 38 HH11 ARG 5 HH11 ARG 5 -6.109 -5.734 -8.832 39 HH12 ARG 5 HH12 ARG 5 -6.612 -5.186 -10.397 40 HH21 ARG 5 HH21 ARG 5 -9.954 -4.724 -9.481 41 HH22 ARG 5 HH22 ARG 5 -8.799 -4.611 -10.765 42 H TYR 6 H TYR 6 -11.342 -5.315 -3.806 43 HA TYR 6 HA TYR 6 -10.845 -6.975 -1.443 44 HB2 TYR 6 HB2 TYR 6 -13.091 -6.200 -0.541 45 HB3 TYR 6 HB3 TYR 6 -11.777 -5.032 -0.446 46 HD1 TYR 6 HD1 TYR 6 -11.855 -2.979 -1.676 47 HD2 TYR 6 HD2 TYR 6 -14.891 -5.912 -2.207 48 HE1 TYR 6 HE1 TYR 6 -13.229 -1.331 -2.879 49 HE2 TYR 6 HE2 TYR 6 -16.273 -4.273 -3.413 50 HH TYR 6 HH TYR 6 -16.526 -2.053 -3.859 51 H THR 7 H THR 7 -11.100 -7.715 -4.177 52 HA THR 7 HA THR 7 -13.764 -8.928 -4.333 53 HB THR 7 HB THR 7 -12.620 -9.666 -6.659 54 HG1 THR 7 HG1 THR 7 -11.589 -7.063 -6.377 55 HG21 THR 7 HG21 THR 7 -13.592 -6.864 -6.597 56 HG22 THR 7 HG22 THR 7 -14.675 -8.107 -5.972 57 HG23 THR 7 HG23 THR 7 -14.079 -8.208 -7.628 58 H TYR 8 H TYR 8 -10.978 -9.708 -2.938 59 HA TYR 8 HA TYR 8 -11.536 -12.460 -2.757 60 HB2 TYR 8 HB2 TYR 8 -9.673 -13.418 -3.976 61 HB3 TYR 8 HB3 TYR 8 -10.650 -12.452 -5.076 62 HD1 TYR 8 HD1 TYR 8 -7.375 -13.088 -3.887 63 HD2 TYR 8 HD2 TYR 8 -9.845 -10.012 -5.481 64 HE1 TYR 8 HE1 TYR 8 -5.369 -11.830 -4.553 65 HE2 TYR 8 HE2 TYR 8 -7.846 -8.746 -6.152 66 HH TYR 8 HH TYR 8 -4.594 -10.073 -5.702 67 H ARG 9 H ARG 9 -9.112 -13.536 -2.127 68 HA ARG 9 HA ARG 9 -8.243 -11.837 0.114 69 HB2 ARG 9 HB2 ARG 9 -8.404 -14.828 -0.198 70 HB3 ARG 9 HB3 ARG 9 -7.443 -14.078 1.069 71 HG2 ARG 9 HG2 ARG 9 -9.348 -13.139 2.096 72 HG3 ARG 9 HG3 ARG 9 -10.366 -13.501 0.700 73 HD2 ARG 9 HD2 ARG 9 -9.820 -15.952 1.160 74 HD3 ARG 9 HD3 ARG 9 -9.211 -15.400 2.720 75 HE ARG 9 HE ARG 9 -11.369 -15.154 3.425 76 HH11 ARG 9 HH11 ARG 9 -11.332 -15.311 -0.053 77 HH12 ARG 9 HH12 ARG 9 -13.058 -15.357 -0.199 78 HH21 ARG 9 HH21 ARG 9 -13.642 -15.214 3.245 79 HH22 ARG 9 HH22 ARG 9 -14.371 -15.301 1.677 80 HA PRO 10 HA PRO 10 -4.580 -11.982 -2.665 81 HB2 PRO 10 HB2 PRO 10 -3.750 -9.472 -2.046 82 HB3 PRO 10 HB3 PRO 10 -4.962 -9.804 -3.288 83 HG2 PRO 10 HG2 PRO 10 -5.347 -8.922 -0.454 84 HG3 PRO 10 HG3 PRO 10 -6.167 -8.359 -1.922 85 HD2 PRO 10 HD2 PRO 10 -7.294 -10.132 -0.213 86 HD3 PRO 10 HD3 PRO 10 -7.605 -10.159 -1.961 87 H SER 11 H SER 11 -2.286 -11.737 -2.135 88 HA SER 11 HA SER 11 -1.775 -12.559 0.612 89 HB2 SER 11 HB2 SER 11 -0.269 -12.733 -1.967 90 HB3 SER 11 HB3 SER 11 0.631 -12.808 -0.453 91 HG SER 11 HG SER 11 0.109 -14.864 -0.696 92 H VAL 12 H VAL 12 -2.453 -10.080 0.896 93 HA VAL 12 HA VAL 12 0.061 -8.543 1.039 94 HB VAL 12 HB VAL 12 -1.446 -6.501 1.073 95 HG11 VAL 12 HG11 VAL 12 -0.270 -6.685 -0.888 96 HG12 VAL 12 HG12 VAL 12 -0.964 -8.258 -1.285 97 HG13 VAL 12 HG13 VAL 12 -1.923 -6.792 -1.492 98 HG21 VAL 12 HG21 VAL 12 -3.663 -6.756 0.053 99 HG22 VAL 12 HG22 VAL 12 -3.458 -8.507 0.055 100 HG23 VAL 12 HG23 VAL 12 -3.544 -7.628 1.581 101 HA PRO 13 HA PRO 13 -0.394 -8.292 5.399 102 HB2 PRO 13 HB2 PRO 13 0.664 -5.842 5.896 103 HB3 PRO 13 HB3 PRO 13 1.646 -7.235 5.430 104 HG2 PRO 13 HG2 PRO 13 0.646 -4.972 3.744 105 HG3 PRO 13 HG3 PRO 13 2.246 -5.737 3.755 106 HD2 PRO 13 HD2 PRO 13 0.369 -6.314 1.891 107 HD3 PRO 13 HD3 PRO 13 1.545 -7.514 2.465 108 H ALA 14 H ALA 14 -1.378 -7.036 7.158 109 HA ALA 14 HA ALA 14 -3.971 -6.132 6.482 110 HB1 ALA 14 HB1 ALA 14 -4.196 -5.604 8.862 111 HB2 ALA 14 HB2 ALA 14 -3.493 -7.203 8.615 112 HB3 ALA 14 HB3 ALA 14 -2.463 -5.849 9.079 113 H HIS 15 H HIS 15 -0.935 -4.500 6.987 114 HA HIS 15 HA HIS 15 -2.277 -1.937 6.438 115 HB2 HIS 15 HB2 HIS 15 -0.365 -0.904 7.796 116 HB3 HIS 15 HB3 HIS 15 -1.632 -1.733 8.696 117 HD1 HIS 15 HD1 HIS 15 -0.996 -4.230 9.498 118 HD2 HIS 15 HD2 HIS 15 2.158 -1.821 8.269 119 HE1 HIS 15 HE1 HIS 15 1.078 -5.324 10.406 120 H ARG 16 H ARG 16 -0.812 -0.296 5.473 121 HA ARG 16 HA ARG 16 1.038 -1.599 3.595 122 HB2 ARG 16 HB2 ARG 16 -0.951 -0.390 2.658 123 HB3 ARG 16 HB3 ARG 16 -0.288 1.101 3.316 124 HG2 ARG 16 HG2 ARG 16 0.689 1.333 1.328 125 HG3 ARG 16 HG3 ARG 16 1.824 0.105 1.892 126 HD2 ARG 16 HD2 ARG 16 0.846 -1.561 0.655 127 HD3 ARG 16 HD3 ARG 16 -0.734 -0.778 0.653 128 HE ARG 16 HE ARG 16 -0.154 0.274 -1.287 129 HH11 ARG 16 HH11 ARG 16 2.741 -0.852 0.285 130 HH12 ARG 16 HH12 ARG 16 3.781 -0.416 -1.031 131 HH21 ARG 16 HH21 ARG 16 1.204 0.852 -3.026 132 HH22 ARG 16 HH22 ARG 16 2.906 0.554 -2.913 133 H ARG 17 H ARG 17 2.253 -1.300 5.898 134 HA ARG 17 HA ARG 17 4.331 0.575 5.348 135 HB2 ARG 17 HB2 ARG 17 2.176 1.387 7.112 136 HB3 ARG 17 HB3 ARG 17 3.721 1.377 7.952 137 HG2 ARG 17 HG2 ARG 17 3.143 2.829 5.378 138 HG3 ARG 17 HG3 ARG 17 3.209 3.562 6.982 139 HD2 ARG 17 HD2 ARG 17 5.576 2.604 7.121 140 HD3 ARG 17 HD3 ARG 17 5.440 2.347 5.382 141 HE ARG 17 HE ARG 17 4.764 5.013 6.050 142 HH11 ARG 17 HH11 ARG 17 7.488 2.870 5.728 143 HH12 ARG 17 HH12 ARG 17 8.608 4.138 5.354 144 HH21 ARG 17 HH21 ARG 17 6.228 6.691 5.558 145 HH22 ARG 17 HH22 ARG 17 7.890 6.311 5.258 146 H VAL 18 H VAL 18 5.757 0.709 7.539 147 HA VAL 18 HA VAL 18 6.204 -2.097 8.262 148 HB VAL 18 HB VAL 18 8.086 -0.817 7.253 149 HG11 VAL 18 HG11 VAL 18 9.054 1.026 8.235 150 HG12 VAL 18 HG12 VAL 18 7.349 1.300 8.598 151 HG13 VAL 18 HG13 VAL 18 8.419 0.641 9.835 152 HG21 VAL 18 HG21 VAL 18 9.700 -1.832 8.560 153 HG22 VAL 18 HG22 VAL 18 8.852 -1.482 10.066 154 HG23 VAL 18 HG23 VAL 18 8.254 -2.745 8.991 155 H ARG 19 H ARG 19 5.352 0.990 9.592 156 HA ARG 19 HA ARG 19 5.286 -0.220 12.279 157 HB2 ARG 19 HB2 ARG 19 6.067 2.552 11.421 158 HB3 ARG 19 HB3 ARG 19 5.478 2.244 13.049 159 HG2 ARG 19 HG2 ARG 19 7.324 0.979 13.622 160 HG3 ARG 19 HG3 ARG 19 7.724 0.619 11.941 161 HD2 ARG 19 HD2 ARG 19 8.344 2.981 11.612 162 HD3 ARG 19 HD3 ARG 19 7.999 3.292 13.312 163 HE ARG 19 HE ARG 19 10.361 2.122 12.234 164 HH11 ARG 19 HH11 ARG 19 8.242 2.098 14.996 165 HH12 ARG 19 HH12 ARG 19 9.471 1.573 16.098 166 HH21 ARG 19 HH21 ARG 19 11.988 1.431 13.675 167 HH22 ARG 19 HH22 ARG 19 11.602 1.194 15.346 168 H GLU 20 H GLU 20 3.120 -0.706 10.895 169 HA GLU 20 HA GLU 20 1.163 1.302 11.802 170 HB2 GLU 20 HB2 GLU 20 1.462 -0.056 9.194 171 HB3 GLU 20 HB3 GLU 20 -0.179 0.033 9.819 172 HG2 GLU 20 HG2 GLU 20 0.179 2.503 10.110 173 HG3 GLU 20 HG3 GLU 20 1.684 2.310 9.212 174 H SER 21 H SER 21 -0.913 0.478 12.437 175 HA SER 21 HA SER 21 -1.314 -2.347 12.754 176 HB2 SER 21 HB2 SER 21 0.276 -1.479 14.666 177 HB3 SER 21 HB3 SER 21 -1.226 -0.865 15.356 178 HG SER 21 HG SER 21 -0.484 -3.115 15.897 179 HA PRO 22 HA PRO 22 -5.111 0.316 12.508 180 HB2 PRO 22 HB2 PRO 22 -6.270 -1.119 10.516 181 HB3 PRO 22 HB3 PRO 22 -5.132 0.199 10.214 182 HG2 PRO 22 HG2 PRO 22 -4.648 -2.755 10.228 183 HG3 PRO 22 HG3 PRO 22 -4.057 -1.530 9.090 184 HD2 PRO 22 HD2 PRO 22 -2.521 -2.525 11.086 185 HD3 PRO 22 HD3 PRO 22 -2.361 -0.857 10.499 186 H LEU 23 H LEU 23 -7.483 -0.785 12.164 187 HA LEU 23 HA LEU 23 -7.723 -2.588 14.420 188 HB2 LEU 23 HB2 LEU 23 -9.688 -1.085 12.722 189 HB3 LEU 23 HB3 LEU 23 -10.213 -2.305 13.880 190 HG LEU 23 HG LEU 23 -10.462 -0.149 14.882 191 HD11 LEU 23 HD11 LEU 23 -9.484 -2.093 16.208 192 HD12 LEU 23 HD12 LEU 23 -9.300 -0.477 16.889 193 HD13 LEU 23 HD13 LEU 23 -7.939 -1.252 16.078 194 HD21 LEU 23 HD21 LEU 23 -8.311 0.590 13.332 195 HD22 LEU 23 HD22 LEU 23 -7.654 0.614 14.969 196 HD23 LEU 23 HD23 LEU 23 -9.080 1.576 14.576 197 H SER 24 H SER 24 -8.591 -2.581 10.975 198 HA SER 24 HA SER 24 -9.807 -5.051 10.791 199 HB2 SER 24 HB2 SER 24 -9.923 -3.874 8.808 200 HB3 SER 24 HB3 SER 24 -8.234 -3.372 8.884 201 HG SER 24 HG SER 24 -8.623 -4.963 7.266 202 H SER 25 H SER 25 -6.425 -4.284 11.132 203 HA SER 25 HA SER 25 -5.211 -6.608 10.263 204 HB2 SER 25 HB2 SER 25 -4.192 -4.418 11.253 205 HB3 SER 25 HB3 SER 25 -4.284 -5.276 12.790 206 HG SER 25 HG SER 25 -3.146 -7.022 11.551 207 H ASP 26 H ASP 26 -6.785 -5.947 13.353 208 HA ASP 26 HA ASP 26 -6.170 -8.597 14.362 209 HB2 ASP 26 HB2 ASP 26 -6.165 -6.672 15.895 210 HB3 ASP 26 HB3 ASP 26 -7.870 -6.394 15.551 211 H ALA 27 H ALA 27 -8.770 -6.947 12.775 212 HA ALA 27 HA ALA 27 -10.930 -8.574 13.502 213 HB1 ALA 27 HB1 ALA 27 -10.466 -7.122 10.900 214 HB2 ALA 27 HB2 ALA 27 -12.012 -7.751 11.469 215 HB3 ALA 27 HB3 ALA 27 -11.214 -6.448 12.348 216 H ILE 28 H ILE 28 -8.234 -9.192 11.460 217 HA ILE 28 HA ILE 28 -9.257 -11.088 9.694 218 HB ILE 28 HB ILE 28 -6.514 -11.054 10.959 219 HG12 ILE 28 HG12 ILE 28 -7.039 -8.946 9.834 220 HG13 ILE 28 HG13 ILE 28 -5.839 -9.849 8.917 221 HG21 ILE 28 HG21 ILE 28 -6.268 -12.087 8.427 222 HG22 ILE 28 HG22 ILE 28 -6.289 -13.020 9.923 223 HG23 ILE 28 HG23 ILE 28 -7.775 -12.802 8.999 224 HD11 ILE 28 HD11 ILE 28 -8.774 -9.622 8.301 225 HD12 ILE 28 HD12 ILE 28 -7.441 -8.875 7.420 226 HD13 ILE 28 HD13 ILE 28 -7.629 -10.628 7.414 227 H PHE 29 H PHE 29 -8.595 -11.306 13.085 228 HA PHE 29 HA PHE 29 -8.846 -14.220 13.056 229 HB2 PHE 29 HB2 PHE 29 -7.114 -12.839 14.452 230 HB3 PHE 29 HB3 PHE 29 -8.467 -12.605 15.553 231 HD1 PHE 29 HD1 PHE 29 -6.137 -15.033 14.121 232 HD2 PHE 29 HD2 PHE 29 -9.356 -14.436 16.840 233 HE1 PHE 29 HE1 PHE 29 -5.681 -17.227 15.137 234 HE2 PHE 29 HE2 PHE 29 -8.905 -16.629 17.861 235 HZ PHE 29 HZ PHE 29 -7.065 -18.027 17.010 236 H LYS 30 H LYS 30 -10.807 -11.545 13.272 237 HA LYS 30 HA LYS 30 -12.609 -12.095 15.307 238 HB2 LYS 30 HB2 LYS 30 -14.014 -10.554 14.313 239 HB3 LYS 30 HB3 LYS 30 -12.465 -10.109 13.608 240 HG2 LYS 30 HG2 LYS 30 -13.687 -10.141 11.711 241 HG3 LYS 30 HG3 LYS 30 -13.267 -11.855 11.761 242 HD2 LYS 30 HD2 LYS 30 -15.527 -12.016 11.452 243 HD3 LYS 30 HD3 LYS 30 -15.468 -11.991 13.216 244 HE2 LYS 30 HE2 LYS 30 -15.979 -9.636 13.243 245 HE3 LYS 30 HE3 LYS 30 -15.883 -9.556 11.485 246 HZ1 LYS 30 HZ1 LYS 30 -18.168 -9.803 12.732 247 HZ2 LYS 30 HZ2 LYS 30 -17.778 -11.447 12.663 248 HZ3 LYS 30 HZ3 LYS 30 -17.898 -10.546 11.237 249 H GLN 31 H GLN 31 -12.105 -13.732 12.310 250 HA GLN 31 HA GLN 31 -14.585 -14.925 11.892 251 HB2 GLN 31 HB2 GLN 31 -13.362 -16.663 10.663 252 HB3 GLN 31 HB3 GLN 31 -12.774 -15.055 10.263 253 HG2 GLN 31 HG2 GLN 31 -10.838 -15.356 11.647 254 HG3 GLN 31 HG3 GLN 31 -11.453 -16.898 12.238 255 HE21 GLN 31 HE21 GLN 31 -10.075 -18.359 11.483 256 HE22 GLN 31 HE22 GLN 31 -9.615 -18.543 9.828 257 H SER 32 H SER 32 -12.160 -15.565 14.279 258 HA SER 32 HA SER 32 -12.754 -18.195 14.976 259 HB2 SER 32 HB2 SER 32 -10.815 -17.085 15.900 260 HB3 SER 32 HB3 SER 32 -11.831 -15.894 16.711 261 HG SER 32 HG SER 32 -11.116 -18.383 17.515 262 H HIS 33 H HIS 33 -14.506 -15.264 15.559 263 HA HIS 33 HA HIS 33 -16.049 -15.900 17.760 264 HB2 HIS 33 HB2 HIS 33 -17.617 -14.269 17.004 265 HB3 HIS 33 HB3 HIS 33 -16.026 -13.717 16.488 266 HD1 HIS 33 HD1 HIS 33 -16.065 -15.809 13.986 267 HD2 HIS 33 HD2 HIS 33 -18.843 -12.859 14.904 268 HE1 HIS 33 HE1 HIS 33 -17.217 -15.271 11.816 Start of MODEL 12 1 H1 ASN 1 H ASN 1 -0.301 -3.758 -0.181 2 HA ASN 1 HA ASN 1 -0.560 -0.827 -0.250 3 HB2 ASN 1 HB2 ASN 1 0.156 -2.226 -2.335 4 HB3 ASN 1 HB3 ASN 1 -1.556 -2.628 -2.434 5 HD21 ASN 1 HD21 ASN 1 -2.912 -1.216 -3.335 6 HD22 ASN 1 HD22 ASN 1 -2.487 0.379 -3.846 7 H VAL 2 H VAL 2 -2.738 0.007 -0.779 8 HA VAL 2 HA VAL 2 -4.664 -0.955 1.035 9 HB VAL 2 HB VAL 2 -6.196 0.669 0.044 10 HG11 VAL 2 HG11 VAL 2 -3.460 1.329 0.868 11 HG12 VAL 2 HG12 VAL 2 -4.301 2.620 0.008 12 HG13 VAL 2 HG13 VAL 2 -5.005 1.929 1.471 13 HG21 VAL 2 HG21 VAL 2 -5.257 2.096 -1.855 14 HG22 VAL 2 HG22 VAL 2 -4.121 0.775 -2.126 15 HG23 VAL 2 HG23 VAL 2 -5.855 0.490 -2.272 16 H ASP 3 H ASP 3 -6.633 -2.000 0.715 17 HA ASP 3 HA ASP 3 -6.799 -3.549 -1.784 18 HB2 ASP 3 HB2 ASP 3 -8.306 -5.053 -0.292 19 HB3 ASP 3 HB3 ASP 3 -6.559 -5.126 -0.085 20 H VAL 4 H VAL 4 -7.815 -1.311 -2.382 21 HA VAL 4 HA VAL 4 -10.724 -1.536 -1.956 22 HB VAL 4 HB VAL 4 -9.135 1.011 -2.300 23 HG11 VAL 4 HG11 VAL 4 -11.442 1.996 -1.682 24 HG12 VAL 4 HG12 VAL 4 -11.165 1.457 -3.339 25 HG13 VAL 4 HG13 VAL 4 -12.073 0.440 -2.219 26 HG21 VAL 4 HG21 VAL 4 -8.788 0.640 -0.096 27 HG22 VAL 4 HG22 VAL 4 -10.419 1.295 0.044 28 HG23 VAL 4 HG23 VAL 4 -10.166 -0.451 0.049 29 H ARG 5 H ARG 5 -11.501 -2.371 -3.792 30 HA ARG 5 HA ARG 5 -11.990 -2.659 -5.994 31 HB2 ARG 5 HB2 ARG 5 -11.082 0.221 -6.139 32 HB3 ARG 5 HB3 ARG 5 -11.920 -0.630 -7.429 33 HG2 ARG 5 HG2 ARG 5 -13.684 -1.065 -5.509 34 HG3 ARG 5 HG3 ARG 5 -12.953 0.400 -4.848 35 HD2 ARG 5 HD2 ARG 5 -14.599 1.326 -6.135 36 HD3 ARG 5 HD3 ARG 5 -13.288 1.269 -7.312 37 HE ARG 5 HE ARG 5 -14.853 -1.104 -7.382 38 HH11 ARG 5 HH11 ARG 5 -14.813 2.231 -8.380 39 HH12 ARG 5 HH12 ARG 5 -15.857 1.973 -9.738 40 HH21 ARG 5 HH21 ARG 5 -16.228 -1.457 -9.167 41 HH22 ARG 5 HH22 ARG 5 -16.662 -0.125 -10.184 42 H TYR 6 H TYR 6 -9.652 -3.794 -5.355 43 HA TYR 6 HA TYR 6 -7.378 -2.958 -6.765 44 HB2 TYR 6 HB2 TYR 6 -6.691 -5.390 -6.573 45 HB3 TYR 6 HB3 TYR 6 -7.094 -4.589 -5.058 46 HD1 TYR 6 HD1 TYR 6 -8.862 -5.377 -3.693 47 HD2 TYR 6 HD2 TYR 6 -8.352 -6.955 -7.611 48 HE1 TYR 6 HE1 TYR 6 -10.493 -7.147 -3.186 49 HE2 TYR 6 HE2 TYR 6 -9.983 -8.728 -7.116 50 HH TYR 6 HH TYR 6 -11.706 -9.287 -5.646 51 H THR 7 H THR 7 -6.423 -4.718 -8.437 52 HA THR 7 HA THR 7 -8.443 -5.260 -10.494 53 HB THR 7 HB THR 7 -6.561 -4.477 -12.159 54 HG1 THR 7 HG1 THR 7 -5.163 -3.039 -11.351 55 HG21 THR 7 HG21 THR 7 -8.758 -3.495 -12.138 56 HG22 THR 7 HG22 THR 7 -7.568 -2.193 -12.158 57 HG23 THR 7 HG23 THR 7 -8.396 -2.609 -10.657 58 H TYR 8 H TYR 8 -6.661 -6.800 -8.567 59 HA TYR 8 HA TYR 8 -6.111 -8.983 -10.276 60 HB2 TYR 8 HB2 TYR 8 -3.642 -9.036 -10.014 61 HB3 TYR 8 HB3 TYR 8 -4.197 -7.679 -10.988 62 HD1 TYR 8 HD1 TYR 8 -2.290 -8.680 -8.135 63 HD2 TYR 8 HD2 TYR 8 -4.390 -5.399 -9.847 64 HE1 TYR 8 HE1 TYR 8 -1.058 -7.135 -6.670 65 HE2 TYR 8 HE2 TYR 8 -3.164 -3.845 -8.387 66 HH TYR 8 HH TYR 8 -0.527 -4.275 -7.045 67 H ARG 9 H ARG 9 -4.337 -10.457 -8.918 68 HA ARG 9 HA ARG 9 -5.516 -10.616 -6.226 69 HB2 ARG 9 HB2 ARG 9 -5.932 -12.534 -7.778 70 HB3 ARG 9 HB3 ARG 9 -4.199 -12.830 -7.805 71 HG2 ARG 9 HG2 ARG 9 -4.939 -14.339 -6.231 72 HG3 ARG 9 HG3 ARG 9 -4.430 -12.976 -5.232 73 HD2 ARG 9 HD2 ARG 9 -6.533 -13.691 -4.398 74 HD3 ARG 9 HD3 ARG 9 -6.816 -12.189 -5.277 75 HE ARG 9 HE ARG 9 -7.219 -14.327 -7.033 76 HH11 ARG 9 HH11 ARG 9 -8.649 -12.932 -4.182 77 HH12 ARG 9 HH12 ARG 9 -10.253 -13.463 -4.568 78 HH21 ARG 9 HH21 ARG 9 -9.326 -15.031 -7.553 79 HH22 ARG 9 HH22 ARG 9 -10.636 -14.657 -6.485 80 HA PRO 10 HA PRO 10 -1.151 -9.413 -5.437 81 HB2 PRO 10 HB2 PRO 10 -1.732 -7.974 -3.210 82 HB3 PRO 10 HB3 PRO 10 -1.842 -7.304 -4.842 83 HG2 PRO 10 HG2 PRO 10 -4.016 -8.371 -3.082 84 HG3 PRO 10 HG3 PRO 10 -4.012 -6.918 -4.098 85 HD2 PRO 10 HD2 PRO 10 -5.204 -9.227 -4.861 86 HD3 PRO 10 HD3 PRO 10 -4.457 -8.109 -6.021 87 H SER 11 H SER 11 0.204 -9.825 -3.541 88 HA SER 11 HA SER 11 -0.856 -12.047 -1.923 89 HB2 SER 11 HB2 SER 11 1.746 -11.594 -3.271 90 HB3 SER 11 HB3 SER 11 1.816 -12.349 -1.679 91 HG SER 11 HG SER 11 1.277 -13.521 -3.949 92 H VAL 12 H VAL 12 -0.883 -9.076 -1.424 93 HA VAL 12 HA VAL 12 0.813 -8.891 0.955 94 HB VAL 12 HB VAL 12 0.045 -6.506 1.011 95 HG11 VAL 12 HG11 VAL 12 2.085 -6.478 0.064 96 HG12 VAL 12 HG12 VAL 12 1.689 -7.769 -1.073 97 HG13 VAL 12 HG13 VAL 12 1.190 -6.110 -1.410 98 HG21 VAL 12 HG21 VAL 12 -1.628 -5.796 -0.266 99 HG22 VAL 12 HG22 VAL 12 -0.804 -6.352 -1.723 100 HG23 VAL 12 HG23 VAL 12 -1.855 -7.451 -0.831 101 HA PRO 13 HA PRO 13 -2.452 -9.560 3.814 102 HB2 PRO 13 HB2 PRO 13 -1.696 -7.933 5.852 103 HB3 PRO 13 HB3 PRO 13 -0.861 -9.444 5.468 104 HG2 PRO 13 HG2 PRO 13 -0.123 -6.635 4.743 105 HG3 PRO 13 HG3 PRO 13 0.915 -7.951 5.321 106 HD2 PRO 13 HD2 PRO 13 0.756 -7.262 2.708 107 HD3 PRO 13 HD3 PRO 13 1.047 -8.930 3.239 108 H ALA 14 H ALA 14 -4.173 -8.470 5.050 109 HA ALA 14 HA ALA 14 -5.643 -6.680 3.553 110 HB1 ALA 14 HB1 ALA 14 -5.788 -6.959 6.551 111 HB2 ALA 14 HB2 ALA 14 -7.067 -6.408 5.469 112 HB3 ALA 14 HB3 ALA 14 -6.519 -8.082 5.404 113 H HIS 15 H HIS 15 -3.071 -6.050 5.800 114 HA HIS 15 HA HIS 15 -3.606 -3.342 6.356 115 HB2 HIS 15 HB2 HIS 15 -0.856 -4.572 6.181 116 HB3 HIS 15 HB3 HIS 15 -1.370 -3.215 7.179 117 HD1 HIS 15 HD1 HIS 15 -4.022 -4.823 8.143 118 HD2 HIS 15 HD2 HIS 15 -0.062 -6.044 8.429 119 HE1 HIS 15 HE1 HIS 15 -3.970 -6.501 10.015 120 H ARG 16 H ARG 16 -2.191 -1.513 5.616 121 HA ARG 16 HA ARG 16 -1.516 -1.759 2.762 122 HB2 ARG 16 HB2 ARG 16 -2.453 0.475 2.372 123 HB3 ARG 16 HB3 ARG 16 -3.680 -0.643 2.953 124 HG2 ARG 16 HG2 ARG 16 -3.268 0.312 5.258 125 HG3 ARG 16 HG3 ARG 16 -2.331 1.576 4.459 126 HD2 ARG 16 HD2 ARG 16 -4.209 2.392 3.310 127 HD3 ARG 16 HD3 ARG 16 -5.145 0.934 3.635 128 HE ARG 16 HE ARG 16 -4.525 2.092 6.087 129 HH11 ARG 16 HH11 ARG 16 -6.371 2.848 3.234 130 HH12 ARG 16 HH12 ARG 16 -7.524 3.826 4.081 131 HH21 ARG 16 HH21 ARG 16 -6.036 3.378 7.213 132 HH22 ARG 16 HH22 ARG 16 -7.331 4.127 6.344 133 H ARG 17 H ARG 17 0.351 -2.000 4.795 134 HA ARG 17 HA ARG 17 2.138 0.151 4.124 135 HB2 ARG 17 HB2 ARG 17 0.713 0.144 6.672 136 HB3 ARG 17 HB3 ARG 17 2.460 0.176 6.872 137 HG2 ARG 17 HG2 ARG 17 0.892 2.105 5.174 138 HG3 ARG 17 HG3 ARG 17 1.442 2.419 6.822 139 HD2 ARG 17 HD2 ARG 17 3.778 1.753 5.827 140 HD3 ARG 17 HD3 ARG 17 3.015 2.190 4.299 141 HE ARG 17 HE ARG 17 2.687 4.191 6.320 142 HH11 ARG 17 HH11 ARG 17 4.846 2.943 3.891 143 HH12 ARG 17 HH12 ARG 17 5.678 4.447 3.672 144 HH21 ARG 17 HH21 ARG 17 3.774 6.177 6.040 145 HH22 ARG 17 HH22 ARG 17 5.068 6.285 4.895 146 H VAL 18 H VAL 18 4.222 -0.169 5.650 147 HA VAL 18 HA VAL 18 5.029 -2.915 5.168 148 HB VAL 18 HB VAL 18 6.525 -1.074 4.513 149 HG11 VAL 18 HG11 VAL 18 7.364 -0.528 7.286 150 HG12 VAL 18 HG12 VAL 18 7.256 0.553 5.896 151 HG13 VAL 18 HG13 VAL 18 5.804 0.140 6.808 152 HG21 VAL 18 HG21 VAL 18 8.556 -2.041 5.313 153 HG22 VAL 18 HG22 VAL 18 7.752 -2.692 6.741 154 HG23 VAL 18 HG23 VAL 18 7.379 -3.344 5.145 155 H ARG 19 H ARG 19 4.298 -0.819 7.857 156 HA ARG 19 HA ARG 19 4.510 -3.109 9.659 157 HB2 ARG 19 HB2 ARG 19 5.901 -0.463 10.062 158 HB3 ARG 19 HB3 ARG 19 5.576 -1.577 11.384 159 HG2 ARG 19 HG2 ARG 19 7.112 -3.114 10.654 160 HG3 ARG 19 HG3 ARG 19 7.008 -2.579 8.975 161 HD2 ARG 19 HD2 ARG 19 8.044 -0.383 9.854 162 HD3 ARG 19 HD3 ARG 19 8.490 -1.341 11.265 163 HE ARG 19 HE ARG 19 9.720 -1.405 8.693 164 HH11 ARG 19 HH11 ARG 19 8.948 -3.345 11.479 165 HH12 ARG 19 HH12 ARG 19 10.251 -4.458 11.227 166 HH21 ARG 19 HH21 ARG 19 11.439 -2.864 8.350 167 HH22 ARG 19 HH22 ARG 19 11.668 -4.184 9.447 168 H GLU 20 H GLU 20 2.173 -2.938 9.390 169 HA GLU 20 HA GLU 20 1.026 -0.806 11.070 170 HB2 GLU 20 HB2 GLU 20 0.463 -1.237 8.424 171 HB3 GLU 20 HB3 GLU 20 -0.810 -2.156 9.215 172 HG2 GLU 20 HG2 GLU 20 -0.331 0.568 10.240 173 HG3 GLU 20 HG3 GLU 20 -1.013 0.442 8.620 174 H SER 21 H SER 21 -0.765 -1.376 12.400 175 HA SER 21 HA SER 21 -1.297 -4.227 12.754 176 HB2 SER 21 HB2 SER 21 -0.618 -2.534 15.153 177 HB3 SER 21 HB3 SER 21 -0.727 -4.291 15.044 178 HG SER 21 HG SER 21 1.188 -4.356 13.990 179 HA PRO 22 HA PRO 22 -5.044 -1.487 13.077 180 HB2 PRO 22 HB2 PRO 22 -6.547 -2.932 11.338 181 HB3 PRO 22 HB3 PRO 22 -5.459 -1.638 10.822 182 HG2 PRO 22 HG2 PRO 22 -5.021 -4.599 10.807 183 HG3 PRO 22 HG3 PRO 22 -4.617 -3.402 9.563 184 HD2 PRO 22 HD2 PRO 22 -2.776 -4.392 11.285 185 HD3 PRO 22 HD3 PRO 22 -2.696 -2.736 10.650 186 H LEU 23 H LEU 23 -7.313 -2.208 13.619 187 HA LEU 23 HA LEU 23 -7.263 -3.984 15.800 188 HB2 LEU 23 HB2 LEU 23 -8.864 -2.080 15.412 189 HB3 LEU 23 HB3 LEU 23 -9.708 -3.122 14.269 190 HG LEU 23 HG LEU 23 -9.357 -4.356 16.887 191 HD11 LEU 23 HD11 LEU 23 -9.881 -2.622 18.174 192 HD12 LEU 23 HD12 LEU 23 -11.472 -2.641 17.416 193 HD13 LEU 23 HD13 LEU 23 -10.205 -1.594 16.779 194 HD21 LEU 23 HD21 LEU 23 -11.155 -5.431 16.155 195 HD22 LEU 23 HD22 LEU 23 -11.092 -4.464 14.681 196 HD23 LEU 23 HD23 LEU 23 -12.064 -3.923 16.050 197 H SER 24 H SER 24 -8.169 -4.404 12.433 198 HA SER 24 HA SER 24 -9.503 -6.837 12.577 199 HB2 SER 24 HB2 SER 24 -8.482 -7.162 10.204 200 HB3 SER 24 HB3 SER 24 -9.577 -5.807 10.481 201 HG SER 24 HG SER 24 -8.003 -4.501 10.033 202 H SER 25 H SER 25 -6.138 -6.115 12.937 203 HA SER 25 HA SER 25 -5.043 -8.639 12.351 204 HB2 SER 25 HB2 SER 25 -3.848 -6.376 12.752 205 HB3 SER 25 HB3 SER 25 -3.908 -6.814 14.459 206 HG SER 25 HG SER 25 -2.388 -8.233 14.137 207 H ASP 26 H ASP 26 -6.390 -7.280 15.313 208 HA ASP 26 HA ASP 26 -5.840 -9.743 16.773 209 HB2 ASP 26 HB2 ASP 26 -6.926 -8.454 18.683 210 HB3 ASP 26 HB3 ASP 26 -5.410 -7.805 18.065 211 H ALA 27 H ALA 27 -8.442 -8.098 15.187 212 HA ALA 27 HA ALA 27 -10.680 -9.167 16.406 213 HB1 ALA 27 HB1 ALA 27 -11.775 -8.932 14.162 214 HB2 ALA 27 HB2 ALA 27 -10.943 -7.488 14.741 215 HB3 ALA 27 HB3 ALA 27 -10.193 -8.504 13.510 216 H ILE 28 H ILE 28 -8.384 -10.697 14.278 217 HA ILE 28 HA ILE 28 -9.796 -12.871 13.336 218 HB ILE 28 HB ILE 28 -6.926 -12.863 14.281 219 HG12 ILE 28 HG12 ILE 28 -7.328 -11.129 12.620 220 HG13 ILE 28 HG13 ILE 28 -6.407 -12.443 11.895 221 HG21 ILE 28 HG21 ILE 28 -8.436 -14.753 12.487 222 HG22 ILE 28 HG22 ILE 28 -6.679 -14.715 12.624 223 HG23 ILE 28 HG23 ILE 28 -7.664 -15.121 14.029 224 HD11 ILE 28 HD11 ILE 28 -8.800 -13.274 11.190 225 HD12 ILE 28 HD12 ILE 28 -9.192 -11.565 11.381 226 HD13 ILE 28 HD13 ILE 28 -7.930 -12.059 10.253 227 H PHE 29 H PHE 29 -8.297 -12.417 16.501 228 HA PHE 29 HA PHE 29 -9.121 -15.066 17.370 229 HB2 PHE 29 HB2 PHE 29 -6.912 -13.998 18.019 230 HB3 PHE 29 HB3 PHE 29 -7.837 -12.908 19.047 231 HD1 PHE 29 HD1 PHE 29 -6.371 -16.168 18.720 232 HD2 PHE 29 HD2 PHE 29 -9.203 -13.873 20.917 233 HE1 PHE 29 HE1 PHE 29 -6.322 -17.840 20.525 234 HE2 PHE 29 HE2 PHE 29 -9.157 -15.540 22.725 235 HZ PHE 29 HZ PHE 29 -7.715 -17.527 22.531 236 H LYS 30 H LYS 30 -10.158 -11.769 17.602 237 HA LYS 30 HA LYS 30 -11.851 -12.068 19.871 238 HB2 LYS 30 HB2 LYS 30 -10.913 -9.916 18.660 239 HB3 LYS 30 HB3 LYS 30 -12.413 -10.039 17.749 240 HG2 LYS 30 HG2 LYS 30 -12.532 -10.156 20.719 241 HG3 LYS 30 HG3 LYS 30 -12.263 -8.599 19.933 242 HD2 LYS 30 HD2 LYS 30 -14.295 -9.347 18.453 243 HD3 LYS 30 HD3 LYS 30 -14.642 -10.400 19.827 244 HE2 LYS 30 HE2 LYS 30 -14.284 -7.406 19.953 245 HE3 LYS 30 HE3 LYS 30 -15.829 -8.254 19.978 246 HZ1 LYS 30 HZ1 LYS 30 -13.679 -8.516 22.011 247 HZ2 LYS 30 HZ2 LYS 30 -15.159 -9.335 22.035 248 HZ3 LYS 30 HZ3 LYS 30 -15.121 -7.652 22.204 249 H GLN 31 H GLN 31 -12.179 -12.770 16.495 250 HA GLN 31 HA GLN 31 -15.028 -12.832 16.418 251 HB2 GLN 31 HB2 GLN 31 -13.355 -12.657 14.455 252 HB3 GLN 31 HB3 GLN 31 -13.248 -14.408 14.578 253 HG2 GLN 31 HG2 GLN 31 -15.589 -14.641 14.119 254 HG3 GLN 31 HG3 GLN 31 -15.814 -12.893 14.169 255 HE21 GLN 31 HE21 GLN 31 -16.432 -14.723 12.024 256 HE22 GLN 31 HE22 GLN 31 -15.511 -14.209 10.655 257 H SER 32 H SER 32 -12.523 -15.170 17.157 258 HA SER 32 HA SER 32 -14.253 -17.446 17.132 259 HB2 SER 32 HB2 SER 32 -12.350 -18.607 18.222 260 HB3 SER 32 HB3 SER 32 -11.857 -17.722 16.778 261 HG SER 32 HG SER 32 -10.796 -16.299 17.986 262 H HIS 33 H HIS 33 -13.162 -15.162 19.563 263 HA HIS 33 HA HIS 33 -14.341 -16.641 21.745 264 HB2 HIS 33 HB2 HIS 33 -12.274 -15.056 21.806 265 HB3 HIS 33 HB3 HIS 33 -13.473 -13.773 21.929 266 HD1 HIS 33 HD1 HIS 33 -12.023 -16.649 23.831 267 HD2 HIS 33 HD2 HIS 33 -14.799 -13.608 24.384 268 HE1 HIS 33 HE1 HIS 33 -12.527 -16.639 26.295 Start of MODEL 13 1 H1 ASN 1 H ASN 1 -3.061 -3.739 1.202 2 HA ASN 1 HA ASN 1 -4.419 -3.266 -0.566 3 HB2 ASN 1 HB2 ASN 1 -5.252 -0.887 1.110 4 HB3 ASN 1 HB3 ASN 1 -6.049 -1.411 -0.371 5 HD21 ASN 1 HD21 ASN 1 -7.497 -1.185 1.894 6 HD22 ASN 1 HD22 ASN 1 -7.939 -2.747 2.486 7 H VAL 2 H VAL 2 -1.673 -2.247 -0.291 8 HA VAL 2 HA VAL 2 -1.815 0.142 -2.004 9 HB VAL 2 HB VAL 2 -0.506 0.548 -0.028 10 HG11 VAL 2 HG11 VAL 2 0.280 -2.162 -0.367 11 HG12 VAL 2 HG12 VAL 2 1.733 -1.160 -0.362 12 HG13 VAL 2 HG13 VAL 2 0.602 -1.083 0.990 13 HG21 VAL 2 HG21 VAL 2 1.647 0.118 -2.034 14 HG22 VAL 2 HG22 VAL 2 0.303 1.176 -2.463 15 HG23 VAL 2 HG23 VAL 2 1.289 1.535 -1.046 16 H ASP 3 H ASP 3 -1.513 -0.177 -4.098 17 HA ASP 3 HA ASP 3 0.657 -1.538 -5.213 18 HB2 ASP 3 HB2 ASP 3 -1.211 -3.358 -4.331 19 HB3 ASP 3 HB3 ASP 3 -1.646 -3.158 -6.026 20 H VAL 4 H VAL 4 0.633 -1.534 -7.543 21 HA VAL 4 HA VAL 4 -1.354 0.354 -8.624 22 HB VAL 4 HB VAL 4 0.293 1.032 -10.262 23 HG11 VAL 4 HG11 VAL 4 1.301 2.458 -8.857 24 HG12 VAL 4 HG12 VAL 4 0.374 1.635 -7.600 25 HG13 VAL 4 HG13 VAL 4 2.043 1.161 -7.921 26 HG21 VAL 4 HG21 VAL 4 1.790 -0.498 -10.895 27 HG22 VAL 4 HG22 VAL 4 2.713 -0.026 -9.469 28 HG23 VAL 4 HG23 VAL 4 1.619 -1.406 -9.394 29 H ARG 5 H ARG 5 -1.458 -2.649 -8.438 30 HA ARG 5 HA ARG 5 -2.300 -3.090 -11.183 31 HB2 ARG 5 HB2 ARG 5 -0.296 -4.901 -9.823 32 HB3 ARG 5 HB3 ARG 5 -1.083 -5.228 -11.361 33 HG2 ARG 5 HG2 ARG 5 0.002 -3.311 -12.363 34 HG3 ARG 5 HG3 ARG 5 0.734 -2.891 -10.812 35 HD2 ARG 5 HD2 ARG 5 1.527 -5.471 -11.085 36 HD3 ARG 5 HD3 ARG 5 1.486 -4.952 -12.769 37 HE ARG 5 HE ARG 5 3.331 -4.094 -10.729 38 HH11 ARG 5 HH11 ARG 5 1.876 -3.345 -13.802 39 HH12 ARG 5 HH12 ARG 5 3.166 -2.303 -14.306 40 HH21 ARG 5 HH21 ARG 5 5.035 -2.725 -11.381 41 HH22 ARG 5 HH22 ARG 5 4.962 -1.952 -12.928 42 H TYR 6 H TYR 6 -4.381 -3.518 -10.755 43 HA TYR 6 HA TYR 6 -5.005 -5.917 -9.251 44 HB2 TYR 6 HB2 TYR 6 -6.668 -4.818 -7.820 45 HB3 TYR 6 HB3 TYR 6 -5.053 -4.188 -7.513 46 HD1 TYR 6 HD1 TYR 6 -4.509 -1.897 -7.966 47 HD2 TYR 6 HD2 TYR 6 -8.332 -3.444 -9.015 48 HE1 TYR 6 HE1 TYR 6 -5.326 0.392 -8.341 49 HE2 TYR 6 HE2 TYR 6 -9.159 -1.159 -9.394 50 HH TYR 6 HH TYR 6 -8.653 1.000 -9.430 51 H THR 7 H THR 7 -6.909 -6.879 -9.881 52 HA THR 7 HA THR 7 -8.669 -5.455 -11.725 53 HB THR 7 HB THR 7 -8.634 -7.600 -13.190 54 HG1 THR 7 HG1 THR 7 -6.668 -8.703 -13.145 55 HG21 THR 7 HG21 THR 7 -7.210 -6.551 -14.695 56 HG22 THR 7 HG22 THR 7 -6.133 -5.968 -13.425 57 HG23 THR 7 HG23 THR 7 -7.710 -5.214 -13.659 58 H TYR 8 H TYR 8 -8.778 -6.635 -8.972 59 HA TYR 8 HA TYR 8 -11.397 -7.670 -9.099 60 HB2 TYR 8 HB2 TYR 8 -11.036 -9.974 -8.445 61 HB3 TYR 8 HB3 TYR 8 -10.191 -9.666 -9.958 62 HD1 TYR 8 HD1 TYR 8 -9.907 -11.051 -6.736 63 HD2 TYR 8 HD2 TYR 8 -7.662 -8.980 -9.698 64 HE1 TYR 8 HE1 TYR 8 -7.823 -11.890 -5.734 65 HE2 TYR 8 HE2 TYR 8 -5.572 -9.814 -8.705 66 HH TYR 8 HH TYR 8 -5.593 -12.144 -6.065 67 H ARG 9 H ARG 9 -11.606 -9.103 -6.798 68 HA ARG 9 HA ARG 9 -10.632 -7.195 -4.779 69 HB2 ARG 9 HB2 ARG 9 -13.097 -7.318 -5.078 70 HB3 ARG 9 HB3 ARG 9 -13.039 -9.017 -4.629 71 HG2 ARG 9 HG2 ARG 9 -12.230 -8.436 -2.420 72 HG3 ARG 9 HG3 ARG 9 -12.198 -6.728 -2.864 73 HD2 ARG 9 HD2 ARG 9 -14.200 -6.980 -1.684 74 HD3 ARG 9 HD3 ARG 9 -14.687 -7.002 -3.378 75 HE ARG 9 HE ARG 9 -14.202 -9.615 -2.287 76 HH11 ARG 9 HH11 ARG 9 -16.545 -7.071 -2.682 77 HH12 ARG 9 HH12 ARG 9 -17.911 -8.125 -2.521 78 HH21 ARG 9 HH21 ARG 9 -15.991 -11.013 -2.073 79 HH22 ARG 9 HH22 ARG 9 -17.594 -10.367 -2.174 80 HA PRO 10 HA PRO 10 -8.366 -11.086 -3.836 81 HB2 PRO 10 HB2 PRO 10 -6.129 -9.818 -2.964 82 HB3 PRO 10 HB3 PRO 10 -6.432 -10.167 -4.670 83 HG2 PRO 10 HG2 PRO 10 -6.837 -7.615 -3.158 84 HG3 PRO 10 HG3 PRO 10 -6.147 -7.861 -4.772 85 HD2 PRO 10 HD2 PRO 10 -8.697 -7.038 -4.389 86 HD3 PRO 10 HD3 PRO 10 -8.217 -8.049 -5.767 87 H SER 11 H SER 11 -7.470 -11.837 -1.778 88 HA SER 11 HA SER 11 -9.030 -10.846 0.441 89 HB2 SER 11 HB2 SER 11 -7.340 -13.245 -0.088 90 HB3 SER 11 HB3 SER 11 -7.588 -12.771 1.593 91 HG SER 11 HG SER 11 -9.200 -14.221 0.878 92 H VAL 12 H VAL 12 -8.005 -8.745 0.584 93 HA VAL 12 HA VAL 12 -5.239 -8.547 1.328 94 HB VAL 12 HB VAL 12 -5.798 -6.156 1.812 95 HG11 VAL 12 HG11 VAL 12 -6.068 -5.528 -0.490 96 HG12 VAL 12 HG12 VAL 12 -5.060 -6.975 -0.418 97 HG13 VAL 12 HG13 VAL 12 -6.756 -7.103 -0.885 98 HG21 VAL 12 HG21 VAL 12 -7.902 -5.531 2.142 99 HG22 VAL 12 HG22 VAL 12 -8.325 -6.045 0.509 100 HG23 VAL 12 HG23 VAL 12 -8.438 -7.185 1.850 101 HA PRO 13 HA PRO 13 -5.516 -9.059 5.680 102 HB2 PRO 13 HB2 PRO 13 -3.584 -7.349 6.526 103 HB3 PRO 13 HB3 PRO 13 -3.226 -8.882 5.723 104 HG2 PRO 13 HG2 PRO 13 -3.287 -6.115 4.582 105 HG3 PRO 13 HG3 PRO 13 -2.110 -7.412 4.308 106 HD2 PRO 13 HD2 PRO 13 -4.085 -6.840 2.546 107 HD3 PRO 13 HD3 PRO 13 -3.460 -8.486 2.779 108 H ALA 14 H ALA 14 -5.906 -7.909 7.725 109 HA ALA 14 HA ALA 14 -8.043 -6.172 7.636 110 HB1 ALA 14 HB1 ALA 14 -6.014 -6.690 9.789 111 HB2 ALA 14 HB2 ALA 14 -7.387 -5.608 10.030 112 HB3 ALA 14 HB3 ALA 14 -7.661 -7.309 9.655 113 H HIS 15 H HIS 15 -4.635 -5.457 7.475 114 HA HIS 15 HA HIS 15 -5.252 -2.577 7.449 115 HB2 HIS 15 HB2 HIS 15 -2.668 -2.433 7.787 116 HB3 HIS 15 HB3 HIS 15 -3.700 -2.824 9.160 117 HD1 HIS 15 HD1 HIS 15 -3.802 -5.429 9.802 118 HD2 HIS 15 HD2 HIS 15 -0.757 -4.298 7.211 119 HE1 HIS 15 HE1 HIS 15 -2.146 -7.322 9.843 120 H ARG 16 H ARG 16 -3.210 -1.475 6.183 121 HA ARG 16 HA ARG 16 -2.995 -2.842 3.587 122 HB2 ARG 16 HB2 ARG 16 -3.309 -0.681 2.452 123 HB3 ARG 16 HB3 ARG 16 -4.724 -1.139 3.390 124 HG2 ARG 16 HG2 ARG 16 -3.788 0.345 5.232 125 HG3 ARG 16 HG3 ARG 16 -2.682 0.968 4.006 126 HD2 ARG 16 HD2 ARG 16 -4.400 2.472 3.818 127 HD3 ARG 16 HD3 ARG 16 -4.895 1.270 2.626 128 HE ARG 16 HE ARG 16 -6.682 0.719 3.959 129 HH11 ARG 16 HH11 ARG 16 -4.447 2.692 5.758 130 HH12 ARG 16 HH12 ARG 16 -5.522 2.917 7.098 131 HH21 ARG 16 HH21 ARG 16 -8.106 1.009 5.717 132 HH22 ARG 16 HH22 ARG 16 -7.603 1.959 7.074 133 H ARG 17 H ARG 17 -1.046 -2.892 5.592 134 HA ARG 17 HA ARG 17 1.133 -1.546 4.198 135 HB2 ARG 17 HB2 ARG 17 0.297 -1.003 7.008 136 HB3 ARG 17 HB3 ARG 17 2.019 -1.049 6.653 137 HG2 ARG 17 HG2 ARG 17 0.050 0.683 5.178 138 HG3 ARG 17 HG3 ARG 17 0.996 1.219 6.568 139 HD2 ARG 17 HD2 ARG 17 2.477 -0.050 4.341 140 HD3 ARG 17 HD3 ARG 17 1.801 1.550 4.040 141 HE ARG 17 HE ARG 17 3.080 1.817 6.424 142 HH11 ARG 17 HH11 ARG 17 4.024 0.697 3.266 143 HH12 ARG 17 HH12 ARG 17 5.672 1.204 3.435 144 HH21 ARG 17 HH21 ARG 17 5.247 2.489 6.659 145 HH22 ARG 17 HH22 ARG 17 6.367 2.223 5.366 146 H VAL 18 H VAL 18 3.290 -2.212 5.420 147 HA VAL 18 HA VAL 18 3.243 -5.122 5.485 148 HB VAL 18 HB VAL 18 4.945 -3.989 4.115 149 HG11 VAL 18 HG11 VAL 18 6.059 -3.003 6.739 150 HG12 VAL 18 HG12 VAL 18 6.770 -2.766 5.141 151 HG13 VAL 18 HG13 VAL 18 5.230 -2.005 5.545 152 HG21 VAL 18 HG21 VAL 18 5.265 -6.199 5.597 153 HG22 VAL 18 HG22 VAL 18 6.511 -5.578 4.513 154 HG23 VAL 18 HG23 VAL 18 6.588 -5.225 6.240 155 H ARG 19 H ARG 19 3.608 -2.429 7.634 156 HA ARG 19 HA ARG 19 3.945 -4.306 9.868 157 HB2 ARG 19 HB2 ARG 19 5.368 -2.500 10.971 158 HB3 ARG 19 HB3 ARG 19 6.119 -3.416 9.671 159 HG2 ARG 19 HG2 ARG 19 6.051 -1.632 8.197 160 HG3 ARG 19 HG3 ARG 19 4.777 -0.808 9.099 161 HD2 ARG 19 HD2 ARG 19 6.670 0.437 9.607 162 HD3 ARG 19 HD3 ARG 19 6.527 -0.651 10.987 163 HE ARG 19 HE ARG 19 8.181 -1.824 9.035 164 HH11 ARG 19 HH11 ARG 19 