NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
600856 | 2n5k | 25719 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 299 HN SER 299 6.675 12.289 -1.100 2 HA SER 299 HA SER 299 6.493 12.988 -3.875 3 HB2 SER 299 1HB SER 299 9.055 12.296 -3.685 4 HB3 SER 299 2HB SER 299 8.455 13.817 -3.002 5 HG SER 299 HG SER 299 8.710 13.062 -1.028 6 H GLU 300 HN GLU 300 6.881 10.040 -2.039 7 HA GLU 300 HA GLU 300 7.173 8.514 -4.535 8 HB2 GLU 300 3HB GLU 300 7.789 6.613 -2.997 9 HB3 GLU 300 2HB GLU 300 8.922 7.973 -3.017 10 HG2 GLU 300 3HG GLU 300 6.768 7.919 -0.954 11 HG3 GLU 300 2HG GLU 300 8.181 6.872 -0.764 12 HE2 GLU 300 HE GLU 300 8.710 10.293 0.617 13 H HIS 301 HN HIS 301 4.740 9.267 -4.556 14 HA HIS 301 HA HIS 301 2.901 7.844 -2.927 15 HB2 HIS 301 3HB HIS 301 2.595 9.283 -5.567 16 HB3 HIS 301 2HB HIS 301 1.237 8.549 -4.707 17 HD1 HIS 301 1HD HIS 301 0.762 11.371 -5.004 18 HD2 HIS 301 2HD HIS 301 3.210 9.982 -1.947 19 HE1 HIS 301 1HE HIS 301 0.800 13.207 -3.286 20 HE2 HIS 301 2HE HIS 301 2.296 12.359 -1.417 21 H ARG 302 HN ARG 302 4.313 7.258 -6.103 22 HA ARG 302 HA ARG 302 3.015 4.612 -6.121 23 HB2 ARG 302 3HB ARG 302 3.478 4.708 -8.632 24 HB3 ARG 302 2HB ARG 302 2.195 5.754 -8.007 25 HG2 ARG 302 3HG ARG 302 3.599 7.688 -8.121 26 HG3 ARG 302 2HG ARG 302 5.007 6.690 -8.521 27 HD2 ARG 302 3HD ARG 302 4.042 6.068 -10.647 28 HD3 ARG 302 2HD ARG 302 2.535 6.897 -10.234 29 HE ARG 302 HE ARG 302 4.724 8.695 -10.132 30 HH11 ARG 302 2HH1 ARG 302 2.649 7.000 -12.355 31 HH12 ARG 302 1HH1 ARG 302 2.821 8.176 -13.616 32 HH21 ARG 302 2HH2 ARG 302 4.959 10.250 -11.784 33 HH22 ARG 302 1HH2 ARG 302 4.136 10.024 -13.290 34 H LYS 303 HN LYS 303 5.986 6.381 -6.309 35 HA LYS 303 HA LYS 303 7.723 4.553 -7.435 36 HB2 LYS 303 3HB LYS 303 8.285 6.350 -5.064 37 HB3 LYS 303 2HB LYS 303 9.493 5.638 -6.145 38 HG2 LYS 303 3HG LYS 303 7.390 7.663 -6.917 39 HG3 LYS 303 2HG LYS 303 9.120 7.972 -6.687 40 HD2 LYS 303 3HD LYS 303 9.501 6.181 -8.490 41 HD3 LYS 303 2HD LYS 303 7.776 6.377 -8.849 42 HE2 LYS 303 3HE LYS 303 9.567 8.784 -8.701 43 HE3 LYS 303 2HE LYS 303 9.529 7.781 -10.159 44 HZ1 LYS 303 3HZ LYS 303 6.952 8.103 -9.846 45 HZ2 LYS 303 1HZ LYS 303 7.892 9.255 -10.653 46 HZ3 LYS 303 2HZ LYS 303 7.448 9.505 -9.041 47 H GLN 304 HN GLN 304 7.260 4.970 -3.920 48 HA GLN 304 HA GLN 304 8.271 2.274 -3.486 49 HB2 GLN 304 3HB GLN 304 7.789 4.673 -1.775 