8.162 0.777 11.349 165 HH12 ARG 19 HH12 ARG 19 9.880 0.762 11.576 166 HH21 ARG 19 HH21 ARG 19 10.443 -1.855 9.326 167 HH22 ARG 19 HH22 ARG 19 11.176 -0.735 10.424 168 H GLU 20 H GLU 20 1.554 -3.927 9.794 169 HA GLU 20 HA GLU 20 0.900 -1.627 11.495 170 HB2 GLU 20 HB2 GLU 20 0.263 -1.394 8.971 171 HB3 GLU 20 HB3 GLU 20 -1.030 -2.513 9.379 172 HG2 GLU 20 HG2 GLU 20 -1.772 -0.943 11.141 173 HG3 GLU 20 HG3 GLU 20 -0.539 0.194 10.598 174 H SER 21 H SER 21 -1.040 -1.906 12.766 175 HA SER 21 HA SER 21 -2.269 -4.514 12.888 176 HB2 SER 21 HB2 SER 21 -0.909 -3.620 15.414 177 HB3 SER 21 HB3 SER 21 -1.483 -5.228 14.970 178 HG SER 21 HG SER 21 0.259 -5.507 13.682 179 HA PRO 22 HA PRO 22 -4.900 -0.908 14.176 180 HB2 PRO 22 HB2 PRO 22 -6.977 -1.543 12.547 181 HB3 PRO 22 HB3 PRO 22 -5.608 -0.558 12.018 182 HG2 PRO 22 HG2 PRO 22 -6.126 -3.473 11.576 183 HG3 PRO 22 HG3 PRO 22 -5.518 -2.259 10.435 184 HD2 PRO 22 HD2 PRO 22 -3.889 -4.014 11.700 185 HD3 PRO 22 HD3 PRO 22 -3.370 -2.373 11.263 186 H LEU 23 H LEU 23 -7.421 -1.146 14.664 187 HA LEU 23 HA LEU 23 -7.644 -2.970 16.792 188 HB2 LEU 23 HB2 LEU 23 -8.880 -0.797 16.503 189 HB3 LEU 23 HB3 LEU 23 -9.926 -1.632 15.356 190 HG LEU 23 HG LEU 23 -9.745 -2.993 17.928 191 HD11 LEU 23 HD11 LEU 23 -9.916 -1.236 19.277 192 HD12 LEU 23 HD12 LEU 23 -11.502 -0.942 18.564 193 HD13 LEU 23 HD13 LEU 23 -10.080 -0.121 17.920 194 HD21 LEU 23 HD21 LEU 23 -11.724 -3.701 17.217 195 HD22 LEU 23 HD22 LEU 23 -11.520 -2.714 15.769 196 HD23 LEU 23 HD23 LEU 23 -12.347 -2.052 17.180 197 H SER 24 H SER 24 -9.068 -2.992 13.538 198 HA SER 24 HA SER 24 -10.594 -5.304 13.768 199 HB2 SER 24 HB2 SER 24 -9.978 -5.465 11.190 200 HB3 SER 24 HB3 SER 24 -11.036 -4.192 11.800 201 HG SER 24 HG SER 24 -9.509 -3.189 10.569 202 H SER 25 H SER 25 -7.165 -4.908 13.426 203 HA SER 25 HA SER 25 -6.497 -7.463 12.456 204 HB2 SER 25 HB2 SER 25 -5.004 -5.374 12.686 205 HB3 SER 25 HB3 SER 25 -4.755 -5.897 14.352 206 HG SER 25 HG SER 25 -4.270 -7.519 12.074 207 H ASP 26 H ASP 26 -6.800 -6.214 15.762 208 HA ASP 26 HA ASP 26 -6.123 -8.708 16.988 209 HB2 ASP 26 HB2 ASP 26 -7.485 -6.265 18.143 210 HB3 ASP 26 HB3 ASP 26 -6.860 -7.619 19.080 211 H ALA 27 H ALA 27 -9.050 -7.219 15.855 212 HA ALA 27 HA ALA 27 -10.977 -8.593 17.311 213 HB1 ALA 27 HB1 ALA 27 -11.824 -8.328 14.585 214 HB2 ALA 27 HB2 ALA 27 -12.340 -7.423 16.008 215 HB3 ALA 27 HB3 ALA 27 -10.937 -6.887 15.083 216 H ILE 28 H ILE 28 -8.905 -9.694 14.749 217 HA ILE 28 HA ILE 28 -10.267 -11.875 13.751 218 HB ILE 28 HB ILE 28 -7.307 -11.740 14.340 219 HG12 ILE 28 HG12 ILE 28 -8.068 -9.850 12.976 220 HG13 ILE 28 HG13 ILE 28 -7.097 -10.962 12.016 221 HG21 ILE 28 HG21 ILE 28 -7.976 -13.231 12.000 222 HG22 ILE 28 HG22 ILE 28 -7.135 -13.765 13.454 223 HG23 ILE 28 HG23 ILE 28 -8.894 -13.859 13.369 224 HD11 ILE 28 HD11 ILE 28 -8.732 -11.069 10.539 225 HD12 ILE 28 HD12 ILE 28 -9.786 -11.772 11.766 226 HD13 ILE 28 HD13 ILE 28 -9.735 -10.023 11.544 227 H PHE 29 H PHE 29 -8.382 -11.628 16.730 228 HA PHE 29 HA PHE 29 -8.836 -14.408 17.394 229 HB2 PHE 29 HB2 PHE 29 -6.779 -12.858 17.983 230 HB3 PHE 29 HB3 PHE 29 -7.775 -12.434 19.372 231 HD1 PHE 29 HD1 PHE 29 -5.654 -14.927 17.861 232 HD2 PHE 29 HD2 PHE 29 -8.474 -14.209 20.967 233 HE1 PHE 29 HE1 PHE 29 -4.891 -16.960 19.019 234 HE2 PHE 29 HE2 PHE 29 -7.715 -16.239 22.131 235 HZ PHE 29 HZ PHE 29 -5.921 -17.617 21.158 236 H LYS 30 H LYS 30 -10.260 -11.324 18.056 237 HA LYS 30 HA LYS 30 -11.571 -11.763 20.452 238 HB2 LYS 30 HB2 LYS 30 -11.524 -9.611 19.202 239 HB3 LYS 30 HB3 LYS 30 -12.678 -10.284 18.058 240 HG2 LYS 30 HG2 LYS 30 -14.106 -9.159 19.417 241 HG3 LYS 30 HG3 LYS 30 -14.076 -10.712 20.255 242 HD2 LYS 30 HD2 LYS 30 -11.999 -8.759 21.034 243 HD3 LYS 30 HD3 LYS 30 -13.658 -8.358 21.483 244 HE2 LYS 30 HE2 LYS 30 -12.646 -11.108 22.020 245 HE3 LYS 30 HE3 LYS 30 -12.121 -9.792 23.069 246 HZ1 LYS 30 HZ1 LYS 30 -14.288 -11.153 23.571 247 HZ2 LYS 30 HZ2 LYS 30 -14.981 -10.042 22.500 248 HZ3 LYS 30 HZ3 LYS 30 -14.204 -9.495 23.899 249 H GLN 31 H GLN 31 -12.251 -13.047 17.291 250 HA GLN 31 HA GLN 31 -14.915 -13.827 17.644 251 HB2 GLN 31 HB2 GLN 31 -13.709 -13.853 15.477 252 HB3 GLN 31 HB3 GLN 31 -12.783 -15.240 16.034 253 HG2 GLN 31 HG2 GLN 31 -14.541 -15.997 14.600 254 HG3 GLN 31 HG3 GLN 31 -14.885 -16.513 16.251 255 HE21 GLN 31 HE21 GLN 31 -15.860 -14.516 13.609 256 HE22 GLN 31 HE22 GLN 31 -17.375 -14.014 14.269 257 H SER 32 H SER 32 -11.929 -15.238 18.763 258 HA SER 32 HA SER 32 -13.080 -17.763 19.492 259 HB2 SER 32 HB2 SER 32 -10.435 -16.428 20.025 260 HB3 SER 32 HB3 SER 32 -10.868 -17.940 20.824 261 HG SER 32 HG SER 32 -10.477 -18.958 19.034 262 H HIS 33 H HIS 33 -12.185 -14.802 21.215 263 HA HIS 33 HA HIS 33 -13.208 -15.854 23.722 264 HB2 HIS 33 HB2 HIS 33 -11.825 -13.305 22.926 265 HB3 HIS 33 HB3 HIS 33 -12.598 -13.463 24.500 266 HD1 HIS 33 HD1 HIS 33 -9.426 -13.856 22.964 267 HD2 HIS 33 HD2 HIS 33 -11.530 -15.958 25.866 268 HE1 HIS 33 HE1 HIS 33 -7.701 -15.205 24.201 Start of MODEL 14 1 H1 ASN 1 H ASN 1 -3.467 0.806 0.680 2 HA ASN 1 HA ASN 1 -3.059 -0.973 -1.307 3 HB2 ASN 1 HB2 ASN 1 -2.932 0.860 -2.865 4 HB3 ASN 1 HB3 ASN 1 -4.027 1.322 -1.565 5 HD21 ASN 1 HD21 ASN 1 -2.641 3.060 -3.358 6 HD22 ASN 1 HD22 ASN 1 -1.608 4.061 -2.402 7 H VAL 2 H VAL 2 -0.873 -1.221 0.564 8 HA VAL 2 HA VAL 2 1.484 -0.508 -1.014 9 HB VAL 2 HB VAL 2 2.770 -1.352 0.943 10 HG11 VAL 2 HG11 VAL 2 1.732 1.047 0.601 11 HG12 VAL 2 HG12 VAL 2 0.819 0.605 2.045 12 HG13 VAL 2 HG13 VAL 2 2.582 0.621 2.086 13 HG21 VAL 2 HG21 VAL 2 0.241 -1.406 2.526 14 HG22 VAL 2 HG22 VAL 2 0.727 -2.840 1.622 15 HG23 VAL 2 HG23 VAL 2 1.793 -2.175 2.859 16 H ASP 3 H ASP 3 -0.185 -2.449 -2.158 17 HA ASP 3 HA ASP 3 1.701 -4.550 -2.583 18 HB2 ASP 3 HB2 ASP 3 0.430 -5.167 -0.418 19 HB3 ASP 3 HB3 ASP 3 -0.936 -5.486 -1.482 20 H VAL 4 H VAL 4 1.066 -5.987 -4.309 21 HA VAL 4 HA VAL 4 -1.239 -5.037 -5.874 22 HB VAL 4 HB VAL 4 0.990 -4.164 -6.730 23 HG11 VAL 4 HG11 VAL 4 2.548 -5.566 -7.704 24 HG12 VAL 4 HG12 VAL 4 2.046 -6.499 -6.293 25 HG13 VAL 4 HG13 VAL 4 1.397 -6.890 -7.886 26 HG21 VAL 4 HG21 VAL 4 -0.464 -3.887 -8.413 27 HG22 VAL 4 HG22 VAL 4 0.330 -5.290 -9.128 28 HG23 VAL 4 HG23 VAL 4 -1.159 -5.495 -8.205 29 H ARG 5 H ARG 5 -0.710 -7.407 -4.115 30 HA ARG 5 HA ARG 5 -1.251 -9.500 -6.119 31 HB2 ARG 5 HB2 ARG 5 0.933 -9.619 -4.717 32 HB3 ARG 5 HB3 ARG 5 -0.128 -10.098 -3.399 33 HG2 ARG 5 HG2 ARG 5 -0.995 -11.896 -5.003 34 HG3 ARG 5 HG3 ARG 5 0.439 -11.532 -5.966 35 HD2 ARG 5 HD2 ARG 5 0.471 -12.321 -3.055 36 HD3 ARG 5 HD3 ARG 5 0.753 -13.428 -4.398 37 HE ARG 5 HE ARG 5 2.572 -11.459 -4.805 38 HH11 ARG 5 HH11 ARG 5 1.785 -13.495 -2.093 39 HH12 ARG 5 HH12 ARG 5 3.399 -13.503 -1.464 40 HH21 ARG 5 HH21 ARG 5 4.700 -11.460 -3.986 41 HH22 ARG 5 HH22 ARG 5 5.056 -12.344 -2.540 42 H TYR 6 H TYR 6 -3.447 -9.515 -6.089 43 HA TYR 6 HA TYR 6 -4.703 -10.372 -3.586 44 HB2 TYR 6 HB2 TYR 6 -6.586 -8.843 -3.916 45 HB3 TYR 6 HB3 TYR 6 -5.080 -7.949 -3.743 46 HD1 TYR 6 HD1 TYR 6 -4.201 -6.637 -5.551 47 HD2 TYR 6 HD2 TYR 6 -7.697 -8.996 -6.108 48 HE1 TYR 6 HE1 TYR 6 -4.649 -5.462 -7.665 49 HE2 TYR 6 HE2 TYR 6 -8.154 -7.829 -8.224 50 HH TYR 6 HH TYR 6 -6.269 -5.054 -9.237 51 H THR 7 H THR 7 -6.742 -11.456 -3.883 52 HA THR 7 HA THR 7 -7.160 -12.458 -6.623 53 HB THR 7 HB THR 7 -8.031 -14.445 -4.799 54 HG1 THR 7 HG1 THR 7 -5.338 -13.623 -4.340 55 HG21 THR 7 HG21 THR 7 -6.015 -14.158 -6.960 56 HG22 THR 7 HG22 THR 7 -7.359 -15.290 -6.809 57 HG23 THR 7 HG23 THR 7 -5.874 -15.558 -5.898 58 H TYR 8 H TYR 8 -8.484 -10.392 -4.795 59 HA TYR 8 HA TYR 8 -11.134 -10.821 -5.651 60 HB2 TYR 8 HB2 TYR 8 -12.258 -11.252 -3.550 61 HB3 TYR 8 HB3 TYR 8 -11.076 -12.523 -3.842 62 HD1 TYR 8 HD1 TYR 8 -12.315 -10.234 -1.472 63 HD2 TYR 8 HD2 TYR 8 -8.722 -12.132 -2.734 64 HE1 TYR 8 HE1 TYR 8 -11.321 -9.807 0.737 65 HE2 TYR 8 HE2 TYR 8 -7.718 -11.711 -0.528 66 HH TYR 8 HH TYR 8 -9.504 -10.788 2.159 67 H ARG 9 H ARG 9 -12.599 -9.363 -3.888 68 HA ARG 9 HA ARG 9 -11.207 -6.770 -3.904 69 HB2 ARG 9 HB2 ARG 9 -13.231 -7.038 -5.379 70 HB3 ARG 9 HB3 ARG 9 -14.190 -7.239 -3.918 71 HG2 ARG 9 HG2 ARG 9 -14.465 -5.000 -4.477 72 HG3 ARG 9 HG3 ARG 9 -13.240 -4.973 -3.206 73 HD2 ARG 9 HD2 ARG 9 -12.423 -3.518 -4.851 74 HD3 ARG 9 HD3 ARG 9 -11.526 -5.016 -5.094 75 HE ARG 9 HE ARG 9 -12.489 -5.206 -7.157 76 HH11 ARG 9 HH11 ARG 9 -14.336 -2.951 -5.253 77 HH12 ARG 9 HH12 ARG 9 -15.357 -2.475 -6.570 78 HH21 ARG 9 HH21 ARG 9 -13.826 -4.587 -8.898 79 HH22 ARG 9 HH22 ARG 9 -15.066 -3.407 -8.643 80 HA PRO 10 HA PRO 10 -11.743 -7.729 0.563 81 HB2 PRO 10 HB2 PRO 10 -9.438 -6.509 1.316 82 HB3 PRO 10 HB3 PRO 10 -9.497 -8.179 0.740 83 HG2 PRO 10 HG2 PRO 10 -8.748 -5.689 -0.743 84 HG3 PRO 10 HG3 PRO 10 -7.971 -7.283 -0.769 85 HD2 PRO 10 HD2 PRO 10 -9.652 -6.449 -2.722 86 HD3 PRO 10 HD3 PRO 10 -9.520 -8.152 -2.239 87 H SER 11 H SER 11 -11.893 -6.251 2.406 88 HA SER 11 HA SER 11 -12.633 -3.535 1.543 89 HB2 SER 11 HB2 SER 11 -13.846 -5.459 3.443 90 HB3 SER 11 HB3 SER 11 -13.856 -3.768 3.941 91 HG SER 11 HG SER 11 -15.347 -3.390 2.517 92 H VAL 12 H VAL 12 -11.228 -5.352 4.256 93 HA VAL 12 HA VAL 12 -9.494 -3.056 4.813 94 HB VAL 12 HB VAL 12 -9.828 -3.522 7.296 95 HG11 VAL 12 HG11 VAL 12 -10.648 -1.501 6.247 96 HG12 VAL 12 HG12 VAL 12 -12.095 -2.344 5.691 97 HG13 VAL 12 HG13 VAL 12 -11.830 -2.088 7.416 98 HG21 VAL 12 HG21 VAL 12 -12.567 -4.405 6.886 99 HG22 VAL 12 HG22 VAL 12 -11.384 -5.601 6.359 100 HG23 VAL 12 HG23 VAL 12 -11.346 -4.994 8.014 101 HA PRO 13 HA PRO 13 -6.967 -6.854 4.653 102 HB2 PRO 13 HB2 PRO 13 -4.730 -5.571 3.806 103 HB3 PRO 13 HB3 PRO 13 -6.017 -6.083 2.709 104 HG2 PRO 13 HG2 PRO 13 -5.493 -3.379 3.882 105 HG3 PRO 13 HG3 PRO 13 -5.952 -3.809 2.225 106 HD2 PRO 13 HD2 PRO 13 -7.736 -2.876 4.035 107 HD3 PRO 13 HD3 PRO 13 -8.181 -4.036 2.767 108 H ALA 14 H ALA 14 -4.946 -7.413 5.757 109 HA ALA 14 HA ALA 14 -4.886 -6.666 8.420 110 HB1 ALA 14 HB1 ALA 14 -2.562 -7.727 6.817 111 HB2 ALA 14 HB2 ALA 14 -2.760 -7.812 8.568 112 HB3 ALA 14 HB3 ALA 14 -3.851 -8.710 7.513 113 H HIS 15 H HIS 15 -2.838 -5.494 5.762 114 HA HIS 15 HA HIS 15 -2.395 -3.022 7.243 115 HB2 HIS 15 HB2 HIS 15 -0.070 -4.556 6.073 116 HB3 HIS 15 HB3 HIS 15 -0.004 -3.075 7.023 117 HD1 HIS 15 HD1 HIS 15 -0.839 -6.745 7.416 118 HD2 HIS 15 HD2 HIS 15 0.190 -3.448 9.725 119 HE1 HIS 15 HE1 HIS 15 -0.462 -7.640 9.735 120 H ARG 16 H ARG 16 -2.426 -1.279 5.955 121 HA ARG 16 HA ARG 16 -2.033 -1.668 3.066 122 HB2 ARG 16 HB2 ARG 16 -3.905 -0.175 2.597 123 HB3 ARG 16 HB3 ARG 16 -4.442 -1.566 3.530 124 HG2 ARG 16 HG2 ARG 16 -3.689 0.887 5.018 125 HG3 ARG 16 HG3 ARG 16 -5.201 0.898 4.109 126 HD2 ARG 16 HD2 ARG 16 -4.672 -1.474 5.796 127 HD3 ARG 16 HD3 ARG 16 -5.017 0.037 6.637 128 HE ARG 16 HE ARG 16 -6.879 -1.598 5.249 129 HH11 ARG 16 HH11 ARG 16 -6.109 1.716 5.985 130 HH12 ARG 16 HH12 ARG 16 -7.747 2.264 5.844 131 HH21 ARG 16 HH21 ARG 16 -9.038 -0.889 5.060 132 HH22 ARG 16 HH22 ARG 16 -9.412 0.781 5.318 133 H ARG 17 H ARG 17 -0.087 -0.744 4.852 134 HA ARG 17 HA ARG 17 0.380 1.903 3.744 135 HB2 ARG 17 HB2 ARG 17 -0.110 1.356 6.620 136 HB3 ARG 17 HB3 ARG 17 1.213 2.449 6.237 137 HG2 ARG 17 HG2 ARG 17 -1.614 2.786 5.261 138 HG3 ARG 17 HG3 ARG 17 -0.931 3.597 6.671 139 HD2 ARG 17 HD2 ARG 17 0.641 3.845 4.200 140 HD3 ARG 17 HD3 ARG 17 -0.942 4.621 4.159 141 HE ARG 17 HE ARG 17 0.181 5.420 6.526 142 HH11 ARG 17 HH11 ARG 17 1.067 5.599 3.165 143 HH12 ARG 17 HH12 ARG 17 1.956 7.075 3.343 144 HH21 ARG 17 HH21 ARG 17 1.349 7.363 6.774 145 HH22 ARG 17 HH22 ARG 17 2.117 8.077 5.397 146 H VAL 18 H VAL 18 2.647 2.683 4.618 147 HA VAL 18 HA VAL 18 4.505 0.607 3.882 148 HB VAL 18 HB VAL 18 4.810 2.919 3.089 149 HG11 VAL 18 HG11 VAL 18 5.844 3.815 5.714 150 HG12 VAL 18 HG12 VAL 18 5.055 4.733 4.431 151 HG13 VAL 18 HG13 VAL 18 4.092 3.741 5.526 152 HG21 VAL 18 HG21 VAL 18 7.161 2.990 3.330 153 HG22 VAL 18 HG22 VAL 18 7.102 2.168 4.890 154 HG23 VAL 18 HG23 VAL 18 6.716 1.285 3.412 155 H ARG 19 H ARG 19 3.429 2.139 6.811 156 HA ARG 19 HA ARG 19 5.150 0.330 8.345 157 HB2 ARG 19 HB2 ARG 19 4.872 3.301 8.810 158 HB3 ARG 19 HB3 ARG 19 5.542 2.189 9.996 159 HG2 ARG 19 HG2 ARG 19 6.661 2.469 7.223 160 HG3 ARG 19 HG3 ARG 19 7.200 3.457 8.582 161 HD2 ARG 19 HD2 ARG 19 8.181 1.679 9.662 162 HD3 ARG 19 HD3 ARG 19 7.130 0.494 8.887 163 HE ARG 19 HE ARG 19 8.699 1.617 6.893 164 HH11 ARG 19 HH11 ARG 19 9.141 -0.283 9.776 165 HH12 ARG 19 HH12 ARG 19 10.567 -1.075 9.192 166 HH21 ARG 19 HH21 ARG 19 10.575 0.582 6.113 167 HH22 ARG 19 HH22 ARG 19 11.383 -0.582 7.108 168 H GLU 20 H GLU 20 2.457 -0.041 7.750 169 HA GLU 20 HA GLU 20 0.669 0.952 9.672 170 HB2 GLU 20 HB2 GLU 20 0.288 -0.424 7.455 171 HB3 GLU 20 HB3 GLU 20 0.326 -1.798 8.552 172 HG2 GLU 20 HG2 GLU 20 -1.932 -1.257 8.351 173 HG3 GLU 20 HG3 GLU 20 -1.445 -0.570 9.899 174 H SER 21 H SER 21 -0.321 -0.181 11.462 175 HA SER 21 HA SER 21 0.864 -2.497 12.608 176 HB2 SER 21 HB2 SER 21 1.858 -1.437 14.600 177 HB3 SER 21 HB3 SER 21 2.676 -0.926 13.124 178 HG SER 21 HG SER 21 2.261 0.865 14.428 179 HA PRO 22 HA PRO 22 -3.413 -1.246 13.989 180 HB2 PRO 22 HB2 PRO 22 -4.610 -3.556 13.214 181 HB3 PRO 22 HB3 PRO 22 -4.402 -2.172 12.134 182 HG2 PRO 22 HG2 PRO 22 -2.767 -4.671 12.348 183 HG3 PRO 22 HG3 PRO 22 -3.324 -3.819 10.896 184 HD2 PRO 22 HD2 PRO 22 -0.803 -3.573 11.852 185 HD3 PRO 22 HD3 PRO 22 -1.641 -2.249 11.018 186 H LEU 23 H LEU 23 -4.637 -2.146 15.721 187 HA LEU 23 HA LEU 23 -3.086 -4.020 17.366 188 HB2 LEU 23 HB2 LEU 23 -4.922 -1.762 17.960 189 HB3 LEU 23 HB3 LEU 23 -4.856 -3.096 19.110 190 HG LEU 23 HG LEU 23 -3.395 -1.310 19.824 191 HD11 LEU 23 HD11 LEU 23 -2.735 -3.691 20.171 192 HD12 LEU 23 HD12 LEU 23 -1.386 -2.555 20.153 193 HD13 LEU 23 HD13 LEU 23 -1.712 -3.560 18.741 194 HD21 LEU 23 HD21 LEU 23 -2.189 -0.076 18.426 195 HD22 LEU 23 HD22 LEU 23 -2.907 -0.981 17.093 196 HD23 LEU 23 HD23 LEU 23 -1.371 -1.502 17.787 197 H SER 24 H SER 24 -6.517 -3.205 16.808 198 HA SER 24 HA SER 24 -7.258 -5.948 17.459 199 HB2 SER 24 HB2 SER 24 -9.621 -4.984 17.133 200 HB3 SER 24 HB3 SER 24 -8.687 -4.387 18.504 201 HG SER 24 HG SER 24 -9.731 -3.000 16.490 202 H SER 25 H SER 25 -5.782 -5.725 15.112 203 HA SER 25 HA SER 25 -7.596 -5.723 12.861 204 HB2 SER 25 HB2 SER 25 -5.333 -6.633 11.769 205 HB3 SER 25 HB3 SER 25 -5.577 -4.923 12.124 206 HG SER 25 HG SER 25 -3.751 -6.612 13.134 207 H ASP 26 H ASP 26 -5.788 -8.083 14.757 208 HA ASP 26 HA ASP 26 -6.246 -10.347 13.189 209 HB2 ASP 26 HB2 ASP 26 -5.879 -10.045 16.171 210 HB3 ASP 26 HB3 ASP 26 -5.960 -11.609 15.364 211 H ALA 27 H ALA 27 -8.386 -8.540 15.187 212 HA ALA 27 HA ALA 27 -10.280 -10.454 15.898 213 HB1 ALA 27 HB1 ALA 27 -10.064 -7.641 15.982 214 HB2 ALA 27 HB2 ALA 27 -11.613 -8.023 15.230 215 HB3 ALA 27 HB3 ALA 27 -11.222 -8.673 16.822 216 H ILE 28 H ILE 28 -9.660 -8.915 12.835 217 HA ILE 28 HA ILE 28 -12.052 -9.268 11.501 218 HB ILE 28 HB ILE 28 -9.280 -9.639 10.361 219 HG12 ILE 28 HG12 ILE 28 -10.982 -7.156 10.238 220 HG13 ILE 28 HG13 ILE 28 -9.864 -7.445 11.566 221 HG21 ILE 28 HG21 ILE 28 -11.900 -9.040 8.995 222 HG22 ILE 28 HG22 ILE 28 -10.320 -9.053 8.215 223 HG23 ILE 28 HG23 ILE 28 -10.984 -10.542 8.887 224 HD11 ILE 28 HD11 ILE 28 -8.498 -6.248 10.228 225 HD12 ILE 28 HD12 ILE 28 -8.196 -7.840 9.530 226 HD13 ILE 28 HD13 ILE 28 -9.330 -6.737 8.752 227 H PHE 29 H PHE 29 -9.603 -11.633 12.320 228 HA PHE 29 HA PHE 29 -10.862 -13.706 10.727 229 HB2 PHE 29 HB2 PHE 29 -8.327 -13.431 11.174 230 HB3 PHE 29 HB3 PHE 29 -8.672 -14.160 12.739 231 HD1 PHE 29 HD1 PHE 29 -8.259 -14.727 9.193 232 HD2 PHE 29 HD2 PHE 29 -9.549 -16.470 12.856 233 HE1 PHE 29 HE1 PHE 29 -8.118 -16.962 8.175 234 HE2 PHE 29 HE2 PHE 29 -9.409 -18.708 11.844 235 HZ PHE 29 HZ PHE 29 -8.692 -18.956 9.501 236 H LYS 30 H LYS 30 -10.851 -12.562 13.996 237 HA LYS 30 HA LYS 30 -11.728 -14.857 15.341 238 HB2 LYS 30 HB2 LYS 30 -10.923 -12.819 16.474 239 HB3 LYS 30 HB3 LYS 30 -12.372 -11.966 15.955 240 HG2 LYS 30 HG2 LYS 30 -13.742 -13.523 17.264 241 HG3 LYS 30 HG3 LYS 30 -12.275 -14.340 17.808 242 HD2 LYS 30 HD2 LYS 30 -12.573 -11.392 18.209 243 HD3 LYS 30 HD3 LYS 30 -13.383 -12.513 19.306 244 HE2 LYS 30 HE2 LYS 30 -11.413 -13.308 20.167 245 HE3 LYS 30 HE3 LYS 30 -10.503 -12.953 18.699 246 HZ1 LYS 30 HZ1 LYS 30 -10.826 -10.541 19.293 247 HZ2 LYS 30 HZ2 LYS 30 -9.782 -11.414 20.297 248 HZ3 LYS 30 HZ3 LYS 30 -11.355 -11.064 20.813 249 H GLN 31 H GLN 31 -13.413 -12.593 13.310 250 HA GLN 31 HA GLN 31 -16.050 -13.226 14.146 251 HB2 GLN 31 HB2 GLN 31 -15.008 -12.063 11.559 252 HB3 GLN 31 HB3 GLN 31 -16.714 -12.187 11.967 253 HG2 GLN 31 HG2 GLN 31 -14.755 -10.722 13.702 254 HG3 GLN 31 HG3 GLN 31 -15.591 -9.951 12.356 255 HE21 GLN 31 HE21 GLN 31 -15.908 -8.974 14.864 256 HE22 GLN 31 HE22 GLN 31 -17.504 -9.304 15.436 257 H SER 32 H SER 32 -13.815 -14.663 11.887 258 HA SER 32 HA SER 32 -15.553 -16.174 10.325 259 HB2 SER 32 HB2 SER 32 -12.985 -15.864 10.138 260 HB3 SER 32 HB3 SER 32 -12.891 -17.252 11.222 261 HG SER 32 HG SER 32 -13.726 -18.528 9.694 262 H HIS 33 H HIS 33 -14.051 -16.961 13.439 263 HA HIS 33 HA HIS 33 -15.868 -19.270 13.652 264 HB2 HIS 33 HB2 HIS 33 -14.269 -20.240 15.225 265 HB3 HIS 33 HB3 HIS 33 -13.480 -19.871 13.695 266 HD1 HIS 33 HD1 HIS 33 -11.449 -18.419 13.796 267 HD2 HIS 33 HD2 HIS 33 -13.646 -18.315 17.321 268 HE1 HIS 33 HE1 HIS 33 -10.047 -17.112 15.423 Start of MODEL 15 1 H1 ASN 1 H ASN 1 -4.883 -4.326 0.758 2 HA ASN 1 HA ASN 1 -2.985 -2.257 1.320 3 HB2 ASN 1 HB2 ASN 1 -3.258 -4.393 -0.758 4 HB3 ASN 1 HB3 ASN 1 -2.122 -3.075 -1.032 5 HD21 ASN 1 HD21 ASN 1 -0.403 -2.778 0.458 6 HD22 ASN 1 HD22 ASN 1 0.168 -4.098 1.415 7 H VAL 2 H VAL 2 -3.292 -0.195 0.827 8 HA VAL 2 HA VAL 2 -5.208 0.612 -1.172 9 HB VAL 2 HB VAL 2 -3.299 2.374 0.365 10 HG11 VAL 2 HG11 VAL 2 -4.972 4.110 -0.061 11 HG12 VAL 2 HG12 VAL 2 -4.342 3.437 -1.565 12 HG13 VAL 2 HG13 VAL 2 -5.935 2.956 -0.981 13 HG21 VAL 2 HG21 VAL 2 -5.811 2.584 1.523 14 HG22 VAL 2 HG22 VAL 2 -5.588 0.852 1.278 15 HG23 VAL 2 HG23 VAL 2 -4.402 1.771 2.205 16 H ASP 3 H ASP 3 -3.908 -0.578 -2.870 17 HA ASP 3 HA ASP 3 -2.273 1.374 -4.274 18 HB2 ASP 3 HB2 ASP 3 -1.264 -1.287 -3.322 19 HB3 ASP 3 HB3 ASP 3 -0.638 -0.590 -4.814 20 H VAL 4 H VAL 4 -1.662 0.444 -6.512 21 HA VAL 4 HA VAL 4 -4.084 -0.806 -7.599 22 HB VAL 4 HB VAL 4 -3.241 1.422 -8.487 23 HG11 VAL 4 HG11 VAL 4 -1.281 1.621 -9.597 24 HG12 VAL 4 HG12 VAL 4 -0.823 0.255 -8.577 25 HG13 VAL 4 HG13 VAL 4 -1.351 -0.020 -10.238 26 HG21 VAL 4 HG21 VAL 4 -3.352 0.293 -10.970 27 HG22 VAL 4 HG22 VAL 4 -4.112 -0.947 -9.972 28 HG23 VAL 4 HG23 VAL 4 -4.753 0.696 -9.977 29 H ARG 5 H ARG 5 -1.791 -2.227 -6.290 30 HA ARG 5 HA ARG 5 -1.080 -3.980 -8.550 31 HB2 ARG 5 HB2 ARG 5 0.552 -2.877 -6.343 32 HB3 ARG 5 HB3 ARG 5 0.825 -4.572 -6.724 33 HG2 ARG 5 HG2 ARG 5 2.319 -3.700 -8.163 34 HG3 ARG 5 HG3 ARG 5 0.896 -3.553 -9.198 35 HD2 ARG 5 HD2 ARG 5 1.875 -1.446 -9.322 36 HD3 ARG 5 HD3 ARG 5 0.610 -1.239 -8.112 37 HE ARG 5 HE ARG 5 3.027 -1.947 -6.848 38 HH11 ARG 5 HH11 ARG 5 1.516 0.712 -8.513 39 HH12 ARG 5 HH12 ARG 5 2.430 1.924 -7.678 40 HH21 ARG 5 HH21 ARG 5 4.237 -0.360 -5.743 41 HH22 ARG 5 HH22 ARG 5 3.978 1.313 -6.104 42 H TYR 6 H TYR 6 -2.438 -5.660 -8.414 43 HA TYR 6 HA TYR 6 -2.400 -7.255 -5.976 44 HB2 TYR 6 HB2 TYR 6 -4.841 -7.483 -5.921 45 HB3 TYR 6 HB3 TYR 6 -4.361 -5.804 -5.701 46 HD1 TYR 6 HD1 TYR 6 -4.897 -4.131 -7.353 47 HD2 TYR 6 HD2 TYR 6 -5.923 -8.210 -7.995 48 HE1 TYR 6 HE1 TYR 6 -6.368 -3.463 -9.208 49 HE2 TYR 6 HE2 TYR 6 -7.396 -7.553 -9.851 50 HH TYR 6 HH TYR 6 -7.381 -4.392 -11.181 51 H THR 7 H THR 7 -2.727 -9.435 -6.313 52 HA THR 7 HA THR 7 -3.105 -10.275 -9.112 53 HB THR 7 HB THR 7 -1.611 -12.280 -8.394 54 HG1 THR 7 HG1 THR 7 -0.608 -12.071 -6.544 55 HG21 THR 7 HG21 THR 7 0.300 -10.164 -8.588 56 HG22 THR 7 HG22 THR 7 -1.081 -9.785 -9.618 57 HG23 THR 7 HG23 THR 7 -0.214 -11.306 -9.829 58 H TYR 8 H TYR 8 -4.957 -10.077 -6.762 59 HA TYR 8 HA TYR 8 -6.404 -12.451 -7.206 60 HB2 TYR 8 HB2 TYR 8 -6.197 -13.557 -5.061 61 HB3 TYR 8 HB3 TYR 8 -4.601 -13.407 -5.787 62 HD1 TYR 8 HD1 TYR 8 -6.482 -12.935 -2.850 63 HD2 TYR 8 HD2 TYR 8 -3.238 -11.281 -5.050 64 HE1 TYR 8 HE1 TYR 8 -5.664 -11.838 -0.806 65 HE2 TYR 8 HE2 TYR 8 -2.409 -10.181 -3.012 66 HH TYR 8 HH TYR 8 -3.932 -10.735 0.124 67 H ARG 9 H ARG 9 -7.933 -12.674 -4.971 68 HA ARG 9 HA ARG 9 -9.109 -9.985 -4.741 69 HB2 ARG 9 HB2 ARG 9 -10.469 -11.785 -5.863 70 HB3 ARG 9 HB3 ARG 9 -10.508 -12.627 -4.320 71 HG2 ARG 9 HG2 ARG 9 -11.513 -10.482 -3.371 72 HG3 ARG 9 HG3 ARG 9 -11.766 -10.009 -5.052 73 HD2 ARG 9 HD2 ARG 9 -12.773 -12.577 -3.837 74 HD3 ARG 9 HD3 ARG 9 -13.735 -11.107 -3.990 75 HE ARG 9 HE ARG 9 -13.137 -12.991 -6.051 76 HH11 ARG 9 HH11 ARG 9 -13.795 -9.631 -5.416 77 HH12 ARG 9 HH12 ARG 9 -14.411 -9.317 -7.004 78 HH21 ARG 9 HH21 ARG 9 -13.947 -12.589 -8.146 79 HH22 ARG 9 HH22 ARG 9 -14.498 -11.000 -8.556 80 HA PRO 10 HA PRO 10 -7.545 -10.893 -0.511 81 HB2 PRO 10 HB2 PRO 10 -6.934 -8.307 0.044 82 HB3 PRO 10 HB3 PRO 10 -5.834 -9.390 -0.817 83 HG2 PRO 10 HG2 PRO 10 -7.684 -7.307 -1.912 84 HG3 PRO 10 HG3 PRO 10 -6.011 -7.671 -2.373 85 HD2 PRO 10 HD2 PRO 10 -8.138 -8.533 -3.809 86 HD3 PRO 10 HD3 PRO 10 -6.630 -9.461 -3.687 87 H SER 11 H SER 11 -9.034 -11.118 1.024 88 HA SER 11 HA SER 11 -11.440 -9.521 1.008 89 HB2 SER 11 HB2 SER 11 -11.014 -11.296 3.311 90 HB3 SER 11 HB3 SER 11 -12.363 -11.222 2.178 91 HG SER 11 HG SER 11 -10.353 -12.967 2.247 92 H VAL 12 H VAL 12 -9.133 -10.331 3.608 93 HA VAL 12 HA VAL 12 -9.280 -7.546 4.524 94 HB VAL 12 HB VAL 12 -9.401 -9.852 6.459 95 HG11 VAL 12 HG11 VAL 12 -8.613 -7.994 7.599 96 HG12 VAL 12 HG12 VAL 12 -9.603 -6.873 6.663 97 HG13 VAL 12 HG13 VAL 12 -10.351 -7.908 7.880 98 HG21 VAL 12 HG21 VAL 12 -11.656 -8.267 5.249 99 HG22 VAL 12 HG22 VAL 12 -11.431 -10.016 5.233 100 HG23 VAL 12 HG23 VAL 12 -11.814 -9.190 6.743 101 HA PRO 13 HA PRO 13 -4.889 -8.757 4.286 102 HB2 PRO 13 HB2 PRO 13 -4.008 -6.230 3.833 103 HB3 PRO 13 HB3 PRO 13 -4.628 -7.275 2.550 104 HG2 PRO 13 HG2 PRO 13 -6.014 -5.081 4.042 105 HG3 PRO 13 HG3 PRO 13 -6.048 -5.449 2.308 106 HD2 PRO 13 HD2 PRO 13 -8.048 -6.163 3.987 107 HD3 PRO 13 HD3 PRO 13 -7.603 -7.130 2.567 108 H ALA 14 H ALA 14 -3.658 -8.956 6.044 109 HA ALA 14 HA ALA 14 -4.265 -7.959 8.543 110 HB1 ALA 14 HB1 ALA 14 -2.161 -8.767 9.274 111 HB2 ALA 14 HB2 ALA 14 -2.690 -9.844 7.981 112 HB3 ALA 14 HB3 ALA 14 -1.465 -8.617 7.661 113 H HIS 15 H HIS 15 -2.438 -6.474 5.970 114 HA HIS 15 HA HIS 15 -2.470 -3.950 7.389 115 HB2 HIS 15 HB2 HIS 15 0.010 -3.608 6.887 116 HB3 HIS 15 HB3 HIS 15 -0.383 -4.683 8.225 117 HD1 HIS 15 HD1 HIS 15 0.693 -6.919 8.168 118 HD2 HIS 15 HD2 HIS 15 0.659 -5.109 4.428 119 HE1 HIS 15 HE1 HIS 15 2.020 -8.443 6.671 120 H ARG 16 H ARG 16 -2.727 -2.274 6.027 121 HA ARG 16 HA ARG 16 -2.290 -2.771 3.156 122 HB2 ARG 16 HB2 ARG 16 -4.244 -1.399 2.668 123 HB3 ARG 16 HB3 ARG 16 -4.686 -2.746 3.708 124 HG2 ARG 16 HG2 ARG 16 -4.406 -1.089 5.644 125 HG3 ARG 16 HG3 ARG 16 -4.451 0.158 4.396 126 HD2 ARG 16 HD2 ARG 16 -6.574 -1.934 4.864 127 HD3 ARG 16 HD3 ARG 16 -6.663 -0.254 5.388 128 HE ARG 16 HE ARG 16 -6.203 -0.454 2.587 129 HH11 ARG 16 HH11 ARG 16 -8.670 -0.702 5.030 130 HH12 ARG 16 HH12 ARG 16 -9.962 -0.283 3.954 131 HH21 ARG 16 HH21 ARG 16 -7.894 0.100 1.160 132 HH22 ARG 16 HH22 ARG 16 -9.519 0.172 1.753 133 H ARG 17 H ARG 17 -0.316 -1.675 4.784 134 HA ARG 17 HA ARG 17 -0.063 0.964 3.570 135 HB2 ARG 17 HB2 ARG 17 -0.183 0.425 6.500 136 HB3 ARG 17 HB3 ARG 17 0.954 1.639 5.929 137 HG2 ARG 17 HG2 ARG 17 -1.985 1.658 5.288 138 HG3 ARG 17 HG3 ARG 17 -1.255 2.537 6.633 139 HD2 ARG 17 HD2 ARG 17 -0.059 2.931 3.953 140 HD3 ARG 17 HD3 ARG 17 -1.653 3.631 4.229 141 HE ARG 17 HE ARG 17 0.813 4.598 5.231 142 HH11 ARG 17 HH11 ARG 17 -2.537 4.196 6.088 143 HH12 ARG 17 HH12 ARG 17 -2.549 5.530 7.194 144 HH21 ARG 17 HH21 ARG 17 0.810 6.357 6.684 145 HH22 ARG 17 HH22 ARG 17 -0.646 6.759 7.531 146 H VAL 18 H VAL 18 2.233 1.859 4.177 147 HA VAL 18 HA VAL 18 4.107 -0.219 3.410 148 HB VAL 18 HB VAL 18 4.169 1.969 2.278 149 HG11 VAL 18 HG11 VAL 18 4.955 3.949 3.411 150 HG12 VAL 18 HG12 VAL 18 3.526 3.330 4.241 151 HG13 VAL 18 HG13 VAL 18 5.130 3.056 4.921 152 HG21 VAL 18 HG21 VAL 18 6.244 0.423 2.900 153 HG22 VAL 18 HG22 VAL 18 6.427 1.929 2.001 154 HG23 VAL 18 HG23 VAL 18 6.750 1.892 3.734 155 H ARG 19 H ARG 19 3.248 1.606 6.226 156 HA ARG 19 HA ARG 19 5.350 0.210 7.728 157 HB2 ARG 19 HB2 ARG 19 4.624 3.133 7.942 158 HB3 ARG 19 HB3 ARG 19 5.574 2.278 9.150 159 HG2 ARG 19 HG2 ARG 19 6.431 2.258 6.290 160 HG3 ARG 19 HG3 ARG 19 6.767 3.657 7.312 161 HD2 ARG 19 HD2 ARG 19 8.676 2.378 7.578 162 HD3 ARG 19 HD3 ARG 19 7.707 1.907 8.973 163 HE ARG 19 HE ARG 19 7.349 0.227 6.661 164 HH11 ARG 19 HH11 ARG 19 9.196 0.790 9.558 165 HH12 ARG 19 HH12 ARG 19 9.717 -0.856 9.702 166 HH21 ARG 19 HH21 ARG 19 8.028 -1.943 6.839 167 HH22 ARG 19 HH22 ARG 19 9.053 -2.410 8.154 168 H GLU 20 H GLU 20 3.353 -1.170 7.996 169 HA GLU 20 HA GLU 20 1.997 -0.347 10.454 170 HB2 GLU 20 HB2 GLU 20 0.589 0.065 8.315 171 HB3 GLU 20 HB3 GLU 20 0.423 -1.684 8.273 172 HG2 GLU 20 HG2 GLU 20 -0.370 -1.434 10.717 173 HG3 GLU 20 HG3 GLU 20 -0.611 0.260 10.292 174 H SER 21 H SER 21 1.310 -2.061 11.774 175 HA SER 21 HA SER 21 1.586 -4.793 10.989 176 HB2 SER 21 HB2 SER 21 3.759 -3.502 12.624 177 HB3 SER 21 HB3 SER 21 3.405 -5.223 12.777 178 HG SER 21 HG SER 21 4.112 -5.569 10.775 179 HA PRO 22 HA PRO 22 -1.200 -3.854 14.585 180 HB2 PRO 22 HB2 PRO 22 -3.362 -5.122 13.541 181 HB3 PRO 22 HB3 PRO 22 -2.979 -3.432 13.193 182 HG2 PRO 22 HG2 PRO 22 -2.439 -5.873 11.547 183 HG3 PRO 22 HG3 PRO 22 -3.040 -4.287 11.032 184 HD2 PRO 22 HD2 PRO 22 -0.455 -5.034 10.731 185 HD3 PRO 22 HD3 PRO 22 -0.934 -3.350 11.029 186 H LEU 23 H LEU 23 -1.597 -5.229 16.256 187 HA LEU 23 HA LEU 23 -0.836 -8.038 15.855 188 HB2 LEU 23 HB2 LEU 23 -0.801 -6.221 18.240 189 HB3 LEU 23 HB3 LEU 23 -0.724 -7.972 18.424 190 HG LEU 23 HG LEU 23 1.495 -7.075 18.559 191 HD11 LEU 23 HD11 LEU 23 2.590 -8.346 16.846 192 HD12 LEU 23 HD12 LEU 23 1.146 -8.315 15.835 193 HD13 LEU 23 HD13 LEU 23 1.141 -9.217 17.351 194 HD21 LEU 23 HD21 LEU 23 0.603 -5.136 16.834 195 HD22 LEU 23 HD22 LEU 23 1.691 -6.086 15.822 196 HD23 LEU 23 HD23 LEU 23 2.278 -5.382 17.329 197 H SER 24 H SER 24 -3.197 -6.049 17.631 198 HA SER 24 HA SER 24 -4.913 -8.384 17.974 199 HB2 SER 24 HB2 SER 24 -6.239 -6.964 19.452 200 HB3 SER 24 HB3 SER 24 -4.535 -6.866 19.896 201 HG SER 24 HG SER 24 -6.139 -4.878 19.310 202 H SER 25 H SER 25 -4.623 -7.608 15.327 203 HA SER 25 HA SER 25 -6.877 -5.966 14.567 204 HB2 SER 25 HB2 SER 25 -6.093 -6.955 12.219 205 HB3 SER 25 HB3 SER 25 -5.213 -5.650 13.014 206 HG SER 25 HG SER 25 -3.730 -7.198 12.446 207 H ASP 26 H ASP 26 -6.000 -9.387 14.495 208 HA ASP 26 HA ASP 26 -8.186 -10.354 13.051 209 HB2 ASP 26 HB2 ASP 26 -7.670 -12.520 13.993 210 HB3 ASP 26 HB3 ASP 26 -6.162 -11.677 13.647 211 H ALA 27 H ALA 27 -7.986 -9.131 16.260 212 HA ALA 27 HA ALA 27 -10.047 -10.418 17.574 213 HB1 ALA 27 HB1 ALA 27 -9.749 -7.468 17.893 214 HB2 ALA 27 HB2 ALA 27 -9.979 -8.717 19.117 215 HB3 ALA 27 HB3 ALA 27 -8.409 -8.526 18.337 216 H ILE 28 H ILE 28 -10.198 -8.049 15.025 217 HA ILE 28 HA ILE 28 -12.760 -7.056 15.283 218 HB ILE 28 HB ILE 28 -11.370 -7.805 12.708 219 HG12 ILE 28 HG12 ILE 28 -11.492 -5.080 13.990 220 HG13 ILE 28 HG13 ILE 28 -10.199 -6.218 14.354 221 HG21 ILE 28 HG21 ILE 28 -13.045 -5.537 12.435 222 HG22 ILE 28 HG22 ILE 28 -13.188 -7.108 11.649 223 HG23 ILE 28 HG23 ILE 28 -13.990 -6.818 13.192 224 HD11 ILE 28 HD11 ILE 28 -10.205 -4.368 12.333 225 HD12 ILE 28 HD12 ILE 28 -9.141 -5.770 12.451 226 HD13 ILE 28 HD13 ILE 28 -10.624 -5.865 11.502 227 H PHE 29 H PHE 29 -11.710 -10.170 14.029 228 HA PHE 29 HA PHE 29 -14.383 -10.911 13.206 229 HB2 PHE 29 HB2 PHE 29 -12.190 -11.650 12.086 230 HB3 PHE 29 HB3 PHE 29 -12.030 -12.777 13.428 231 HD1 PHE 29 HD1 PHE 29 -13.480 -12.189 10.230 232 HD2 PHE 29 HD2 PHE 29 -13.935 -14.425 13.822 233 HE1 PHE 29 HE1 PHE 29 -14.919 -13.794 9.044 234 HE2 PHE 29 HE2 PHE 29 -15.374 -16.034 12.643 235 HZ PHE 29 HZ PHE 29 -15.868 -15.720 10.250 236 H LYS 30 H LYS 30 -12.342 -11.266 15.979 237 HA LYS 30 HA LYS 30 -13.542 -13.512 17.173 238 HB2 LYS 30 HB2 LYS 30 -11.370 -12.369 17.837 239 HB3 LYS 30 HB3 LYS 30 -12.357 -11.171 18.663 240 HG2 LYS 30 HG2 LYS 30 -13.394 -13.150 19.907 241 HG3 LYS 30 HG3 LYS 30 -12.024 -14.080 19.295 242 HD2 LYS 30 HD2 LYS 30 -11.534 -11.473 20.667 243 HD3 LYS 30 HD3 LYS 30 -11.893 -12.908 21.632 244 HE2 LYS 30 HE2 LYS 30 -9.589 -12.978 21.515 245 HE3 LYS 30 HE3 LYS 30 -10.050 -14.019 20.169 246 HZ1 LYS 30 HZ1 LYS 30 -8.429 -11.790 20.071 247 HZ2 LYS 30 HZ2 LYS 30 -9.874 -11.319 19.328 248 HZ3 LYS 30 HZ3 LYS 30 -9.031 -12.671 18.757 249 H GLN 31 H GLN 31 -14.544 -10.204 16.916 250 HA GLN 31 HA GLN 31 -16.252 -9.910 19.062 251 HB2 GLN 31 HB2 GLN 31 -15.676 -8.176 17.329 252 HB3 GLN 31 HB3 GLN 31 -16.845 -8.944 16.264 253 HG2 GLN 31 HG2 GLN 31 -18.645 -8.412 17.731 254 HG3 GLN 31 HG3 GLN 31 -17.532 -7.853 18.979 255 HE21 GLN 31 HE21 GLN 31 -19.723 -6.441 17.696 256 HE22 GLN 31 HE22 GLN 31 -19.035 -5.031 16.974 257 H SER 32 H SER 32 -16.664 -11.803 16.165 258 HA SER 32 HA SER 32 -19.417 -12.178 16.157 259 HB2 SER 32 HB2 SER 32 -17.515 -14.418 15.505 260 HB3 SER 32 HB3 SER 32 -19.046 -14.008 14.732 261 HG SER 32 HG SER 32 -17.336 -13.351 13.424 262 H HIS 33 H HIS 33 -16.912 -14.026 17.868 263 HA HIS 33 HA HIS 33 -18.860 -15.706 19.171 264 HB2 HIS 33 HB2 HIS 33 -16.403 -16.281 18.509 265 HB3 HIS 33 HB3 HIS 33 -15.992 -15.491 20.029 266 HD1 HIS 33 HD1 HIS 33 -16.301 -18.716 18.880 267 HD2 HIS 33 HD2 HIS 33 -18.028 -16.740 22.101 268 HE1 HIS 33 HE1 HIS 33 -16.994 -20.524 20.485 Start of MODEL 16 1 H1 ASN 1 H ASN 1 1.538 -3.445 1.884 2 HA ASN 1 HA ASN 1 0.558 -0.772 1.542 3 HB2 ASN 1 HB2 ASN 1 2.979 -1.705 0.006 4 HB3 ASN 1 HB3 ASN 1 1.909 -0.451 -0.615 5 HD21 ASN 1 HD21 ASN 1 4.281 0.440 -0.391 6 HD22 ASN 1 HD22 ASN 1 4.547 1.374 1.038 7 H VAL 2 H VAL 2 -1.372 -1.159 0.695 8 HA VAL 2 HA VAL 2 -2.112 -3.522 -0.628 9 HB VAL 2 HB VAL 2 -3.743 -2.080 0.497 10 HG11 VAL 2 HG11 VAL 2 -3.911 -0.182 -1.754 11 HG12 VAL 2 HG12 VAL 2 -4.152 0.079 -0.025 12 HG13 VAL 2 HG13 VAL 2 -2.519 0.004 -0.687 13 HG21 VAL 2 HG21 VAL 2 -4.247 -3.622 -1.546 14 HG22 VAL 2 HG22 VAL 2 -5.498 -2.543 -0.928 15 HG23 VAL 2 HG23 VAL 2 -4.584 -2.099 -2.369 16 H ASP 3 H ASP 3 -2.378 -4.047 -2.762 17 HA ASP 3 HA ASP 3 -1.214 -2.165 -4.710 18 HB2 ASP 3 HB2 ASP 3 -1.071 -5.166 -4.521 19 HB3 ASP 