50 HB3 GLN 304 2HB GLN 304 7.788 3.079 -1.006 51 HG2 GLN 304 3HG GLN 304 10.055 3.678 -2.816 52 HG3 GLN 304 2HG GLN 304 9.986 4.563 -1.285 53 HE21 GLN 304 1HE2 GLN 304 9.582 3.169 0.667 54 HE22 GLN 304 2HE2 GLN 304 10.426 1.663 0.738 55 HA PRO 305 HA PRO 305 4.417 0.309 -2.769 56 HB2 PRO 305 3HB PRO 305 4.974 -1.333 -0.649 57 HB3 PRO 305 2HB PRO 305 5.590 -1.604 -2.278 58 HG2 PRO 305 3HG PRO 305 6.925 -0.292 0.067 59 HG3 PRO 305 2HG PRO 305 7.584 -1.515 -1.084 60 HD2 PRO 305 3HD PRO 305 8.161 1.132 -1.269 61 HD3 PRO 305 2HD PRO 305 8.011 0.084 -2.689 62 H CYS 306 HN CYS 306 3.013 -0.459 -0.705 63 HA CYS 306 HA CYS 306 1.840 1.799 0.361 64 HB2 CYS 306 3HB CYS 306 1.618 -1.062 0.712 65 HB3 CYS 306 2HB CYS 306 1.418 -0.236 2.258 66 HA PRO 307 HA PRO 307 4.276 3.200 3.729 67 HB2 PRO 307 3HB PRO 307 2.372 3.927 5.560 68 HB3 PRO 307 2HB PRO 307 2.686 4.823 4.074 69 HG2 PRO 307 3HG PRO 307 0.578 2.768 4.645 70 HG3 PRO 307 2HG PRO 307 0.422 4.359 3.813 71 HD2 PRO 307 3HD PRO 307 0.545 2.007 2.464 72 HD3 PRO 307 2HD PRO 307 1.232 3.512 1.829 73 H TYR 308 HN TYR 308 1.802 0.804 4.487 74 HA TYR 308 HA TYR 308 3.509 -0.175 6.682 75 HB2 TYR 308 3HB TYR 308 0.498 -0.170 6.412 76 HB3 TYR 308 2HB TYR 308 1.350 -1.155 7.603 77 HD1 TYR 308 2HD TYR 308 3.045 0.143 9.144 78 HD2 TYR 308 1HD TYR 308 -0.175 1.966 7.044 79 HE1 TYR 308 2HE TYR 308 3.102 2.037 10.713 80 HE2 TYR 308 1HE TYR 308 -0.127 3.866 8.606 81 HH TYR 308 HH TYR 308 0.775 4.706 10.456 82 H GLY 309 HN GLY 309 1.242 -1.117 4.120 83 HA2 GLY 309 2HA GLY 309 1.230 -2.975 2.760 84 HA3 GLY 309 3HA GLY 309 2.825 -3.368 3.384 85 H LYS 310 HN LYS 310 3.041 -4.834 5.037 86 HA LYS 310 HA LYS 310 0.937 -6.717 5.351 87 HB2 LYS 310 3HB LYS 310 2.478 -7.765 7.035 88 HB3 LYS 310 2HB LYS 310 3.186 -7.518 5.431 89 HG2 LYS 310 3HG LYS 310 4.464 -5.659 6.167 90 HG3 LYS 310 2HG LYS 310 3.588 -5.597 7.708 91 HD2 LYS 310 3HD LYS 310 4.493 -7.843 8.273 92 HD3 LYS 310 2HD LYS 310 5.449 -7.786 6.781 93 HE2 LYS 310 3HE LYS 310 6.394 -5.572 7.676 94 HE3 LYS 310 2HE LYS 310 5.694 -6.058 9.226 95 HZ1 LYS 310 3HZ LYS 310 7.138 -7.817 9.435 96 HZ2 LYS 310 1HZ LYS 310 8.127 -6.676 8.672 97 HZ3 LYS 310 2HZ LYS 310 7.436 -7.932 7.774 98 H LYS 311 HN LYS 311 2.142 -4.057 7.291 99 HA LYS 311 HA LYS 311 0.495 -4.742 9.567 100 HB2 LYS 311 3HB LYS 311 2.258 -2.366 8.943 101 HB3 LYS 311 2HB LYS 311 1.331 -2.526 