3 HB3 ASP 3 -0.773 -4.330 -6.042 20 H VAL 4 H VAL 4 -1.926 -3.085 -7.059 21 HA VAL 4 HA VAL 4 -4.871 -3.091 -6.985 22 HB VAL 4 HB VAL 4 -4.817 -2.109 -9.224 23 HG11 VAL 4 HG11 VAL 4 -3.616 0.075 -8.559 24 HG12 VAL 4 HG12 VAL 4 -4.977 -0.472 -7.579 25 HG13 VAL 4 HG13 VAL 4 -3.325 -0.734 -7.020 26 HG21 VAL 4 HG21 VAL 4 -2.753 -3.081 -10.043 27 HG22 VAL 4 HG22 VAL 4 -2.687 -1.324 -10.181 28 HG23 VAL 4 HG23 VAL 4 -1.820 -2.139 -8.880 29 H ARG 5 H ARG 5 -3.236 -5.472 -6.762 30 HA ARG 5 HA ARG 5 -4.327 -6.924 -9.050 31 HB2 ARG 5 HB2 ARG 5 -1.455 -7.188 -8.142 32 HB3 ARG 5 HB3 ARG 5 -2.237 -8.177 -9.368 33 HG2 ARG 5 HG2 ARG 5 -2.620 -6.085 -10.686 34 HG3 ARG 5 HG3 ARG 5 -1.611 -5.240 -9.510 35 HD2 ARG 5 HD2 ARG 5 -0.777 -7.571 -11.233 36 HD3 ARG 5 HD3 ARG 5 -0.309 -5.886 -11.462 37 HE ARG 5 HE ARG 5 0.402 -6.812 -8.872 38 HH11 ARG 5 HH11 ARG 5 1.342 -6.945 -12.221 39 HH12 ARG 5 HH12 ARG 5 3.017 -7.225 -11.875 40 HH21 ARG 5 HH21 ARG 5 2.603 -7.180 -8.403 41 HH22 ARG 5 HH22 ARG 5 3.733 -7.360 -9.702 42 H TYR 6 H TYR 6 -5.690 -8.279 -8.078 43 HA TYR 6 HA TYR 6 -4.706 -9.805 -5.757 44 HB2 TYR 6 HB2 TYR 6 -6.989 -9.861 -4.888 45 HB3 TYR 6 HB3 TYR 6 -6.448 -8.198 -5.091 46 HD1 TYR 6 HD1 TYR 6 -7.596 -6.706 -6.532 47 HD2 TYR 6 HD2 TYR 6 -8.581 -10.845 -6.551 48 HE1 TYR 6 HE1 TYR 6 -9.587 -6.219 -7.892 49 HE2 TYR 6 HE2 TYR 6 -10.574 -10.370 -7.912 50 HH TYR 6 HH TYR 6 -11.087 -8.047 -9.676 51 H THR 7 H THR 7 -5.183 -11.985 -5.673 52 HA THR 7 HA THR 7 -6.376 -13.128 -8.115 53 HB THR 7 HB THR 7 -4.896 -15.167 -7.508 54 HG1 THR 7 HG1 THR 7 -3.010 -14.606 -6.368 55 HG21 THR 7 HG21 THR 7 -3.020 -14.257 -8.805 56 HG22 THR 7 HG22 THR 7 -3.652 -12.627 -8.570 57 HG23 THR 7 HG23 THR 7 -4.572 -13.803 -9.508 58 H TYR 8 H TYR 8 -7.593 -12.438 -5.481 59 HA TYR 8 HA TYR 8 -9.232 -14.712 -5.193 60 HB2 TYR 8 HB2 TYR 8 -8.593 -15.490 -2.990 61 HB3 TYR 8 HB3 TYR 8 -7.203 -15.598 -4.065 62 HD1 TYR 8 HD1 TYR 8 -8.319 -14.519 -0.908 63 HD2 TYR 8 HD2 TYR 8 -5.598 -13.510 -4.020 64 HE1 TYR 8 HE1 TYR 8 -6.991 -13.200 0.688 65 HE2 TYR 8 HE2 TYR 8 -4.262 -12.190 -2.432 66 HH TYR 8 HH TYR 8 -4.847 -10.948 -0.124 67 H ARG 9 H ARG 9 -10.211 -14.452 -2.671 68 HA ARG 9 HA ARG 9 -11.158 -11.665 -2.648 69 HB2 ARG 9 HB2 ARG 9 -12.491 -14.266 -1.958 70 HB3 ARG 9 HB3 ARG 9 -13.093 -12.751 -1.298 71 HG2 ARG 9 HG2 ARG 9 -13.263 -11.909 -3.659 72 HG3 ARG 9 HG3 ARG 9 -12.918 -13.558 -4.187 73 HD2 ARG 9 HD2 ARG 9 -14.873 -14.313 -2.822 74 HD3 ARG 9 HD3 ARG 9 -15.255 -12.616 -2.535 75 HE ARG 9 HE ARG 9 -15.009 -13.133 -5.310 76 HH11 ARG 9 HH11 ARG 9 -17.144 -13.604 -2.601 77 HH12 ARG 9 HH12 ARG 9 -18.578 -13.653 -3.572 78 HH21 ARG 9 HH21 ARG 9 -16.890 -13.195 -6.599 79 HH22 ARG 9 HH22 ARG 9 -18.432 -13.421 -5.846 80 HA PRO 10 HA PRO 10 -8.705 -12.052 1.225 81 HB2 PRO 10 HB2 PRO 10 -7.844 -9.478 1.184 82 HB3 PRO 10 HB3 PRO 10 -7.034 -10.776 0.300 83 HG2 PRO 10 HG2 PRO 10 -8.973 -8.726 -0.700 84 HG3 PRO 10 HG3 PRO 10 -7.474 -9.308 -1.449 85 HD2 PRO 10 HD2 PRO 10 -9.920 -10.182 -2.214 86 HD3 PRO 10 HD3 PRO 10 -8.476 -11.214 -2.270 87 H SER 11 H SER 11 -9.806 -11.902 3.067 88 HA SER 11 HA SER 11 -12.200 -10.502 3.395 89 HB2 SER 11 HB2 SER 11 -11.289 -12.452 4.784 90 HB3 SER 11 HB3 SER 11 -10.375 -11.240 5.681 91 HG SER 11 HG SER 11 -12.624 -11.908 6.402 92 H VAL 12 H VAL 12 -9.181 -9.791 5.154 93 HA VAL 12 HA VAL 12 -9.759 -6.923 4.838 94 HB VAL 12 HB VAL 12 -8.838 -6.612 7.179 95 HG11 VAL 12 HG11 VAL 12 -11.478 -7.607 6.377 96 HG12 VAL 12 HG12 VAL 12 -11.133 -7.738 8.103 97 HG13 VAL 12 HG13 VAL 12 -11.036 -6.171 7.299 98 HG21 VAL 12 HG21 VAL 12 -9.688 -9.381 7.814 99 HG22 VAL 12 HG22 VAL 12 -8.100 -9.168 7.077 100 HG23 VAL 12 HG23 VAL 12 -8.483 -8.358 8.596 101 HA PRO 13 HA PRO 13 -5.546 -6.476 3.684 102 HB2 PRO 13 HB2 PRO 13 -5.014 -3.977 4.602 103 HB3 PRO 13 HB3 PRO 13 -6.038 -4.286 3.195 104 HG2 PRO 13 HG2 PRO 13 -6.830 -3.696 6.021 105 HG3 PRO 13 HG3 PRO 13 -7.516 -3.066 4.512 106 HD2 PRO 13 HD2 PRO 13 -8.680 -5.067 5.917 107 HD3 PRO 13 HD3 PRO 13 -8.779 -4.959 4.148 108 H ALA 14 H ALA 14 -3.358 -6.084 4.519 109 HA ALA 14 HA ALA 14 -3.111 -7.091 7.248 110 HB1 ALA 14 HB1 ALA 14 -1.593 -7.361 4.815 111 HB2 ALA 14 HB2 ALA 14 -0.559 -6.845 6.148 112 HB3 ALA 14 HB3 ALA 14 -1.521 -8.316 6.296 113 H HIS 15 H HIS 15 -2.280 -4.289 5.297 114 HA HIS 15 HA HIS 15 -2.197 -2.531 7.477 115 HB2 HIS 15 HB2 HIS 15 0.267 -2.003 7.430 116 HB3 HIS 15 HB3 HIS 15 -0.144 -3.554 8.157 117 HD1 HIS 15 HD1 HIS 15 0.894 -5.607 7.147 118 HD2 HIS 15 HD2 HIS 15 1.414 -2.225 4.790 119 HE1 HIS 15 HE1 HIS 15 2.492 -6.293 5.330 120 H ARG 16 H ARG 16 -1.729 -0.350 6.857 121 HA ARG 16 HA ARG 16 -1.461 0.067 3.958 122 HB2 ARG 16 HB2 ARG 16 -3.159 1.823 4.050 123 HB3 ARG 16 HB3 ARG 16 -3.826 0.279 4.562 124 HG2 ARG 16 HG2 ARG 16 -3.535 0.986 6.917 125 HG3 ARG 16 HG3 ARG 16 -3.003 2.566 6.336 126 HD2 ARG 16 HD2 ARG 16 -5.617 1.429 5.430 127 HD3 ARG 16 HD3 ARG 16 -5.489 2.207 7.008 128 HE ARG 16 HE ARG 16 -4.418 3.807 4.890 129 HH11 ARG 16 HH11 ARG 16 -7.341 2.874 6.534 130 HH12 ARG 16 HH12 ARG 16 -8.195 4.322 6.113 131 HH21 ARG 16 HH21 ARG 16 -5.531 5.718 4.329 132 HH22 ARG 16 HH22 ARG 16 -7.165 5.938 4.858 133 H ARG 17 H ARG 17 0.645 0.237 5.764 134 HA ARG 17 HA ARG 17 1.441 2.983 5.366 135 HB2 ARG 17 HB2 ARG 17 0.710 1.928 8.029 136 HB3 ARG 17 HB3 ARG 17 2.230 2.809 7.952 137 HG2 ARG 17 HG2 ARG 17 1.016 4.707 6.913 138 HG3 ARG 17 HG3 ARG 17 -0.491 3.824 7.165 139 HD2 ARG 17 HD2 ARG 17 -0.424 4.090 9.444 140 HD3 ARG 17 HD3 ARG 17 1.333 4.231 9.482 141 HE ARG 17 HE ARG 17 0.458 6.459 8.142 142 HH11 ARG 17 HH11 ARG 17 -0.090 5.046 11.276 143 HH12 ARG 17 HH12 ARG 17 -0.371 6.567 12.057 144 HH21 ARG 17 HH21 ARG 17 0.090 8.467 9.159 145 HH22 ARG 17 HH22 ARG 17 -0.269 8.512 10.851 146 H VAL 18 H VAL 18 3.745 3.242 6.478 147 HA VAL 18 HA VAL 18 5.350 1.108 5.353 148 HB VAL 18 HB VAL 18 5.959 3.460 4.944 149 HG11 VAL 18 HG11 VAL 18 6.635 3.561 7.882 150 HG12 VAL 18 HG12 VAL 18 6.859 4.851 6.699 151 HG13 VAL 18 HG13 VAL 18 5.232 4.332 7.142 152 HG21 VAL 18 HG21 VAL 18 8.224 2.490 6.581 153 HG22 VAL 18 HG22 VAL 18 7.621 1.399 5.333 154 HG23 VAL 18 HG23 VAL 18 8.183 3.013 4.897 155 H ARG 19 H ARG 19 4.431 2.307 8.491 156 HA ARG 19 HA ARG 19 5.880 0.073 9.720 157 HB2 ARG 19 HB2 ARG 19 6.007 2.969 10.516 158 HB3 ARG 19 HB3 ARG 19 6.293 1.693 11.692 159 HG2 ARG 19 HG2 ARG 19 8.230 0.970 10.618 160 HG3 ARG 19 HG3 ARG 19 7.811 1.792 9.113 161 HD2 ARG 19 HD2 ARG 19 8.067 3.963 10.316 162 HD3 ARG 19 HD3 ARG 19 8.659 3.063 11.712 163 HE ARG 19 HE ARG 19 10.101 3.674 9.309 164 HH11 ARG 19 HH11 ARG 19 9.822 1.456 11.978 165 HH12 ARG 19 HH12 ARG 19 11.473 0.937 11.888 166 HH21 ARG 19 HH21 ARG 19 12.276 2.998 9.180 167 HH22 ARG 19 HH22 ARG 19 12.868 1.815 10.297 168 H GLU 20 H GLU 20 3.655 -0.792 9.555 169 HA GLU 20 HA GLU 20 2.093 0.004 11.913 170 HB2 GLU 20 HB2 GLU 20 1.252 0.554 9.377 171 HB3 GLU 20 HB3 GLU 20 0.524 -1.024 9.643 172 HG2 GLU 20 HG2 GLU 20 0.205 1.320 11.501 173 HG3 GLU 20 HG3 GLU 20 -0.939 0.890 10.231 174 H SER 21 H SER 21 1.931 -1.642 13.268 175 HA SER 21 HA SER 21 1.928 -4.377 12.168 176 HB2 SER 21 HB2 SER 21 3.923 -3.539 13.635 177 HB3 SER 21 HB3 SER 21 2.801 -3.772 14.976 178 HG SER 21 HG SER 21 4.243 -5.602 13.704 179 HA PRO 22 HA PRO 22 -2.125 -3.638 14.317 180 HB2 PRO 22 HB2 PRO 22 -3.634 -4.768 12.364 181 HB3 PRO 22 HB3 PRO 22 -3.155 -3.067 12.345 182 HG2 PRO 22 HG2 PRO 22 -1.951 -5.390 10.891 183 HG3 PRO 22 HG3 PRO 22 -2.292 -3.754 10.298 184 HD2 PRO 22 HD2 PRO 22 0.186 -4.542 11.055 185 HD3 PRO 22 HD3 PRO 22 -0.389 -2.874 11.256 186 H LEU 23 H LEU 23 -0.763 -5.403 15.531 187 HA LEU 23 HA LEU 23 -0.943 -8.102 15.013 188 HB2 LEU 23 HB2 LEU 23 0.362 -7.079 16.840 189 HB3 LEU 23 HB3 LEU 23 -1.137 -6.784 17.717 190 HG LEU 23 HG LEU 23 -1.471 -9.096 18.109 191 HD11 LEU 23 HD11 LEU 23 -0.988 -10.422 16.368 192 HD12 LEU 23 HD12 LEU 23 0.599 -10.553 17.126 193 HD13 LEU 23 HD13 LEU 23 0.338 -9.395 15.821 194 HD21 LEU 23 HD21 LEU 23 1.011 -7.814 18.817 195 HD22 LEU 23 HD22 LEU 23 1.212 -9.564 18.721 196 HD23 LEU 23 HD23 LEU 23 -0.021 -8.874 19.778 197 H SER 24 H SER 24 -3.105 -6.362 17.259 198 HA SER 24 HA SER 24 -5.190 -8.344 16.625 199 HB2 SER 24 HB2 SER 24 -6.108 -7.970 18.826 200 HB3 SER 24 HB3 SER 24 -4.383 -8.288 18.999 201 HG SER 24 HG SER 24 -4.981 -6.504 20.252 202 H SER 25 H SER 25 -4.529 -5.825 15.193 203 HA SER 25 HA SER 25 -6.707 -4.023 15.788 204 HB2 SER 25 HB2 SER 25 -4.283 -3.591 14.706 205 HB3 SER 25 HB3 SER 25 -5.224 -3.775 13.226 206 HG SER 25 HG SER 25 -6.255 -1.963 13.638 207 H ASP 26 H ASP 26 -6.065 -6.658 13.622 208 HA ASP 26 HA ASP 26 -8.370 -6.068 11.952 209 HB2 ASP 26 HB2 ASP 26 -6.486 -8.435 11.897 210 HB3 ASP 26 HB3 ASP 26 -7.700 -8.051 10.680 211 H ALA 27 H ALA 27 -7.537 -8.008 14.684 212 HA ALA 27 HA ALA 27 -9.421 -10.053 14.524 213 HB1 ALA 27 HB1 ALA 27 -7.512 -9.366 16.313 214 HB2 ALA 27 HB2 ALA 27 -8.972 -8.959 17.215 215 HB3 ALA 27 HB3 ALA 27 -8.744 -10.595 16.599 216 H ILE 28 H ILE 28 -9.834 -6.689 15.169 217 HA ILE 28 HA ILE 28 -12.195 -6.670 16.644 218 HB ILE 28 HB ILE 28 -12.573 -4.436 15.833 219 HG12 ILE 28 HG12 ILE 28 -10.494 -5.053 13.722 220 HG13 ILE 28 HG13 ILE 28 -12.221 -4.869 13.437 221 HG21 ILE 28 HG21 ILE 28 -9.788 -3.965 15.817 222 HG22 ILE 28 HG22 ILE 28 -10.914 -3.814 17.165 223 HG23 ILE 28 HG23 ILE 28 -10.082 -5.343 16.878 224 HD11 ILE 28 HD11 ILE 28 -11.358 -2.825 12.801 225 HD12 ILE 28 HD12 ILE 28 -11.898 -2.521 14.452 226 HD13 ILE 28 HD13 ILE 28 -10.188 -2.793 14.120 227 H PHE 29 H PHE 29 -11.648 -7.290 13.254 228 HA PHE 29 HA PHE 29 -14.519 -7.278 12.704 229 HB2 PHE 29 HB2 PHE 29 -12.638 -6.286 11.169 230 HB3 PHE 29 HB3 PHE 29 -12.442 -7.958 10.655 231 HD1 PHE 29 HD1 PHE 29 -14.490 -4.984 10.470 232 HD2 PHE 29 HD2 PHE 29 -14.309 -9.135 9.546 233 HE1 PHE 29 HE1 PHE 29 -16.363 -4.712 8.897 234 HE2 PHE 29 HE2 PHE 29 -16.180 -8.870 7.971 235 HZ PHE 29 HZ PHE 29 -17.209 -6.656 7.644 236 H LYS 30 H LYS 30 -12.167 -9.407 13.731 237 HA LYS 30 HA LYS 30 -12.760 -11.760 12.321 238 HB2 LYS 30 HB2 LYS 30 -10.784 -11.497 13.768 239 HB3 LYS 30 HB3 LYS 30 -11.828 -11.459 15.183 240 HG2 LYS 30 HG2 LYS 30 -12.602 -13.756 14.569 241 HG3 LYS 30 HG3 LYS 30 -11.355 -13.772 13.319 242 HD2 LYS 30 HD2 LYS 30 -10.570 -13.078 16.108 243 HD3 LYS 30 HD3 LYS 30 -10.905 -14.768 15.721 244 HE2 LYS 30 HE2 LYS 30 -8.976 -13.019 14.200 245 HE3 LYS 30 HE3 LYS 30 -8.509 -14.123 15.493 246 HZ1 LYS 30 HZ1 LYS 30 -8.366 -15.697 13.960 247 HZ2 LYS 30 HZ2 LYS 30 -9.003 -14.687 12.763 248 HZ3 LYS 30 HZ3 LYS 30 -10.040 -15.604 13.735 249 H GLN 31 H GLN 31 -14.442 -10.108 14.861 250 HA GLN 31 HA GLN 31 -15.940 -12.117 16.016 251 HB2 GLN 31 HB2 GLN 31 -16.631 -9.253 15.387 252 HB3 GLN 31 HB3 GLN 31 -17.727 -10.307 16.270 253 HG2 GLN 31 HG2 GLN 31 -14.917 -10.023 17.212 254 HG3 GLN 31 HG3 GLN 31 -16.071 -8.728 17.530 255 HE21 GLN 31 HE21 GLN 31 -15.362 -9.506 19.756 256 HE22 GLN 31 HE22 GLN 31 -16.359 -10.709 20.493 257 H SER 32 H SER 32 -16.255 -10.673 12.859 258 HA SER 32 HA SER 32 -18.865 -11.435 12.223 259 HB2 SER 32 HB2 SER 32 -16.410 -11.004 10.527 260 HB3 SER 32 HB3 SER 32 -17.966 -11.437 9.818 261 HG SER 32 HG SER 32 -18.358 -9.380 9.914 262 H HIS 33 H HIS 33 -15.881 -13.257 12.249 263 HA HIS 33 HA HIS 33 -16.839 -15.498 10.785 264 HB2 HIS 33 HB2 HIS 33 -14.452 -15.091 11.002 265 HB3 HIS 33 HB3 HIS 33 -14.554 -15.255 12.753 266 HD1 HIS 33 HD1 HIS 33 -16.020 -17.580 10.136 267 HD2 HIS 33 HD2 HIS 33 -13.172 -17.562 13.162 268 HE1 HIS 33 HE1 HIS 33 -15.220 -19.957 10.321 Start of MODEL 17 1 H1 ASN 1 H ASN 1 -2.175 2.585 0.515 2 HA ASN 1 HA ASN 1 -3.210 -0.014 1.338 3 HB2 ASN 1 HB2 ASN 1 -3.721 1.383 -1.287 4 HB3 ASN 1 HB3 ASN 1 -4.691 0.130 -0.519 5 HD21 ASN 1 HD21 ASN 1 -5.707 0.704 1.547 6 HD22 ASN 1 HD22 ASN 1 -6.266 2.324 1.764 7 H VAL 2 H VAL 2 -1.158 -1.101 1.319 8 HA VAL 2 HA VAL 2 0.311 -1.343 -1.145 9 HB VAL 2 HB VAL 2 0.582 -3.023 1.350 10 HG11 VAL 2 HG11 VAL 2 1.625 -3.891 -0.740 11 HG12 VAL 2 HG12 VAL 2 2.604 -2.424 -0.804 12 HG13 VAL 2 HG13 VAL 2 2.779 -3.543 0.548 13 HG21 VAL 2 HG21 VAL 2 1.339 -0.252 0.792 14 HG22 VAL 2 HG22 VAL 2 1.178 -1.096 2.332 15 HG23 VAL 2 HG23 VAL 2 2.661 -1.254 1.391 16 H ASP 3 H ASP 3 -0.126 -2.693 -2.749 17 HA ASP 3 HA ASP 3 -2.252 -4.594 -2.565 18 HB2 ASP 3 HB2 ASP 3 -1.576 -3.251 -4.626 19 HB3 ASP 3 HB3 ASP 3 -0.247 -4.392 -4.810 20 H VAL 4 H VAL 4 -2.176 -6.711 -2.141 21 HA VAL 4 HA VAL 4 0.480 -7.967 -1.900 22 HB VAL 4 HB VAL 4 -0.535 -9.496 -0.245 23 HG11 VAL 4 HG11 VAL 4 -0.405 -8.019 1.570 24 HG12 VAL 4 HG12 VAL 4 0.592 -7.272 0.319 25 HG13 VAL 4 HG13 VAL 4 -1.036 -6.668 0.629 26 HG21 VAL 4 HG21 VAL 4 -2.945 -8.461 -1.251 27 HG22 VAL 4 HG22 VAL 4 -2.735 -9.645 0.039 28 HG23 VAL 4 HG23 VAL 4 -2.840 -7.928 0.426 29 H ARG 5 H ARG 5 -1.351 -7.804 -4.255 30 HA ARG 5 HA ARG 5 -2.095 -9.131 -5.947 31 HB2 ARG 5 HB2 ARG 5 0.267 -10.021 -5.570 32 HB3 ARG 5 HB3 ARG 5 -0.484 -11.348 -4.694 33 HG2 ARG 5 HG2 ARG 5 -1.818 -11.834 -6.758 34 HG3 ARG 5 HG3 ARG 5 -0.820 -10.644 -7.597 35 HD2 ARG 5 HD2 ARG 5 0.094 -13.195 -6.278 36 HD3 ARG 5 HD3 ARG 5 0.086 -12.829 -8.002 37 HE ARG 5 HE ARG 5 1.658 -10.892 -6.869 38 HH11 ARG 5 HH11 ARG 5 1.669 -14.372 -6.966 39 HH12 ARG 5 HH12 ARG 5 3.393 -14.499 -6.848 40 HH21 ARG 5 HH21 ARG 5 3.928 -11.047 -6.712 41 HH22 ARG 5 HH22 ARG 5 4.677 -12.607 -6.702 42 H TYR 6 H TYR 6 -3.879 -8.908 -3.889 43 HA TYR 6 HA TYR 6 -4.817 -11.275 -2.749 44 HB2 TYR 6 HB2 TYR 6 -7.026 -10.054 -2.621 45 HB3 TYR 6 HB3 TYR 6 -5.653 -9.200 -1.925 46 HD1 TYR 6 HD1 TYR 6 -4.952 -7.097 -2.782 47 HD2 TYR 6 HD2 TYR 6 -7.915 -9.350 -4.844 48 HE1 TYR 6 HE1 TYR 6 -5.446 -5.145 -4.194 49 HE2 TYR 6 HE2 TYR 6 -8.416 -7.405 -6.262 50 HH TYR 6 HH TYR 6 -6.927 -4.269 -5.672 51 H THR 7 H THR 7 -7.286 -11.893 -3.346 52 HA THR 7 HA THR 7 -7.528 -12.301 -6.231 53 HB THR 7 HB THR 7 -8.262 -14.744 -4.895 54 HG1 THR 7 HG1 THR 7 -6.334 -15.329 -4.018 55 HG21 THR 7 HG21 THR 7 -5.931 -14.622 -6.720 56 HG22 THR 7 HG22 THR 7 -7.471 -14.045 -7.357 57 HG23 THR 7 HG23 THR 7 -7.332 -15.692 -6.742 58 H TYR 8 H TYR 8 -8.942 -10.803 -4.043 59 HA TYR 8 HA TYR 8 -11.590 -11.271 -4.938 60 HB2 TYR 8 HB2 TYR 8 -12.570 -11.960 -2.763 61 HB3 TYR 8 HB3 TYR 8 -11.512 -13.185 -3.454 62 HD1 TYR 8 HD1 TYR 8 -12.202 -11.151 -0.595 63 HD2 TYR 8 HD2 TYR 8 -9.124 -13.336 -2.559 64 HE1 TYR 8 HE1 TYR 8 -10.916 -11.212 1.501 65 HE2 TYR 8 HE2 TYR 8 -7.830 -13.404 -0.468 66 HH TYR 8 HH TYR 8 -9.144 -12.113 2.549 67 H ARG 9 H ARG 9 -13.121 -10.143 -3.052 68 HA ARG 9 HA ARG 9 -11.878 -7.502 -2.671 69 HB2 ARG 9 HB2 ARG 9 -14.786 -8.259 -2.998 70 HB3 ARG 9 HB3 ARG 9 -14.211 -6.632 -2.658 71 HG2 ARG 9 HG2 ARG 9 -13.044 -6.559 -4.769 72 HG3 ARG 9 HG3 ARG 9 -13.488 -8.234 -5.101 73 HD2 ARG 9 HD2 ARG 9 -15.795 -7.670 -5.278 74 HD3 ARG 9 HD3 ARG 9 -15.506 -6.045 -4.657 75 HE ARG 9 HE ARG 9 -14.899 -5.392 -6.763 76 HH11 ARG 9 HH11 ARG 9 -14.842 -8.868 -6.593 77 HH12 ARG 9 HH12 ARG 9 -14.572 -9.077 -8.292 78 HH21 ARG 9 HH21 ARG 9 -14.544 -5.653 -9.001 79 HH22 ARG 9 HH22 ARG 9 -14.402 -7.248 -9.660 80 HA PRO 10 HA PRO 10 -12.389 -9.097 1.609 81 HB2 PRO 10 HB2 PRO 10 -10.189 -7.828 2.567 82 HB3 PRO 10 HB3 PRO 10 -10.117 -9.401 1.764 83 HG2 PRO 10 HG2 PRO 10 -9.545 -6.681 0.654 84 HG3 PRO 10 HG3 PRO 10 -8.651 -8.195 0.422 85 HD2 PRO 10 HD2 PRO 10 -10.373 -7.222 -1.427 86 HD3 PRO 10 HD3 PRO 10 -10.117 -8.962 -1.182 87 H SER 11 H SER 11 -12.665 -7.905 3.635 88 HA SER 11 HA SER 11 -14.277 -5.626 3.325 89 HB2 SER 11 HB2 SER 11 -14.539 -7.125 5.231 90 HB3 SER 11 HB3 SER 11 -12.926 -6.710 5.809 91 HG SER 11 HG SER 11 -14.688 -5.556 6.839 92 H VAL 12 H VAL 12 -10.998 -5.936 4.684 93 HA VAL 12 HA VAL 12 -10.374 -3.253 3.737 94 HB VAL 12 HB VAL 12 -9.345 -2.690 5.985 95 HG11 VAL 12 HG11 VAL 12 -11.600 -1.893 4.988 96 HG12 VAL 12 HG12 VAL 12 -12.319 -2.925 6.226 97 HG13 VAL 12 HG13 VAL 12 -11.260 -1.593 6.692 98 HG21 VAL 12 HG21 VAL 12 -9.656 -3.966 7.815 99 HG22 VAL 12 HG22 VAL 12 -11.290 -4.433 7.343 100 HG23 VAL 12 HG23 VAL 12 -9.898 -5.255 6.636 101 HA PRO 13 HA PRO 13 -6.421 -4.994 2.950 102 HB2 PRO 13 HB2 PRO 13 -4.829 -2.808 3.193 103 HB3 PRO 13 HB3 PRO 13 -5.924 -3.052 1.827 104 HG2 PRO 13 HG2 PRO 13 -6.302 -1.381 4.282 105 HG3 PRO 13 HG3 PRO 13 -6.686 -0.994 2.595 106 HD2 PRO 13 HD2 PRO 13 -8.565 -1.802 4.369 107 HD3 PRO 13 HD3 PRO 13 -8.657 -2.188 2.638 108 H ALA 14 H ALA 14 -4.259 -5.339 3.868 109 HA ALA 14 HA ALA 14 -4.394 -5.864 6.668 110 HB1 ALA 14 HB1 ALA 14 -3.181 -7.425 5.402 111 HB2 ALA 14 HB2 ALA 14 -2.222 -6.170 4.616 112 HB3 ALA 14 HB3 ALA 14 -1.964 -6.539 6.321 113 H HIS 15 H HIS 15 -2.866 -3.403 4.680 114 HA HIS 15 HA HIS 15 -2.627 -1.614 6.879 115 HB2 HIS 15 HB2 HIS 15 -0.163 -1.398 6.863 116 HB3 HIS 15 HB3 HIS 15 -0.689 -2.984 7.418 117 HD1 HIS 15 HD1 HIS 15 -0.691 -4.852 5.350 118 HD2 HIS 15 HD2 HIS 15 1.787 -1.536 5.002 119 HE1 HIS 15 HE1 HIS 15 1.039 -5.482 3.637 120 H ARG 16 H ARG 16 -2.612 0.440 6.162 121 HA ARG 16 HA ARG 16 -1.953 0.891 3.325 122 HB2 ARG 16 HB2 ARG 16 -3.726 2.677 3.371 123 HB3 ARG 16 HB3 ARG 16 -4.327 1.029 3.493 124 HG2 ARG 16 HG2 ARG 16 -4.974 1.277 5.679 125 HG3 ARG 16 HG3 ARG 16 -3.808 2.565 5.990 126 HD2 ARG 16 HD2 ARG 16 -6.237 2.840 4.225 127 HD3 ARG 16 HD3 ARG 16 -6.169 3.341 5.914 128 HE ARG 16 HE ARG 16 -5.109 4.743 3.665 129 HH11 ARG 16 HH11 ARG 16 -4.664 4.136 7.064 130 HH12 ARG 16 HH12 ARG 16 -3.840 5.632 7.356 131 HH21 ARG 16 HH21 ARG 16 -4.026 6.716 4.037 132 HH22 ARG 16 HH22 ARG 16 -3.479 7.099 5.634 133 H ARG 17 H ARG 17 -0.089 1.175 5.394 134 HA ARG 17 HA ARG 17 0.468 4.032 5.170 135 HB2 ARG 17 HB2 ARG 17 0.065 2.534 7.721 136 HB3 ARG 17 HB3 ARG 17 1.304 3.781 7.669 137 HG2 ARG 17 HG2 ARG 17 -1.566 4.242 6.899 138 HG3 ARG 17 HG3 ARG 17 -0.913 4.543 8.510 139 HD2 ARG 17 HD2 ARG 17 0.507 5.748 6.200 140 HD3 ARG 17 HD3 ARG 17 -1.052 6.438 6.649 141 HE ARG 17 HE ARG 17 0.511 6.175 8.960 142 HH11 ARG 17 HH11 ARG 17 0.414 8.012 6.004 143 HH12 ARG 17 HH12 ARG 17 1.208 9.393 6.683 144 HH21 ARG 17 HH21 ARG 17 1.558 7.987 9.866 145 HH22 ARG 17 HH22 ARG 17 1.859 9.378 8.880 146 H VAL 18 H VAL 18 2.756 4.422 6.235 147 HA VAL 18 HA VAL 18 4.564 2.694 4.811 148 HB VAL 18 HB VAL 18 4.911 5.140 4.901 149 HG11 VAL 18 HG11 VAL 18 5.996 4.964 7.656 150 HG12 VAL 18 HG12 VAL 18 5.268 6.330 6.808 151 HG13 VAL 18 HG13 VAL 18 4.245 5.056 7.472 152 HG21 VAL 18 HG21 VAL 18 7.250 3.884 6.278 153 HG22 VAL 18 HG22 VAL 18 6.768 3.339 4.671 154 HG23 VAL 18 HG23 VAL 18 7.224 5.023 4.931 155 H ARG 19 H ARG 19 3.553 3.148 8.114 156 HA ARG 19 HA ARG 19 5.252 0.884 8.895 157 HB2 ARG 19 HB2 ARG 19 4.912 3.463 10.434 158 HB3 ARG 19 HB3 ARG 19 5.644 2.007 11.095 159 HG2 ARG 19 HG2 ARG 19 6.704 3.259 8.592 160 HG3 ARG 19 HG3 ARG 19 7.174 3.857 10.184 161 HD2 ARG 19 HD2 ARG 19 8.825 2.321 9.886 162 HD3 ARG 19 HD3 ARG 19 7.603 1.271 10.603 163 HE ARG 19 HE ARG 19 7.365 1.340 7.774 164 HH11 ARG 19 HH11 ARG 19 9.268 -0.003 10.361 165 HH12 ARG 19 HH12 ARG 19 9.754 -1.397 9.454 166 HH21 ARG 19 HH21 ARG 19 7.998 -0.491 6.570 167 HH22 ARG 19 HH22 ARG 19 9.032 -1.673 7.298 168 H GLU 20 H GLU 20 3.055 -0.077 8.419 169 HA GLU 20 HA GLU 20 1.550 -0.196 10.926 170 HB2 GLU 20 HB2 GLU 20 0.508 0.655 8.280 171 HB3 GLU 20 HB3 GLU 20 -0.509 -0.426 9.221 172 HG2 GLU 20 HG2 GLU 20 -0.345 1.168 11.119 173 HG3 GLU 20 HG3 GLU 20 0.522 2.273 10.054 174 H SER 21 H SER 21 0.780 -2.195 11.436 175 HA SER 21 HA SER 21 0.444 -4.298 9.555 176 HB2 SER 21 HB2 SER 21 2.287 -5.760 10.454 177 HB3 SER 21 HB3 SER 21 2.846 -4.390 9.494 178 HG SER 21 HG SER 21 3.576 -3.410 11.281 179 HA PRO 22 HA PRO 22 -1.672 -4.661 13.686 180 HB2 PRO 22 HB2 PRO 22 -4.172 -4.899 12.655 181 HB3 PRO 22 HB3 PRO 22 -3.424 -3.337 13.009 182 HG2 PRO 22 HG2 PRO 22 -3.668 -4.771 10.392 183 HG3 PRO 22 HG3 PRO 22 -3.910 -3.051 10.753 184 HD2 PRO 22 HD2 PRO 22 -1.630 -4.000 9.641 185 HD3 PRO 22 HD3 PRO 22 -1.649 -2.600 10.733 186 H LEU 23 H LEU 23 -0.277 -6.725 13.122 187 HA LEU 23 HA LEU 23 -1.298 -8.945 11.848 188 HB2 LEU 23 HB2 LEU 23 0.972 -8.751 12.803 189 HB3 LEU 23 HB3 LEU 23 0.284 -8.931 14.415 190 HG LEU 23 HG LEU 23 -0.284 -11.197 14.019 191 HD11 LEU 23 HD11 LEU 23 -0.094 -10.397 11.205 192 HD12 LEU 23 HD12 LEU 23 -1.110 -11.614 11.978 193 HD13 LEU 23 HD13 LEU 23 0.563 -11.994 11.567 194 HD21 LEU 23 HD21 LEU 23 2.403 -10.242 13.574 195 HD22 LEU 23 HD22 LEU 23 2.128 -11.778 12.751 196 HD23 LEU 23 HD23 LEU 23 1.843 -11.643 14.487 197 H SER 24 H SER 24 -1.466 -8.424 15.376 198 HA SER 24 HA SER 24 -3.665 -10.311 15.558 199 HB2 SER 24 HB2 SER 24 -2.249 -8.721 17.712 200 HB3 SER 24 HB3 SER 24 -3.447 -9.983 17.996 201 HG SER 24 HG SER 24 -2.015 -11.477 17.504 202 H SER 25 H SER 25 -3.192 -6.923 15.356 203 HA SER 25 HA SER 25 -5.484 -6.015 16.724 204 HB2 SER 25 HB2 SER 25 -3.380 -4.860 15.212 205 HB3 SER 25 HB3 SER 25 -4.894 -4.296 14.505 206 HG SER 25 HG SER 25 -3.975 -3.063 16.346 207 H ASP 26 H ASP 26 -4.986 -7.260 13.498 208 HA ASP 26 HA ASP 26 -7.681 -6.548 12.664 209 HB2 ASP 26 HB2 ASP 26 -5.345 -7.852 11.281 210 HB3 ASP 26 HB3 ASP 26 -6.948 -7.823 10.552 211 H ALA 27 H ALA 27 -5.924 -9.267 13.896 212 HA ALA 27 HA ALA 27 -7.648 -11.333 13.040 213 HB1 ALA 27 HB1 ALA 27 -5.253 -11.268 14.297 214 HB2 ALA 27 HB2 ALA 27 -6.317 -11.713 15.632 215 HB3 ALA 27 HB3 ALA 27 -6.271 -12.703 14.173 216 H ILE 28 H ILE 28 -7.902 -8.963 15.535 217 HA ILE 28 HA ILE 28 -9.594 -10.216 17.355 218 HB ILE 28 HB ILE 28 -10.313 -8.020 18.051 219 HG12 ILE 28 HG12 ILE 28 -9.169 -6.111 16.524 220 HG13 ILE 28 HG13 ILE 28 -9.522 -7.308 15.283 221 HG21 ILE 28 HG21 ILE 28 -7.748 -6.990 17.635 222 HG22 ILE 28 HG22 ILE 28 -8.316 -7.924 19.018 223 HG23 ILE 28 HG23 ILE 28 -7.558 -8.743 17.652 224 HD11 ILE 28 HD11 ILE 28 -11.500 -6.274 15.191 225 HD12 ILE 28 HD12 ILE 28 -11.874 -7.237 16.622 226 HD13 ILE 28 HD13 ILE 28 -11.323 -5.571 16.799 227 H PHE 29 H PHE 29 -10.262 -8.863 14.206 228 HA PHE 29 HA PHE 29 -13.140 -9.195 14.576 229 HB2 PHE 29 HB2 PHE 29 -11.883 -7.209 13.356 230 HB3 PHE 29 HB3 PHE 29 -11.948 -8.311 11.985 231 HD1 PHE 29 HD1 PHE 29 -13.900 -6.244 14.280 232 HD2 PHE 29 HD2 PHE 29 -14.049 -8.881 10.942 233 HE1 PHE 29 HE1 PHE 29 -16.208 -5.527 13.821 234 HE2 PHE 29 HE2 PHE 29 -16.357 -8.168 10.477 235 HZ PHE 29 HZ PHE 29 -17.439 -6.488 11.917 236 H LYS 30 H LYS 30 -10.517 -10.987 13.540 237 HA LYS 30 HA LYS 30 -11.382 -12.354 11.295 238 HB2 LYS 30 HB2 LYS 30 -9.141 -12.537 12.474 239 HB3 LYS 30 HB3 LYS 30 -9.917 -13.650 13.593 240 HG2 LYS 30 HG2 LYS 30 -10.177 -14.214 10.695 241 HG3 LYS 30 HG3 LYS 30 -8.605 -14.481 11.451 242 HD2 LYS 30 HD2 LYS 30 -9.374 -16.187 12.766 243 HD3 LYS 30 HD3 LYS 30 -11.016 -15.543 12.829 244 HE2 LYS 30 HE2 LYS 30 -11.172 -16.146 10.360 245 HE3 LYS 30 HE3 LYS 30 -9.691 -17.071 10.604 246 HZ1 LYS 30 HZ1 LYS 30 -11.819 -17.571 12.513 247 HZ2 LYS 30 HZ2 LYS 30 -10.769 -18.656 11.753 248 HZ3 LYS 30 HZ3 LYS 30 -12.130 -18.080 10.930 249 H GLN 31 H GLN 31 -12.446 -12.622 14.595 250 HA GLN 31 HA GLN 31 -13.608 -15.133 14.622 251 HB2 GLN 31 HB2 GLN 31 -13.418 -13.561 16.564 252 HB3 GLN 31 HB3 GLN 31 -14.772 -12.656 15.901 253 HG2 GLN 31 HG2 GLN 31 -15.519 -14.131 17.659 254 HG3 GLN 31 HG3 GLN 31 -16.195 -14.630 16.109 255 HE21 GLN 31 HE21 GLN 31 -15.876 -16.653 15.436 256 HE22 GLN 31 HE22 GLN 31 -14.855 -17.810 16.213 257 H SER 32 H SER 32 -14.721 -12.178 13.124 258 HA SER 32 HA SER 32 -17.394 -12.722 12.703 259 HB2 SER 32 HB2 SER 32 -17.303 -11.178 10.855 260 HB3 SER 32 HB3 SER 32 -16.193 -10.599 12.098 261 HG SER 32 HG SER 32 -14.575 -11.885 10.804 262 H HIS 33 H HIS 33 -14.594 -14.090 11.142 263 HA HIS 33 HA HIS 33 -16.319 -15.563 9.274 264 HB2 HIS 33 HB2 HIS 33 -13.313 -15.220 9.261 265 HB3 HIS 33 HB3 HIS 33 -14.252 -16.079 8.043 266 HD1 HIS 33 HD1 HIS 33 -12.500 -13.721 7.213 267 HD2 HIS 33 HD2 HIS 33 -16.512 -13.366 8.234 268 HE1 HIS 33 HE1 HIS 33 -13.292 -11.608 6.103 Start of MODEL 18 1 H1 ASN 1 H ASN 1 1.300 -0.695 2.101 2 HA ASN 1 HA ASN 1 1.976 0.190 -0.434 3 HB2 ASN 1 HB2 ASN 1 3.061 -1.919 1.385 4 HB3 ASN 1 HB3 ASN 1 3.667 -1.837 -0.266 5 HD21 ASN 1 HD21 ASN 1 3.015 0.249 2.523 6 HD22 ASN 1 HD22 ASN 1 4.407 1.251 2.316 7 H VAL 2 H VAL 2 -0.610 -1.274 -0.326 8 HA VAL 2 HA VAL 2 -0.323 -3.701 -1.792 9 HB VAL 2 HB VAL 2 -2.310 -3.271 -0.431 10 HG11 VAL 2 HG11 VAL 2 -3.762 -1.535 -0.721 11 HG12 VAL 2 HG12 VAL 2 -2.275 -0.760 -1.270 12 HG13 VAL 2 HG13 VAL 2 -3.426 -1.396 -2.446 13 HG21 VAL 2 HG21 VAL 2 -2.234 -4.540 -2.805 14 HG22 VAL 2 HG22 VAL 2 -3.662 -4.487 -1.771 15 HG23 VAL 2 HG23 VAL 2 -3.511 -3.365 -3.123 16 H ASP 3 H ASP 3 -0.187 -4.047 -3.923 17 HA ASP 3 HA ASP 3 0.261 -1.846 -5.688 18 HB2 ASP 3 HB2 ASP 3 1.161 -4.362 -5.696 19 HB3 ASP 3 HB3 ASP 3 -0.212 -4.575 -6.778 20 H VAL 4 H VAL 4 -0.849 -2.094 -7.987 21 HA VAL 4 HA VAL 4 -3.759 -2.177 -7.511 22 HB VAL 4 HB VAL 4 -2.733 0.103 -7.971 23 HG11 VAL 4 HG11 VAL 4 -1.655 0.569 -9.883 24 HG12 VAL 4 HG12 VAL 4 -1.427 -1.178 -9.989 25 HG13 VAL 4 HG13 VAL 4 -2.755 -0.406 -10.857 26 HG21 VAL 4 HG21 VAL 4 -4.939 0.344 -8.294 27 HG22 VAL 4 HG22 VAL 4 -4.535 0.325 -10.011 28 HG23 VAL 4 HG23 VAL 4 -5.066 -1.156 -9.214 29 H ARG 5 H ARG 5 -1.860 -4.282 -8.488 30 HA ARG 5 HA ARG 5 -3.110 -4.770 -11.112 31 HB2 ARG 5 HB2 ARG 5 -1.054 -6.380 -11.334 32 HB3 ARG 5 HB3 ARG 5 -0.869 -4.661 -11.653 33 HG2 ARG 5 HG2 ARG 5 0.982 -5.459 -10.335 34 HG3 ARG 5 HG3 ARG 5 -0.000 -4.351 -9.375 35 HD2 ARG 5 HD2 ARG 5 0.664 -6.299 -8.066 36 HD3 ARG 5 HD3 ARG 5 -1.084 -6.247 -8.286 37 HE ARG 5 HE ARG 5 0.139 -7.827 -10.297 38 HH11 ARG 5 HH11 ARG 5 -0.764 -7.857 -6.935 39 HH12 ARG 5 HH12 ARG 5 -0.938 -9.579 -6.862 40 HH21 ARG 5 HH21 ARG 5 -0.086 -10.095 -10.214 41 HH22 ARG 5 HH22 ARG 5 -0.551 -10.851 -8.728 42 H TYR 6 H TYR 6 -4.224 -5.425 -8.515 43 HA TYR 6 HA TYR 6 -3.852 -8.039 -7.691 44 HB2 TYR 6 HB2 TYR 6 -6.238 -7.919 -6.904 45 HB3 TYR 6 HB3 TYR 6 -5.228 -6.571 -6.391 46 HD1 TYR 6 HD1 TYR 6 -5.655 -4.336 -7.163 47 HD2 TYR 6 HD2 TYR 6 -7.962 -7.596 -8.628 48 HE1 TYR 6 HE1 TYR 6 -7.275 -2.751 -8.118 49 HE2 TYR 6 HE2 TYR 6 -9.588 -6.021 -9.589 50 HH TYR 6 HH TYR 6 -9.705 -2.775 -8.774 51 H THR 7 H THR 7 -5.659 -9.768 -7.921 52 HA THR 7 HA THR 7 -6.413 -10.021 -10.757 53 HB THR 7 HB THR 7 -5.997 -12.623 -9.685 54 HG1 THR 7 HG1 THR 7 -3.852 -12.517 -9.062 55 HG21 THR 7 HG21 THR 7 -5.745 -12.471 -11.961 56 HG22 THR 7 HG22 THR 7 -4.053 -12.435 -11.464 57 HG23 THR 7 HG23 THR 7 -4.885 -10.935 -11.873 58 H TYR 8 H TYR 8 -7.738 -9.427 -8.002 59 HA TYR 8 HA TYR 8 -10.251 -10.540 -8.617 60 HB2 TYR 8 HB2 TYR 8 -10.530 -12.138 -6.820 61 HB3 TYR 8 HB3 TYR 8 -9.147 -12.611 -7.800 62 HD1 TYR 8 HD1 TYR 8 -10.302 -12.105 -4.518 63 HD2 TYR 8 HD2 TYR 8 -6.821 -11.723 -6.934 64 HE1 TYR 8 HE1 TYR 8 -8.901 -12.168 -2.498 65 HE2 TYR 8 HE2 TYR 8 -5.409 -11.786 -4.921 66 HH TYR 8 HH TYR 8 -6.697 -12.575 -1.798 67 H ARG 9 H ARG 9 -11.525 -10.569 -6.220 68 HA ARG 9 HA ARG 9 -11.069 -7.835 -5.228 69 HB2 ARG 9 HB2 ARG 9 -13.248 -8.355 -6.407 70 HB3 ARG 9 HB3 ARG 9 -13.637 -9.412 -5.056 71 HG2 ARG 9 HG2 ARG 9 -13.751 -7.613 -3.545 72 HG3 ARG 9 HG3 ARG 9 -12.966 -6.512 -4.678 73 HD2 ARG 9 HD2 ARG 9 -15.326 -6.031 -4.604 74 HD3 ARG 9 HD3 ARG 9 -14.919 -6.718 -6.176 75 HE ARG 9 HE ARG 9 -15.745 -8.777 -4.450 76 HH11 ARG 9 HH11 ARG 9 -17.023 -6.031 -6.167 77 HH12 ARG 9 HH12 ARG 9 -18.611 -6.705 -6.326 78 HH21 ARG 9 HH21 ARG 9 -17.832 -9.675 -4.653 79 HH22 ARG 9 HH22 ARG 9 -19.070 -8.778 -5.464 80 HA PRO 10 HA PRO 10 -9.982 -10.522 -1.656 81 HB2 PRO 10 HB2 PRO 10 -8.055 -8.854 -0.720 82 HB3 PRO 10 HB3 PRO 10 -7.755 -10.058 -1.980 83 HG2 PRO 10 HG2 PRO 10 -8.272 -7.122 -2.250 84 HG3 PRO 10 HG3 PRO 10 -7.081 -8.130 -3.092 85 HD2 PRO 10 HD2 PRO 10 -9.422 -7.382 -4.230 86 HD3 PRO 10 HD3 PRO 10 -8.636 -8.932 -4.593 87 H SER 11 H SER 11 -10.052 -10.038 0.660 88 HA SER 11 HA SER 11 -12.216 -8.298 1.296 89 HB2 SER 11 HB2 SER 11 -10.440 -10.147 2.827 90 HB3 SER 11 HB3 SER 11 -11.357 -8.938 3.726 91 HG SER 11 HG SER 11 -12.289 -11.077 2.156 92 H VAL 12 H VAL 12 -8.788 -8.296 2.283 93 HA VAL 12 HA VAL 12 -8.755 -5.397 2.219 94 HB VAL 12 HB VAL 12 -7.753 -5.301 4.546 95 HG11 VAL 12 HG11 VAL 12 -9.827 -4.909 5.548 96 HG12 VAL 12 HG12 VAL 12 -10.130 -4.664 3.827 97 HG13 VAL 12 HG13 VAL 12 -10.624 -6.168 4.606 98 HG21 VAL 12 HG21 VAL 12 -7.515 -7.864 4.584 99 HG22 VAL 12 HG22 VAL 12 -8.034 -7.052 6.060 100 HG23 VAL 12 HG23 VAL 12 -9.218 -7.870 5.040 101 HA PRO 13 HA PRO 13 -4.581 -6.028 1.013 102 HB2 PRO 13 HB2 PRO 13 -3.429 -3.732 1.892 103 HB3 PRO 13 HB3 PRO 13 -4.517 -3.789 0.501 104 HG2 PRO 13 HG2 PRO 13 -5.098 -2.992 3.327 105 HG3 PRO 13 HG3 PRO 13 -5.625 -2.225 1.817 106 HD2 PRO 13 HD2 PRO 13 -7.232 -3.858 3.262 107 HD3 PRO 13 HD3 PRO 13 -7.326 -3.747 1.493 108 H ALA 14 H ALA 14 -2.354 -6.188 1.819 109 HA ALA 14 HA ALA 14 -2.220 -7.575 4.279 110 HB1 ALA 14 HB1 ALA 14 -0.109 -6.556 2.398 111 HB2 ALA 14 HB2 ALA 14 0.282 -7.433 3.878 112 HB3 ALA 14 HB3 ALA 14 -0.677 -8.211 2.619 113 H HIS 15 H HIS 15 -1.234 -4.313 3.313 114 HA HIS 15 HA HIS 15 -1.674 -3.186 5.838 115 HB2 HIS 15 HB2 HIS 15 0.768 -2.686 6.384 116 HB3 HIS 15 HB3 HIS 15 0.209 -4.325 6.705 117 HD1 HIS 15 HD1 HIS 15 1.306 -6.215 5.411 118 HD2 HIS 15 HD2 HIS 15 2.542 -2.447 4.172 119 HE1 HIS 15 HE1 HIS 15 3.266 -6.618 3.888 120 H ARG 16 H ARG 16 -1.988 -1.082 5.512 121 HA ARG 16 HA ARG 16 -0.927 0.109 3.051 122 HB2 ARG 16 HB2 ARG 16 -2.664 1.835 3.382 123 HB3 ARG 16 HB3 ARG 16 -3.339 0.215 3.277 124 HG2 ARG 16 HG2 ARG 16 -3.837 0.145 5.556 125 HG3 ARG 16 HG3 ARG 16 -2.757 1.492 5.923 126 HD2 ARG 16 HD2 ARG 16 -5.157 1.828 4.151 127 HD3 ARG 16 HD3 ARG 16 -5.280 1.943 5.906 128 HE ARG 16 HE ARG 16 -3.224 3.629 5.165 129 HH11 ARG 16 HH11 ARG 16 -6.634 3.333 4.531 130 HH12 ARG 16 HH12 ARG 16 -6.872 5.034 4.303 131 HH21 ARG 16 HH21 ARG 16 -3.525 5.871 4.867 132 HH22 ARG 16 HH22 ARG 16 -5.103 6.477 4.493 133 H ARG 17 H ARG 17 0.869 -0.194 5.174 134 HA ARG 17 HA ARG 17 1.781 2.496 5.462 135 HB2 ARG 17 HB2 ARG 17 0.059 1.544 7.485 136 HB3 ARG 17 HB3 ARG 17 1.681 1.513 8.163 137 HG2 ARG 17 HG2 ARG 17 1.215 3.644 8.688 138 HG3 ARG 17 HG3 ARG 17 1.697 3.948 7.018 139 HD2 ARG 17 HD2 ARG 17 -0.464 4.249 6.306 140 HD3 ARG 17 HD3 ARG 17 -1.137 3.228 7.576 141 HE ARG 17 HE ARG 17 -0.001 5.542 8.717 142 HH11 ARG 17 HH11 ARG 17 -2.727 4.517 6.809 143 HH12 ARG 17 HH12 ARG 17 -3.762 5.789 7.367 144 HH21 ARG 17 HH21 ARG 17 -1.354 7.221 9.459 145 HH22 ARG 17 HH22 ARG 17 -2.980 7.328 8.874 146 H VAL 18 H VAL 18 3.598 2.289 7.452 147 HA VAL 18 HA VAL 18 5.267 0.015 6.596 148 HB VAL 18 HB VAL 18 6.118 2.260 5.935 149 HG11 VAL 18 HG11 VAL 18 6.446 3.957 7.375 150 HG12 VAL 18 HG12 VAL 18 5.276 3.091 8.373 151 HG13 VAL 18 HG13 VAL 18 7.005 2.892 8.664 152 HG21 VAL 18 HG21 VAL 18 8.198 1.456 6.080 153 HG22 VAL 18 HG22 VAL 18 8.175 1.479 7.843 154 HG23 VAL 18 HG23 VAL 18 7.490 0.108 6.970 155 H ARG 19 H ARG 19 3.904 1.726 9.277 156 HA ARG 19 HA ARG 19 5.346 -0.039 11.144 157 HB2 ARG 19 HB2 ARG 19 4.291 2.755 11.431 158 HB3 ARG 19 HB3 ARG 19 4.505 1.740 12.851 159 HG2 ARG 19 HG2 ARG 19 6.893 1.415 12.115 160 HG3 ARG 19 HG3 ARG 19 6.605 2.684 10.923 161 HD2 ARG 19 HD2 ARG 19 6.145 3.028 13.880 162 HD3 ARG 19 HD3 ARG 19 7.652 3.454 13.069 163 HE ARG 19 HE ARG 19 5.335 4.668 11.888 164 HH11 ARG 19 HH11 ARG 19 7.741 4.943 14.389 165 HH12 ARG 19 HH12 ARG 19 7.595 6.664 14.521 166 HH21 ARG 19 HH21 ARG 19 5.133 6.934 12.053 167 HH22 ARG 19 HH22 ARG 19 6.111 7.796 13.192 168 H GLU 20 H GLU 20 3.002 -0.796 9.638 169 HA GLU 20 HA GLU 20 0.993 -0.992 11.781 170 HB2 GLU 20 HB2 GLU 20 0.793 -0.872 8.808 171 HB3 GLU 20 HB3 GLU 20 -0.416 -1.801 9.682 172 HG2 GLU 20 HG2 GLU 20 0.218 1.117 10.039 173 HG3 GLU 20 HG3 GLU 20 -1.227 0.427 9.301 174 H SER 21 H SER 21 -0.240 -3.047 11.840 175 HA SER 21 HA SER 21 0.949 -5.397 10.693 176 HB2 SER 21 HB2 SER 21 1.514 -6.459 12.868 177 HB3 SER 21 HB3 SER 21 2.523 -5.056 12.517 178 HG SER 21 HG SER 21 0.638 -3.987 13.803 179 HA PRO 22 HA PRO 22 -3.577 -5.571 11.788 180 HB2 PRO 22 HB2 PRO 22 -4.403 -6.267 9.297 181 HB3 PRO 22 HB3 PRO 22 -4.196 -4.587 9.806 182 HG2 PRO 22 HG2 PRO 22 -2.350 -6.326 8.215 183 HG3 PRO 22 HG3 PRO 22 -2.788 -4.627 7.956 184 HD2 PRO 22 HD2 PRO 22 -0.464 -5.370 9.130 185 HD3 PRO 22 HD3 PRO 22 -1.314 -3.872 9.559 186 H LEU 23 H LEU 23 -2.269 -7.471 12.860 187 HA LEU 23 HA LEU 23 -2.799 -9.981 11.431 188 HB2 LEU 23 HB2 LEU 23 -0.944 -9.220 13.652 189 HB3 LEU 23 HB3 LEU 23 -1.408 -10.904 13.416 190 HG LEU 23 HG LEU 23 0.735 -10.488 12.388 191 HD11 LEU 23 HD11 LEU 23 -1.300 -11.787 11.224 192 HD12 LEU 23 HD12 LEU 23 0.313 -11.684 10.520 193 HD13 LEU 23 HD13 LEU 23 -0.958 -10.592 9.973 194 HD21 LEU 23 HD21 LEU 23 -0.202 -7.974 11.880 195 HD22 LEU 23 HD22 LEU 23 -0.244 -8.713 10.279 196 HD23 LEU 23 HD23 LEU 23 1.265 -8.671 11.192 197 H SER 24 H SER 24 -2.892 -8.838 14.812 198 HA SER 24 HA SER 24 -5.118 -10.663 15.322 199 HB2 SER 24 HB2 SER 24 -3.675 -8.949 17.348 200 HB3 SER 24 HB3 SER 24 -4.660 -10.381 17.647 201 HG SER 24 HG SER 24 -2.563 -11.047 17.730 202 H SER 25 H SER 25 -5.580 -8.339 13.712 203 HA SER 25 HA SER 25 -6.897 -6.373 15.361 204 HB2 SER 25 HB2 SER 25 -5.759 -5.834 13.181 205 HB3 SER 25 HB3 SER 25 -7.062 -6.690 12.356 206 HG SER 25 HG SER 25 -7.637 -4.628 14.186 207 H ASP 26 H ASP 26 -7.910 -8.884 13.063 208 HA ASP 26 HA ASP 26 -10.706 -8.437 13.596 209 HB2 ASP 26 HB2 ASP 26 -9.184 -10.453 11.957 210 HB3 ASP 26 HB3 ASP 26 -10.921 -10.597 12.211 211 H ALA 27 H ALA 27 -8.186 -10.485 14.808 212 HA ALA 27 HA ALA 27 -9.688 -12.572 15.904 213 HB1 ALA 27 HB1 ALA 27 -7.043 -11.358 16.609 214 HB2 ALA 27 HB2 ALA 27 -7.736 -12.650 17.590 215 HB3 ALA 27 HB3 ALA 27 -7.393 -12.927 15.883 216 H ILE 28 H ILE 28 -9.423 -9.276 16.842 217 HA ILE 28 HA ILE 28 -10.027 -9.498 19.588 218 HB ILE 28 HB ILE 28 -10.617 -7.232 17.681 219 HG12 ILE 28 HG12 ILE 28 -8.363 -7.509 19.674 220 HG13 ILE 28 HG13 ILE 28 -8.207 -7.931 17.972 221 HG21 ILE 28 HG21 ILE 28 -10.598 -7.273 20.696 222 HG22 ILE 28 HG22 ILE 28 -10.780 -5.837 19.690 223 HG23 ILE 28 HG23 ILE 28 -12.017 -7.093 19.665 224 HD11 ILE 28 HD11 ILE 28 -8.831 -5.210 19.091 225 HD12 ILE 28 HD12 ILE 28 -7.310 -5.735 18.367 226 HD13 ILE 28 HD13 ILE 28 -8.764 -5.613 17.376 227 H PHE 29 H PHE 29 -11.980 -9.720 16.737 228 HA PHE 29 HA PHE 29 -14.458 -9.459 18.258 229 HB2 PHE 29 HB2 PHE 29 -14.242 -8.364 16.031 230 HB3 PHE 29 HB3 PHE 29 -14.079 -9.957 15.298 231 HD1 PHE 29 HD1 PHE 29 -16.351 -7.478 16.583 232 HD2 PHE 29 HD2 PHE 29 -15.993 -11.551 15.400 233 HE1 PHE 29 HE1 PHE 29 -18.800 -7.636 16.397 234 HE2 PHE 29 HE2 PHE 29 -18.441 -11.715 15.211 235 HZ PHE 29 HZ PHE 29 -19.847 -9.756 15.709 236 H LYS 30 H LYS 30 -12.409 -11.861 16.837 237 HA LYS 30 HA LYS 30 -14.407 -13.953 16.953 238 HB2 LYS 30 HB2 LYS 30 -12.909 -15.276 15.819 239 HB3 LYS 30 HB3 LYS 30 -12.360 -13.683 15.313 240 HG2 LYS 30 HG2 LYS 30 -10.667 -13.774 17.149 241 HG3 LYS 30 HG3 LYS 30 -11.145 -15.452 17.421 242 HD2 LYS 30 HD2 LYS 30 -10.570 -15.958 15.070 243 HD3 LYS 30 HD3 LYS 30 -10.012 -14.295 14.874 244 HE2 LYS 30 HE2 LYS 30 -8.034 -15.357 15.346 245 HE3 LYS 30 HE3 LYS 30 -8.539 -14.870 16.964 246 HZ1 LYS 30 HZ1 LYS 30 -9.615 -17.409 16.266 247 HZ2 LYS 30 HZ2 LYS 30 -8.658 -16.980 17.593 248 HZ3 LYS 30 HZ3 LYS 30 -7.929 -17.414 16.130 249 H GLN 31 H GLN 31 -11.965 -12.621 18.989 250 HA GLN 31 HA GLN 31 -11.579 -14.905 20.653 251 HB2 GLN 31 HB2 GLN 31 -10.878 -12.005 20.818 252 HB3 GLN 31 HB3 GLN 31 -10.781 -12.983 22.276 253 HG2 GLN 31 HG2 GLN 31 -9.316 -13.472 19.694 254 HG3 GLN 31 HG3 GLN 31 -8.627 -12.865 21.199 255 HE21 GLN 31 HE21 GLN 31 -7.841 -15.197 19.717 256 HE22 GLN 31 HE22 GLN 31 -8.061 -16.554 20.762 257 H SER 32 H SER 32 -13.886 -12.305 20.546 258 HA SER 32 HA SER 32 -14.861 -12.607 23.208 259 HB2 SER 32 HB2 SER 32 -15.220 -10.516 22.044 260 HB3 SER 32 HB3 SER 32 -16.101 -11.338 20.756 261 HG SER 32 HG SER 32 -16.883 -10.968 23.452 262 H HIS 33 H HIS 33 -15.884 -13.831 20.048 263 HA HIS 33 HA HIS 33 -18.216 -15.144 20.982 264 HB2 HIS 33 HB2 HIS 33 -16.560 -15.309 18.489 265 HB3 HIS 33 HB3 HIS 33 -17.822 -16.502 18.779 266 HD1 HIS 33 HD1 HIS 33 -17.758 -12.708 19.154 267 HD2 HIS 33 HD2 HIS 33 -19.988 -15.729 17.376 268 HE1 HIS 33 HE1 HIS 33 -19.697 -11.550 18.047 Start of MODEL 19 1 H1 ASN 1 H ASN 1 1.685 0.724 2.592 2 HA ASN 1 HA ASN 1 0.381 0.334 0.277 3 HB2 ASN 1 HB2 ASN 1 2.598 0.688 -0.905 4 HB3 ASN 1 HB3 ASN 1 2.182 1.890 0.312 5 HD21 ASN 1 HD21 ASN 1 4.476 2.348 0.271 6 HD22 ASN 1 HD22 ASN 1 5.546 1.390 1.232 7 H VAL 2 H VAL 2 0.494 -2.200 1.690 8 HA VAL 2 HA VAL 2 1.466 -3.877 -0.523 9 HB VAL 2 HB VAL 2 1.743 -4.542 2.412 10 HG11 VAL 2 HG11 VAL 2 3.035 -6.502 1.514 11 HG12 VAL 2 HG12 VAL 2 1.296 -6.551 1.221 12 HG13 VAL 2 HG13 VAL 2 2.399 -6.100 -0.080 13 HG21 VAL 2 HG21 VAL 2 4.165 -4.451 1.963 14 HG22 VAL 2 HG22 VAL 2 3.825 -3.876 0.330 15 HG23 VAL 2 HG23 VAL 2 3.379 -2.890 1.722 16 H ASP 3 H ASP 3 0.221 -5.662 -1.022 17 HA ASP 3 HA ASP 3 -1.969 -6.509 0.617 18 HB2 ASP 3 HB2 ASP 3 -3.054 -4.551 -0.256 19 HB3 ASP 3 HB3 ASP 3 -2.531 -4.927 -1.895 20 H VAL 4 H VAL 4 -2.271 -8.607 0.260 21 HA VAL 4 HA VAL 4 -1.507 -9.705 -2.368 22 HB VAL 4 HB VAL 4 0.066 -10.260 -0.449 23 HG11 VAL 4 HG11 VAL 4 -0.569 -11.620 1.288 24 HG12 VAL 4 HG12 VAL 4 -2.040 -10.672 1.062 25 HG13 VAL 4 HG13 VAL 4 -1.931 -12.304 0.400 26 HG21 VAL 4 HG21 VAL 4 -1.160 -12.054 -2.410 27 HG22 VAL 4 HG22 VAL 4 0.541 -11.726 -2.079 28 HG23 VAL 4 HG23 VAL 4 -0.344 -12.883 -1.085 29 H ARG 5 H ARG 5 -4.138 -8.848 -1.212 30 HA ARG 5 HA ARG 5 -5.539 -11.436 -1.335 31 HB2 ARG 5 HB2 ARG 5 -6.133 -8.879 0.106 32 HB3 ARG 5 HB3 ARG 5 -7.458 -9.941 -0.350 33 HG2 ARG 5 HG2 ARG 5 -6.974 -10.616 1.804 34 HG3 ARG 5 HG3 ARG 5 -6.082 -11.782 0.825 35 HD2 ARG 5 HD2 ARG 5 -4.041 -10.883 1.369 36 HD3 ARG 5 HD3 ARG 5 -4.710 -9.280 1.674 37 HE ARG 5 HE ARG 5 -4.962 -9.869 3.861 38 HH11 ARG 5 HH11 ARG 5 -4.738 -12.771 1.951 39 HH12 ARG 5 HH12 ARG 5 -4.733 -13.830 3.322 40 HH21 ARG 5 HH21 ARG 5 -4.957 -11.252 5.674 41 HH22 ARG 5 HH22 ARG 5 -4.858 -12.965 5.440 42 H TYR 6 H TYR 6 -6.512 -11.837 -3.198 43 HA TYR 6 HA TYR 6 -7.915 -9.686 -4.586 44 HB2 TYR 6 HB2 TYR 6 -6.952 -10.425 -6.772 45 HB3 TYR 6 HB3 TYR 6 -5.777 -9.677 -5.695 46 HD1 TYR 6 HD1 TYR 6 -3.988 -10.984 -4.703 47 HD2 TYR 6 HD2 TYR 6 -6.844 -12.802 -7.280 48 HE1 TYR 6 HE1 TYR 6 -2.534 -12.956 -4.912 49 HE2 TYR 6 HE2 TYR 6 -5.398 -14.780 -7.496 50 HH TYR 6 HH TYR 6 -2.649 -15.276 -5.492 51 H THR 7 H THR 7 -8.800 -11.946 -3.032 52 HA THR 7 HA THR 7 -10.193 -13.483 -5.128 53 HB THR 7 HB THR 7 -10.382 -14.956 -2.751 54 HG1 THR 7 HG1 THR 7 -8.490 -14.825 -1.792 55 HG21 THR 7 HG21 THR 7 -8.700 -15.289 -5.231 56 HG22 THR 7 HG22 THR 7 -10.278 -15.999 -4.891 57 HG23 THR 7 HG23 THR 7 -8.858 -16.534 -3.993 58 H TYR 8 H TYR 8 -10.801 -10.954 -3.479 59 HA TYR 8 HA TYR 8 -13.583 -11.348 -3.277 60 HB2 TYR 8 HB2 TYR 8 -13.915 -11.248 -0.880 61 HB3 TYR 8 HB3 TYR 8 -12.906 -12.638 -1.264 62 HD1 TYR 8 HD1 TYR 8 -13.258 -9.831 0.827 63 HD2 TYR 8 HD2 TYR 8 -10.312 -12.194 -1.133 64 HE1 TYR 8 HE1 TYR 8 -11.565 -9.032 2.422 65 HE2 TYR 8 HE2 TYR 8 -8.611 -11.403 0.458 66 HH TYR 8 HH TYR 8 -9.381 -9.787 3.321 67 H ARG 9 H ARG 9 -14.350 -9.449 -1.489 68 HA ARG 9 HA ARG 9 -13.048 -7.029 -2.545 69 HB2 ARG 9 HB2 ARG 9 -15.881 -7.719 -1.929 70 HB3 ARG 9 HB3 ARG 9 -15.371 -6.051 -1.699 71 HG2 ARG 9 HG2 ARG 9 -16.074 -5.931 -3.853 72 HG3 ARG 9 HG3 ARG 9 -14.394 -6.395 -4.131 73 HD2 ARG 9 HD2 ARG 9 -15.558 -7.864 -5.493 74 HD3 ARG 9 HD3 ARG 9 -15.298 -8.816 -4.031 75 HE ARG 9 HE ARG 9 -17.763 -7.472 -3.847 76 HH11 ARG 9 HH11 ARG 9 -16.234 -10.078 -5.576 77 HH12 ARG 9 HH12 ARG 9 -17.709 -10.951 -5.827 78 HH21 ARG 9 HH21 ARG 9 -19.712 -8.612 -4.170 79 HH22 ARG 9 HH22 ARG 9 -19.687 -10.116 -5.028 80 HA PRO 10 HA PRO 10 -12.012 -7.001 1.937 81 HB2 PRO 10 HB2 PRO 10 -9.586 -5.834 1.583 82 HB3 PRO 10 HB3 PRO 10 -9.843 -7.577 1.444 83 HG2 PRO 10 HG2 PRO 10 -9.647 -5.513 -0.715 84 HG3 PRO 10 HG3 PRO 10 -8.930 -7.133 -0.648 85 HD2 PRO 10 HD2 PRO 10 -11.179 -6.593 -2.055 86 HD3 PRO 10 HD3 PRO 10 -10.891 -8.165 -1.281 87 H SER 11 H SER 11 -12.870 -5.410 3.102 88 HA SER 11 HA SER 11 -13.506 -2.868 2.062 89 HB2 SER 11 HB2 SER 11 -13.750 -2.394 4.668 90 HB3 SER 11 HB3 SER 11 -14.907 -3.407 3.805 91 HG SER 11 HG SER 11 -13.783 -4.169 5.882 92 H VAL 12 H VAL 12 -10.970 -3.919 4.318 93 HA VAL 12 HA VAL 12 -9.324 -1.668 3.485 94 HB VAL 12 HB VAL 12 -9.985 -2.134 6.397 95 HG11 VAL 12 HG11 VAL 12 -7.647 -1.461 5.976 96 HG12 VAL 12 HG12 VAL 12 -8.236 -0.026 5.133 97 HG13 VAL 12 HG13 VAL 12 -8.562 -0.236 6.854 98 HG21 VAL 12 HG21 VAL 12 -10.790 0.025 4.463 99 HG22 VAL 12 HG22 VAL 12 -11.834 -1.025 5.421 100 HG23 VAL 12 HG23 VAL 12 -10.877 0.227 6.213 101 HA PRO 13 HA PRO 13 -6.293 -4.879 3.744 102 HB2 PRO 13 HB2 PRO 13 -4.102 -3.319 3.375 103 HB3 PRO 13 HB3 PRO 13 -5.200 -3.758 2.062 104 HG2 PRO 13 HG2 PRO 13 -5.069 -1.227 3.656 105 HG3 PRO 13 HG3 PRO 13 -5.292 -1.439 1.909 106 HD2 PRO 13 HD2 PRO 13 -7.352 -0.923 3.589 107 HD3 PRO 13 HD3 PRO 13 -7.537 -1.911 2.126 108 H ALA 14 H ALA 14 -4.359 -5.434 5.004 109 HA ALA 14 HA ALA 14 -4.695 -4.853 7.754 110 HB1 ALA 14 HB1 ALA 14 -3.239 -6.713 6.191 111 HB2 ALA 14 HB2 ALA 14 -2.106 -5.933 7.296 112 HB3 ALA 14 HB3 ALA 14 -3.542 -6.738 7.929 113 H HIS 15 H HIS 15 -2.093 -3.995 5.472 114 HA HIS 15 HA HIS 15 -1.514 -1.653 7.152 115 HB2 HIS 15 HB2 HIS 15 0.643 -3.281 5.807 116 HB3 HIS 15 HB3 HIS 15 0.844 -1.981 6.979 117 HD1 HIS 15 HD1 HIS 15 -1.082 -2.930 9.168 118 HD2 HIS 15 HD2 HIS 15 1.594 -5.419 7.191 119 HE1 HIS 15 HE1 HIS 15 -0.704 -4.876 10.716 120 H ARG 16 H ARG 16 -1.635 0.171 6.034 121 HA ARG 16 HA ARG 16 -1.114 0.081 3.135 122 HB2 ARG 16 HB2 ARG 16 -2.788 2.009 3.021 123 HB3 ARG 16 HB3 ARG 16 -3.439 0.398 3.291 124 HG2 ARG 16 HG2 ARG 16 -4.022 0.847 5.468 125 HG3 ARG 16 HG3 ARG 16 -2.826 2.135 5.633 126 HD2 ARG 16 HD2 ARG 16 -4.300 3.280 3.776 127 HD3 ARG 16 HD3 ARG 16 -5.541 2.201 4.411 128 HE ARG 16 HE ARG 16 -4.456 4.532 5.687 129 HH11 ARG 16 HH11 ARG 16 -6.007 1.457 6.201 130 HH12 ARG 16 HH12 ARG 16 -6.676 1.904 7.735 131 HH21 ARG 16 HH21 ARG 16 -5.331 5.132 7.706 132 HH22 ARG 16 HH22 ARG 16 -6.292 3.995 8.590 133 H ARG 17 H ARG 17 0.879 0.621 5.017 134 HA ARG 17 HA ARG 17 1.660 3.273 4.164 135 HB2 ARG 17 HB2 ARG 17 0.846 2.661 6.943 136 HB3 ARG 17 HB3 ARG 17 2.340 3.571 6.762 137 HG2 ARG 17 HG2 ARG 17 -0.320 4.352 5.585 138 HG3 ARG 17 HG3 ARG 17 0.383 5.017 7.061 139 HD2 ARG 17 HD2 ARG 17 2.405 5.596 5.572 140 HD3 ARG 17 HD3 ARG 17 1.299 5.334 4.225 141 HE ARG 17 HE ARG 17 1.362 7.584 5.987 142 HH11 ARG 17 HH11 ARG 17 -0.706 5.623 3.987 143 HH12 ARG 17 HH12 ARG 17 -1.869 6.881 3.729 144 HH21 ARG 17 HH21 ARG 17 -0.162 9.249 5.655 145 HH22 ARG 17 HH22 ARG 17 -1.558 8.944 4.677 146 H VAL 18 H VAL 18 3.913 3.769 5.285 147 HA VAL 18 HA VAL 18 5.622 1.580 4.537 148 HB VAL 18 HB VAL 18 6.239 3.889 3.986 149 HG11 VAL 18 HG11 VAL 18 5.339 4.578 6.422 150 HG12 VAL 18 HG12 VAL 18 7.073 4.520 6.746 151 HG13 VAL 18 HG13 VAL 18 6.447 5.574 5.478 152 HG21 VAL 18 HG21 VAL 18 8.497 3.531 5.653 153 HG22 VAL 18 HG22 VAL 18 7.908 1.930 5.208 154 HG23 VAL 18 HG23 VAL 18 8.315 3.101 3.953 155 H ARG 19 H ARG 19 4.576 3.101 7.519 156 HA ARG 19 HA ARG 19 5.913 0.950 9.011 157 HB2 ARG 19 HB2 ARG 19 5.905 3.895 9.666 158 HB3 ARG 19 HB3 ARG 19 6.286 2.656 10.854 159 HG2 ARG 19 HG2 ARG 19 8.125 1.886 9.369 160 HG3 ARG 19 HG3 ARG 19 7.789 3.265 8.321 161 HD2 ARG 19 HD2 ARG 19 8.112 4.714 10.384 162 HD3 ARG 19 HD3 ARG 19 8.772 3.276 11.162 163 HE ARG 19 HE ARG 19 10.132 3.584 8.770 164 HH11 ARG 19 HH11 ARG 19 9.688 5.366 11.727 165 HH12 ARG 19 HH12 ARG 19 11.240 6.131 11.652 166 HH21 ARG 19 HH21 ARG 19 12.179 4.585 8.660 167 HH22 ARG 19 HH22 ARG 19 12.656 5.687 9.907 168 H GLU 20 H GLU 20 3.446 0.447 8.402 169 HA GLU 20 HA GLU 20 1.620 1.543 10.385 170 HB2 GLU 20 HB2 GLU 20 1.154 0.893 7.853 171 HB3 GLU 20 HB3 GLU 20 0.837 -0.684 8.564 172 HG2 GLU 20 HG2 GLU 20 -1.248 0.332 8.488 173 HG3 GLU 20 HG3 GLU 20 -0.730 0.549 10.159 174 H SER 21 H SER 21 0.521 0.287 11.927 175 HA SER 21 HA SER 21 1.038 -2.479 12.326 176 HB2 SER 21 HB2 SER 21 2.672 -0.481 13.846 177 HB3 SER 21 HB3 SER 21 2.174 -1.973 14.644 178 HG SER 21 HG SER 21 4.243 -1.712 13.158 179 HA PRO 22 HA PRO 22 -2.695 -0.589 14.378 180 HB2 PRO 22 HB2 PRO 22 -4.490 -2.241 13.189 181 HB3 PRO 22 HB3 PRO 22 -3.947 -0.727 12.457 182 HG2 PRO 22 HG2 PRO 22 -3.040 -3.527 11.911 183 HG3 PRO 22 HG3 PRO 22 -3.386 -2.219 10.764 184 HD2 PRO 22 HD2 PRO 22 -0.867 -2.875 11.510 185 HD3 PRO 22 HD3 PRO 22 -1.339 -1.214 11.101 186 H LEU 23 H LEU 23 -4.527 -1.947 15.476 187 HA LEU 23 HA LEU 23 -3.198 -4.141 16.905 188 HB2 LEU 23 HB2 LEU 23 -5.466 -2.312 17.648 189 HB3 LEU 23 HB3 LEU 23 -5.060 -3.752 18.581 190 HG LEU 23 HG LEU 23 -4.099 -1.891 19.697 191 HD11 LEU 23 HD11 LEU 23 -1.879 -3.170 18.113 192 HD12 LEU 23 HD12 LEU 23 -2.701 -3.937 19.472 193 HD13 LEU 23 HD13 LEU 23 -1.774 -2.458 19.724 194 HD21 LEU 23 HD21 LEU 23 -3.958 -0.744 17.179 195 HD22 LEU 23 HD22 LEU 23 -2.272 -0.955 17.653 196 HD23 LEU 23 HD23 LEU 23 -3.373 -0.044 18.688 197 H SER 24 H SER 24 -6.126 -3.280 15.158 198 HA SER 24 HA SER 24 -7.229 -5.953 15.516 199 HB2 SER 24 HB2 SER 24 -8.360 -3.606 13.974 200 HB3 SER 24 HB3 SER 24 -9.214 -5.089 14.402 201 HG SER 24 HG SER 24 -9.780 -3.904 16.064 202 H SER 25 H SER 25 -4.853 -6.049 14.164 203 HA SER 25 HA SER 25 -5.340 -6.072 11.315 204 HB2 SER 25 HB2 SER 25 -3.122 -5.466 12.390 205 HB3 SER 25 HB3 SER 25 -2.928 -7.178 12.762 206 HG SER 25 HG SER 25 -1.992 -7.050 10.836 207 H ASP 26 H ASP 26 -4.807 -8.456 13.881 208 HA ASP 26 HA ASP 26 -4.939 -10.730 12.193 209 HB2 ASP 26 HB2 ASP 26 -5.072 -10.258 15.140 210 HB3 ASP 26 HB3 ASP 26 -5.580 -11.825 14.515 211 H ALA 27 H ALA 27 -7.336 -8.730 13.700 212 HA ALA 27 HA ALA 27 -9.503 -10.557 13.614 213 HB1 ALA 27 HB1 ALA 27 -9.854 -7.589 13.413 214 HB2 ALA 27 HB2 ALA 27 -10.859 -8.778 14.242 215 HB3 ALA 27 HB3 ALA 27 -9.286 -8.336 14.907 216 H ILE 28 H ILE 28 -7.984 -8.548 11.237 217 HA ILE 28 HA ILE 28 -10.007 -8.169 9.386 218 HB ILE 28 HB ILE 28 -7.104 -8.769 8.801 219 HG12 ILE 28 HG12 ILE 28 -7.343 -6.868 10.304 220 HG13 ILE 28 HG13 ILE 28 -6.875 -6.305 8.704 221 HG21 ILE 28 HG21 ILE 28 -9.206 -7.431 7.103 222 HG22 ILE 28 HG22 ILE 28 -7.498 -7.582 6.695 223 HG23 ILE 28 HG23 ILE 28 -8.504 -9.025 6.827 224 HD11 ILE 28 HD11 ILE 28 -8.577 -4.901 8.770 225 HD12 ILE 28 HD12 ILE 28 -9.674 -6.282 8.743 226 HD13 ILE 28 HD13 ILE 28 -9.150 -5.601 10.283 227 H PHE 29 H PHE 29 -8.116 -11.041 10.069 228 HA PHE 29 HA PHE 29 -9.224 -12.473 7.799 229 HB2 PHE 29 HB2 PHE 29 -6.831 -12.721 8.764 230 HB3 PHE 29 HB3 PHE 29 -7.595 -13.725 9.992 231 HD1 PHE 29 HD1 PHE 29 -6.292 -13.589 6.668 232 HD2 PHE 29 HD2 PHE 29 -8.914 -15.749 9.233 233 HE1 PHE 29 HE1 PHE 29 -6.183 -15.520 5.148 234 HE2 PHE 29 HE2 PHE 29 -8.808 -17.683 7.717 235 HZ PHE 29 HZ PHE 29 -7.441 -17.571 5.672 236 H LYS 30 H LYS 30 -9.776 -12.107 11.201 237 HA LYS 30 HA LYS 30 -11.213 -14.470 11.706 238 HB2 LYS 30 HB2 LYS 30 -10.986 -11.800 13.001 239 HB3 LYS 30 HB3 LYS 30 -12.352 -12.808 13.459 240 HG2 LYS 30 HG2 LYS 30 -9.703 -14.111 13.450 241 HG3 LYS 30 HG3 LYS 30 -9.984 -12.889 14.693 242 HD2 LYS 30 HD2 LYS 30 -10.797 -14.706 15.799 243 HD3 LYS 30 HD3 LYS 30 -12.266 -14.235 14.942 244 HE2 LYS 30 HE2 LYS 30 -11.928 -16.613 14.712 245 HE3 LYS 30 HE3 LYS 30 -11.690 -15.834 13.149 246 HZ1 LYS 30 HZ1 LYS 30 -9.581 -16.501 13.072 247 HZ2 LYS 30 HZ2 LYS 30 -9.968 -17.563 14.330 248 HZ3 LYS 30 HZ3 LYS 30 -9.271 -16.061 14.676 249 H GLN 31 H GLN 31 -12.105 -11.479 10.167 250 HA GLN 31 HA GLN 31 -14.865 -11.526 10.392 251 HB2 GLN 31 HB2 GLN 31 -13.743 -9.637 9.408 252 HB3 GLN 31 HB3 GLN 31 -13.130 -10.627 8.090 253 HG2 GLN 31 HG2 GLN 31 -15.014 -9.193 7.428 254 HG3 GLN 31 HG3 GLN 31 -15.341 -10.910 7.201 255 HE21 GLN 31 HE21 GLN 31 -17.340 -11.412 7.695 256 HE22 GLN 31 HE22 GLN 31 -18.280 -10.733 8.975 257 H SER 32 H SER 32 -12.756 -13.485 8.429 258 HA SER 32 HA SER 32 -14.614 -14.442 6.559 259 HB2 SER 32 HB2 SER 32 -12.248 -14.812 6.227 260 HB3 SER 32 HB3 SER 32 -12.144 -15.754 7.714 261 HG SER 32 HG SER 32 -12.299 -16.994 5.716 262 H HIS 33 H HIS 33 -13.609 -15.785 9.695 263 HA HIS 33 HA HIS 33 -15.986 -17.522 9.622 264 HB2 HIS 33 HB2 HIS 33 -13.434 -17.891 11.205 265 HB3 HIS 33 HB3 HIS 33 -14.807 -18.994 11.189 266 HD1 HIS 33 HD1 HIS 33 -11.625 -19.107 10.029 267 HD2 HIS 33 HD2 HIS 33 -15.257 -19.415 8.035 268 HE1 HIS 33 HE1 HIS 33 -11.116 -20.324 7.888 Start of MODEL 20 1 H1 ASN 1 H ASN 1 3.248 -6.096 2.035 2 HA ASN 1 HA ASN 1 1.155 -4.235 2.872 3 HB2 ASN 1 HB2 ASN 1 2.692 -2.552 3.609 4 HB3 ASN 1 HB3 ASN 1 3.102 -4.039 4.459 5 HD21 ASN 1 HD21 ASN 1 4.406 -1.465 3.018 6 HD22 ASN 1 HD22 ASN 1 5.907 -2.131 2.479 7 H VAL 2 H VAL 2 0.579 -2.811 1.320 8 HA VAL 2 HA VAL 2 0.378 -1.926 -0.771 9 HB VAL 2 HB VAL 2 3.397 -1.865 -0.668 10 HG11 VAL 2 HG11 VAL 2 3.357 -0.785 -2.611 11 HG12 VAL 2 HG12 VAL 2 1.653 -1.221 -2.748 12 HG13 VAL 2 HG13 VAL 2 2.114 0.325 -2.035 13 HG21 VAL 2 HG21 VAL 2 2.972 -0.602 1.160 14 HG22 VAL 2 HG22 VAL 2 2.654 0.640 -0.051 15 HG23 VAL 2 HG23 VAL 2 1.315 -0.253 0.670 16 H ASP 3 H ASP 3 -0.400 -4.048 -1.492 17 HA ASP 3 HA ASP 3 1.507 -5.428 -3.259 18 HB2 ASP 3 HB2 ASP 3 0.158 -6.631 -1.351 19 HB3 ASP 3 HB3 ASP 3 -1.153 -6.590 -2.526 20 H VAL 4 H VAL 4 0.516 -6.357 -5.268 21 HA VAL 4 HA VAL 4 -1.562 -4.578 -6.361 22 HB VAL 4 HB VAL 4 0.713 -5.604 -8.038 23 HG11 VAL 4 HG11 VAL 4 -0.458 -3.047 -8.724 24 HG12 VAL 4 HG12 VAL 4 -0.280 -4.505 -9.702 25 HG13 VAL 4 HG13 VAL 4 -1.674 -4.321 -8.636 26 HG21 VAL 4 HG21 VAL 4 0.597 -2.981 -6.551 27 HG22 VAL 4 HG22 VAL 4 1.717 -4.308 -6.240 28 HG23 VAL 4 HG23 VAL 4 1.803 -3.420 -7.761 29 H ARG 5 H ARG 5 -1.093 -7.566 -5.407 30 HA ARG 5 HA ARG 5 -2.518 -8.768 -7.691 31 HB2 ARG 5 HB2 ARG 5 -0.133 -9.605 -7.005 32 HB3 ARG 5 HB3 ARG 5 -0.997 -10.418 -5.707 33 HG2 ARG 5 HG2 ARG 5 -0.810 -12.007 -7.412 34 HG3 ARG 5 HG3 ARG 5 -2.470 -11.417 -7.518 35 HD2 ARG 5 HD2 ARG 5 -1.759 -11.436 -9.734 36 HD3 ARG 5 HD3 ARG 5 -1.545 -9.755 -9.248 37 HE ARG 5 HE ARG 5 0.712 -10.000 -9.531 38 HH11 ARG 5 HH11 ARG 5 -0.766 -13.149 -9.390 39 HH12 ARG 5 HH12 ARG 5 0.683 -13.992 -9.824 40 HH21 ARG 5 HH21 ARG 5 2.627 -11.099 -10.103 41 HH22 ARG 5 HH22 ARG 5 2.613 -12.826 -10.228 42 H TYR 6 H TYR 6 -4.603 -8.947 -7.213 43 HA TYR 6 HA TYR 6 -5.343 -9.848 -4.506 44 HB2 TYR 6 HB2 TYR 6 -7.446 -8.562 -4.771 45 HB3 TYR 6 HB3 TYR 6 -6.017 -7.534 -4.786 46 HD1 TYR 6 HD1 TYR 6 -5.426 -6.264 -6.727 47 HD2 TYR 6 HD2 TYR 6 -8.689 -8.992 -6.863 48 HE1 TYR 6 HE1 TYR 6 -6.144 -5.289 -8.868 49 HE2 TYR 6 HE2 TYR 6 -9.415 -8.025 -9.005 50 HH TYR 6 HH TYR 6 -9.039 -5.559 -10.132 51 H THR 7 H THR 7 -7.119 -11.261 -4.334 52 HA THR 7 HA THR 7 -8.060 -12.454 -6.851 53 HB THR 7 HB THR 7 -7.874 -14.461 -4.791 54 HG1 THR 7 HG1 THR 7 -6.070 -13.271 -4.063 55 HG21 THR 7 HG21 THR 7 -8.056 -15.255 -6.958 56 HG22 THR 7 HG22 THR 7 -6.328 -15.441 -6.654 57 HG23 THR 7 HG23 THR 7 -6.916 -14.072 -7.597 58 H TYR 8 H TYR 8 -9.221 -10.595 -4.807 59 HA TYR 8 HA TYR 8 -11.832 -11.651 -4.760 60 HB2 TYR 8 HB2 TYR 8 -12.150 -12.054 -2.393 61 HB3 TYR 8 HB3 TYR 8 -10.848 -13.082 -2.982 62 HD1 TYR 8 HD1 TYR 8 -11.821 -10.844 -0.449 63 HD2 TYR 8 HD2 TYR 8 -8.428 -12.082 -2.698 64 HE1 TYR 8 HE1 TYR 8 -10.343 -9.967 1.310 65 HE2 TYR 8 HE2 TYR 8 -6.940 -11.210 -0.944 66 HH TYR 8 HH TYR 8 -6.897 -10.538 1.268 67 H ARG 9 H ARG 9 -12.999 -10.326 -2.694 68 HA ARG 9 HA ARG 9 -12.310 -7.523 -3.273 69 HB2 ARG 9 HB2 ARG 9 -14.909 -8.927 -2.802 70 HB3 ARG 9 HB3 ARG 9 -14.769 -7.223 -2.389 71 HG2 ARG 9 HG2 ARG 9 -13.865 -6.953 -4.793 72 HG3 ARG 9 HG3 ARG 9 -14.599 -8.534 -5.069 73 HD2 ARG 9 HD2 ARG 9 -16.115 -6.232 -3.868 74 HD3 ARG 9 HD3 ARG 9 -16.021 -6.499 -5.608 75 HE ARG 9 HE ARG 9 -16.863 -8.855 -4.285 76 HH11 ARG 9 HH11 ARG 9 -17.977 -5.702 -5.252 77 HH12 ARG 9 HH12 ARG 9 -19.638 -6.181 -5.369 78 HH21 ARG 9 HH21 ARG 9 -19.046 -9.498 -4.435 79 HH22 ARG 9 HH22 ARG 9 -20.245 -8.340 -4.903 80 HA PRO 10 HA PRO 10 -11.255 -8.045 1.174 81 HB2 PRO 10 HB2 PRO 10 -9.175 -6.303 1.101 82 HB3 PRO 10 HB3 PRO 10 -9.018 -8.005 0.653 83 HG2 PRO 10 HG2 PRO 10 -9.337 -5.605 -1.108 84 HG3 PRO 10 HG3 PRO 10 -8.260 -7.000 -1.302 85 HD2 PRO 10 HD2 PRO 10 -10.590 -6.759 -2.660 86 HD3 PRO 10 HD3 PRO 10 -9.933 -8.331 -2.163 87 H SER 11 H SER 11 -12.447 -6.927 2.572 88 HA SER 11 HA SER 11 -13.602 -4.408 1.949 89 HB2 SER 11 HB2 SER 11 -14.716 -6.045 3.416 90 HB3 SER 11 HB3 SER 11 -13.439 -5.836 4.615 91 HG SER 11 HG SER 11 -15.447 -4.565 4.890 92 H VAL 12 H VAL 12 -11.036 -5.406 4.192 93 HA VAL 12 HA VAL 12 -9.882 -2.738 4.017 94 HB VAL 12 HB VAL 12 -10.549 -3.996 6.682 95 HG11 VAL 12 HG11 VAL 12 -9.261 -1.338 6.076 96 HG12 VAL 12 HG12 VAL 12 -9.603 -2.006 7.673 97 HG13 VAL 12 HG13 VAL 12 -8.402 -2.773 6.633 98 HG21 VAL 12 HG21 VAL 12 -11.766 -1.729 5.141 99 HG22 VAL 12 HG22 VAL 12 -12.564 -3.105 5.903 100 HG23 VAL 12 HG23 VAL 12 -11.889 -1.815 6.898 101 HA PRO 13 HA PRO 13 -6.234 -5.234 3.849 102 HB2 PRO 13 HB2 PRO 13 -4.424 -3.219 4.038 103 HB3 PRO 13 HB3 PRO 13 -5.340 -3.553 2.563 104 HG2 PRO 13 HG2 PRO 13 -5.838 -1.493 4.677 105 HG3 PRO 13 HG3 PRO 13 -5.932 -1.331 2.914 106 HD2 PRO 13 HD2 PRO 13 -8.127 -1.652 4.466 107 HD3 PRO 13 HD3 PRO 13 -8.026 -2.288 2.811 108 H ALA 14 H ALA 14 -4.283 -5.662 5.133 109 HA ALA 14 HA ALA 14 -4.867 -5.463 7.970 110 HB1 ALA 14 HB1 ALA 14 -2.807 -6.995 6.402 111 HB2 ALA 14 HB2 ALA 14 -2.849 -6.969 8.166 112 HB3 ALA 14 HB3 ALA 14 -4.214 -7.622 7.261 113 H HIS 15 H HIS 15 -2.432 -4.359 5.673 114 HA HIS 15 HA HIS 15 -1.745 -2.099 7.205 115 HB2 HIS 15 HB2 HIS 15 0.622 -2.757 7.740 116 HB3 HIS 15 HB3 HIS 15 -0.603 -3.579 8.702 117 HD1 HIS 15 HD1 HIS 15 -1.094 -6.109 8.028 118 HD2 HIS 15 HD2 HIS 15 2.276 -4.403 6.298 119 HE1 HIS 15 HE1 HIS 15 0.262 -8.038 7.154 120 H ARG 16 H ARG 16 -1.286 -0.674 5.675 121 HA ARG 16 HA ARG 16 0.316 -1.555 3.364 122 HB2 ARG 16 HB2 ARG 16 -2.072 0.288 3.431 123 HB3 ARG 16 HB3 ARG 16 -0.965 0.211 2.066 124 HG2 ARG 16 HG2 ARG 16 -1.476 -2.288 2.014 125 HG3 ARG 16 HG3 ARG 16 -2.825 -1.906 3.086 126 HD2 ARG 16 HD2 ARG 16 -2.370 -0.563 0.429 127 HD3 ARG 16 HD3 ARG 16 -3.386 -1.989 0.639 128 HE ARG 16 HE ARG 16 -4.330 -0.169 2.455 129 HH11 ARG 16 HH11 ARG 16 -3.854 -0.230 -0.993 130 HH12 ARG 16 HH12 ARG 16 -5.170 0.847 -1.325 131 HH21 ARG 16 HH21 ARG 16 -6.066 1.249 2.031 132 HH22 ARG 16 HH22 ARG 16 -6.427 1.688 0.396 133 H ARG 17 H ARG 17 1.485 -0.517 5.656 134 HA ARG 17 HA ARG 17 2.677 1.909 4.574 135 HB2 ARG 17 HB2 ARG 17 1.071 1.781 7.070 136 HB3 ARG 17 HB3 ARG 17 2.558 2.718 7.126 137 HG2 ARG 17 HG2 ARG 17 1.792 4.283 5.630 138 HG3 ARG 17 HG3 ARG 17 0.639 3.168 4.893 139 HD2 ARG 17 HD2 ARG 17 -0.817 4.437 6.095 140 HD3 ARG 17 HD3 ARG 17 -0.409 3.245 7.328 141 HE ARG 17 HE ARG 17 0.584 4.906 8.538 142 HH11 ARG 17 HH11 ARG 17 0.252 5.966 5.239 143 HH12 ARG 17 HH12 ARG 17 0.792 7.580 5.566 144 HH21 ARG 17 HH21 ARG 17 1.296 7.027 8.981 145 HH22 ARG 17 HH22 ARG 17 1.387 8.182 7.695 146 H VAL 18 H VAL 18 4.508 2.619 6.214 147 HA VAL 18 HA VAL 18 6.181 0.268 6.538 148 HB VAL 18 HB VAL 18 7.063 2.347 5.487 149 HG11 VAL 18 HG11 VAL 18 7.183 4.349 6.536 150 HG12 VAL 18 HG12 VAL 18 5.811 3.699 7.436 151 HG13 VAL 18 HG13 VAL 18 7.434 3.626 8.124 152 HG21 VAL 18 HG21 VAL 18 9.196 2.055 6.319 153 HG22 VAL 18 HG22 VAL 18 8.638 1.875 7.983 154 HG23 VAL 18 HG23 VAL 18 8.409 0.561 6.829 155 H ARG 19 H ARG 19 4.380 2.488 8.496 156 HA ARG 19 HA ARG 19 5.344 1.092 10.900 157 HB2 ARG 19 HB2 ARG 19 5.046 4.029 10.412 158 HB3 ARG 19 HB3 ARG 19 4.771 3.397 12.030 159 HG2 ARG 19 HG2 ARG 19 6.965 2.823 12.331 160 HG3 ARG 19 HG3 ARG 19 7.264 2.626 10.603 161 HD2 ARG 19 HD2 ARG 19 8.398 4.603 11.508 162 HD3 ARG 19 HD3 ARG 19 7.193 5.034 10.294 163 HE ARG 19 HE ARG 19 5.907 5.195 12.724 164 HH11 ARG 19 HH11 ARG 19 8.663 6.691 11.212 165 HH12 ARG 19 HH12 ARG 19 8.492 8.183 12.077 166 HH21 ARG 19 HH21 ARG 19 5.671 7.154 13.869 167 HH22 ARG 19 HH22 ARG 19 6.791 8.445 13.588 168 H GLU 20 H GLU 20 3.284 -0.067 9.939 169 HA GLU 20 HA GLU 20 1.037 0.864 11.570 170 HB2 GLU 20 HB2 GLU 20 0.867 1.481 9.041 171 HB3 GLU 20 HB3 GLU 20 0.504 -0.226 8.827 172 HG2 GLU 20 HG2 GLU 20 -1.582 0.768 8.988 173 HG3 GLU 20 HG3 GLU 20 -1.300 0.126 10.606 174 H SER 21 H SER 21 -0.186 -0.746 12.476 175 HA SER 21 HA SER 21 -0.114 -3.457 11.626 176 HB2 SER 21 HB2 SER 21 1.116 -4.433 13.487 177 HB3 SER 21 HB3 SER 21 2.153 -3.288 12.635 178 HG SER 21 HG SER 21 1.963 -1.870 14.280 179 HA PRO 22 HA PRO 22 -3.657 -2.111 14.311 180 HB2 PRO 22 HB2 PRO 22 -5.582 -2.940 12.585 181 HB3 PRO 22 HB3 PRO 22 -4.836 -1.340 12.496 182 HG2 PRO 22 HG2 PRO 22 -4.240 -3.800 10.898 183 HG3 PRO 22 HG3 PRO 22 -4.383 -2.119 10.352 184 HD2 PRO 22 HD2 PRO 22 -1.991 -3.318 10.766 185 HD3 PRO 22 HD3 PRO 22 -2.249 -1.583 11.038 186 H LEU 23 H LEU 23 -4.762 -3.429 15.682 187 HA LEU 23 HA LEU 23 -4.345 -6.312 15.352 188 HB2 LEU 23 HB2 LEU 23 -4.875 -4.545 17.709 189 HB3 LEU 23 HB3 LEU 23 -5.180 -6.278 17.804 190 HG LEU 23 HG LEU 23 -3.027 -5.774 18.764 191 HD11 LEU 23 HD11 LEU 23 -3.497 -7.730 16.977 192 HD12 LEU 23 HD12 LEU 23 -1.978 -7.545 17.852 193 HD13 LEU 23 HD13 LEU 23 -2.128 -6.928 16.207 194 HD21 LEU 23 HD21 LEU 23 -1.727 -4.946 16.280 195 HD22 LEU 23 HD22 LEU 23 -1.541 -4.328 17.921 196 HD23 LEU 23 HD23 LEU 23 -2.877 -3.768 16.914 197 H SER 24 H SER 24 -6.902 -4.178 16.640 198 HA SER 24 HA SER 24 -8.978 -5.994 16.619 199 HB2 SER 24 HB2 SER 24 -10.491 -4.050 16.524 200 HB3 SER 24 HB3 SER 24 -9.154 -3.770 17.640 201 HG SER 24 HG SER 24 -8.191 -2.450 16.143 202 H SER 25 H SER 25 -7.568 -4.232 13.960 203 HA SER 25 HA SER 25 -9.546 -4.383 12.041 204 HB2 SER 25 HB2 SER 25 -7.766 -4.278 10.378 205 HB3 SER 25 HB3 SER 25 -7.372 -3.227 11.738 206 HG SER 25 HG SER 25 -6.055 -4.970 12.534 207 H ASP 26 H ASP 26 -7.063 -6.819 12.788 208 HA ASP 26 HA ASP 26 -8.275 -8.730 10.982 209 HB2 ASP 26 HB2 ASP 26 -5.755 -8.457 11.478 210 HB3 ASP 26 HB3 ASP 26 -6.092 -9.351 12.958 211 H ALA 27 H ALA 27 -8.334 -7.965 14.360 212 HA ALA 27 HA ALA 27 -9.111 -10.378 15.489 213 HB1 ALA 27 HB1 ALA 27 -10.257 -7.740 16.354 214 HB2 ALA 27 HB2 ALA 27 -9.866 -9.149 17.341 215 HB3 ALA 27 HB3 ALA 27 -8.572 -8.173 16.646 216 H ILE 28 H ILE 28 -10.891 -8.199 13.463 217 HA ILE 28 HA ILE 28 -13.516 -8.771 14.087 218 HB ILE 28 HB ILE 28 -12.369 -8.385 11.320 219 HG12 ILE 28 HG12 ILE 28 -11.828 -6.554 12.887 220 HG13 ILE 28 HG13 ILE 28 -12.937 -6.031 11.624 221 HG21 ILE 28 HG21 ILE 28 -15.190 -8.049 12.328 222 HG22 ILE 28 HG22 ILE 28 -14.622 -7.655 10.707 223 HG23 ILE 28 HG23 ILE 28 -14.614 -9.329 11.261 224 HD11 ILE 28 HD11 ILE 28 -14.801 -6.214 13.174 225 HD12 ILE 28 HD12 ILE 28 -13.701 -6.762 14.440 226 HD13 ILE 28 HD13 ILE 28 -13.557 -5.128 13.793 227 H PHE 29 H PHE 29 -11.191 -10.719 12.335 228 HA PHE 29 HA PHE 29 -13.199 -12.687 11.599 229 HB2 PHE 29 HB2 PHE 29 -11.278 -12.059 10.089 230 HB3 PHE 29 HB3 PHE 29 -10.205 -12.862 11.231 231 HD1 PHE 29 HD1 PHE 29 -12.550 -13.284 8.526 232 HD2 PHE 29 HD2 PHE 29 -10.422 -15.310 11.606 233 HE1 PHE 29 HE1 PHE 29 -12.964 -15.431 7.396 234 HE2 PHE 29 HE2 PHE 29 -10.832 -17.459 10.481 235 HZ PHE 29 HZ PHE 29 -12.104 -17.521 8.373 236 H LYS 30 H LYS 30 -10.803 -12.154 14.042 237 HA LYS 30 HA LYS 30 -10.462 -14.814 14.922 238 HB2 LYS 30 HB2 LYS 30 -10.166 -12.178 16.366 239 HB3 LYS 30 HB3 LYS 30 -9.724 -13.726 17.073 240 HG2 LYS 30 HG2 LYS 30 -8.236 -14.013 14.997 241 HG3 LYS 30 HG3 LYS 30 -8.460 -12.276 14.781 242 HD2 LYS 30 HD2 LYS 30 -7.663 -11.977 17.142 243 HD3 LYS 30 HD3 LYS 30 -7.250 -13.694 17.151 244 HE2 LYS 30 HE2 LYS 30 -6.202 -11.763 15.093 245 HE3 LYS 30 HE3 LYS 30 -5.367 -12.091 16.611 246 HZ1 LYS 30 HZ1 LYS 30 -4.510 -13.455 14.812 247 HZ2 LYS 30 HZ2 LYS 30 -6.045 -14.112 14.543 248 HZ3 LYS 30 HZ3 LYS 30 -5.236 -14.422 15.996 249 H GLN 31 H GLN 31 -12.942 -12.438 15.478 250 HA GLN 31 HA GLN 31 -14.090 -13.642 17.781 251 HB2 GLN 31 HB2 GLN 31 -15.298 -11.786 15.724 252 HB3 GLN 31 HB3 GLN 31 -16.064 -12.229 17.244 253 HG2 GLN 31 HG2 GLN 31 -14.083 -11.262 18.424 254 HG3 GLN 31 HG3 GLN 31 -13.530 -10.659 16.862 255 HE21 GLN 31 HE21 GLN 31 -15.026 -9.762 19.582 256 HE22 GLN 31 HE22 GLN 31 -16.022 -8.481 18.988 257 H SER 32 H SER 32 -14.427 -14.151 14.348 258 HA SER 32 HA SER 32 -16.835 -15.675 14.488 259 HB2 SER 32 HB2 SER 32 -14.744 -15.744 12.303 260 HB3 SER 32 HB3 SER 32 -16.444 -16.192 12.167 261 HG SER 32 HG SER 32 -17.023 -14.092 12.287 262 H HIS 33 H HIS 33 -13.408 -16.554 14.102 263 HA HIS 33 HA HIS 33 -13.754 -19.327 14.048 264 HB2 HIS 33 HB2 HIS 33 -11.636 -17.809 13.644 265 HB3 HIS 33 HB3 HIS 33 -11.334 -18.141 15.347 266 HD1 HIS 33 HD1 HIS 33 -11.952 -20.074 12.132 267 HD2 HIS 33 HD2 HIS 33 -10.020 -20.471 15.788 268 HE1 HIS 33 HE1 HIS 33 -10.704 -22.253 12.000
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