10.443 102 HG2 LYS 311 3HG LYS 311 2.587 -4.390 11.159 103 HG3 LYS 311 2HG LYS 311 3.313 -4.599 9.555 104 HD2 LYS 311 3HD LYS 311 5.032 -3.577 10.721 105 HD3 LYS 311 2HD LYS 311 4.236 -2.196 9.946 106 HE2 LYS 311 3HE LYS 311 3.448 -3.091 12.711 107 HE3 LYS 311 2HE LYS 311 4.835 -2.025 12.446 108 HZ1 LYS 311 3HZ LYS 311 2.011 -1.449 12.248 109 HZ2 LYS 311 1HZ LYS 311 2.942 -0.813 10.986 110 HZ3 LYS 311 2HZ LYS 311 3.306 -0.415 12.590 111 H CYS 312 HN CYS 312 0.169 -2.953 6.672 112 HA CYS 312 HA CYS 312 -1.579 -0.920 7.320 113 HB2 CYS 312 3HB CYS 312 -0.545 -1.668 5.032 114 HB3 CYS 312 2HB CYS 312 -2.055 -2.568 4.861 115 H THR 313 HN THR 313 -3.765 -0.730 7.628 116 HA THR 313 HA THR 313 -5.130 -3.140 8.496 117 HB THR 313 HB THR 313 -6.885 -1.624 9.313 118 HG1 THR 313 1HG THR 313 -7.015 0.319 8.505 119 HG21 THR 313 3HG2 THR 313 -4.036 -1.299 10.063 120 HG22 THR 313 1HG2 THR 313 -5.406 -1.847 11.029 121 HG23 THR 313 2HG2 THR 313 -5.174 -0.125 10.724 122 H TYR 314 HN TYR 314 -5.299 -0.785 5.911 123 HA TYR 314 HA TYR 314 -7.849 -1.381 4.920 124 HB2 TYR 314 3HB TYR 314 -5.475 -0.607 3.218 125 HB3 TYR 314 2HB TYR 314 -7.181 -0.272 2.912 126 HD1 TYR 314 2HD TYR 314 -8.158 0.803 5.421 127 HD2 TYR 314 1HD TYR 314 -4.425 1.455 3.486 128 HE1 TYR 314 2HE TYR 314 -7.962 2.981 6.546 129 HE2 TYR 314 1HE TYR 314 -4.219 3.635 4.607 130 HH TYR 314 HH TYR 314 -6.523 5.301 5.827 131 H GLY 315 HN GLY 315 -4.690 -2.576 3.755 132 HA2 GLY 315 2HA GLY 315 -4.113 -4.626 2.873 133 HA3 GLY 315 3HA GLY 315 -5.680 -5.231 3.391 134 H ILE 316 HN ILE 316 -7.542 -4.731 2.018 135 HA ILE 316 HA ILE 316 -6.763 -4.829 -0.802 136 HB ILE 316 HB ILE 316 -9.462 -5.408 0.422 137 HG12 ILE 316 1HG1 ILE 316 -7.345 -7.358 -0.518 138 HG13 ILE 316 2HG1 ILE 316 -7.644 -6.952 1.181 139 HG21 ILE 316 1HG2 ILE 316 -9.205 -6.765 -1.980 140 HG22 ILE 316 2HG2 ILE 316 -10.151 -5.306 -1.692 141 HG23 ILE 316 3HG2 ILE 316 -8.501 -5.180 -2.299 142 HD11 ILE 316 3HD1 ILE 316 -10.135 -7.672 0.158 143 HD12 ILE 316 1HD1 ILE 316 -8.995 -8.849 -0.493 144 HD13 ILE 316 2HD1 ILE 316 -9.110 -8.603 1.250 145 H LYS 317 HN LYS 317 -8.282 -2.783 1.503 146 HA LYS 317 HA LYS 317 -9.430 -1.089 -0.598 147 HB2 LYS 317 3HB LYS 317 -10.587 0.085 1.211 148 HB3 LYS 317 2HB LYS 317 -10.907 -1.656 1.273 149 HG2 LYS 317 3HG LYS 317 -9.027 -1.783 2.995 150 HG3 LYS 317 2HG LYS 317 -9.159 -0.018 3.078 151 HD2 LYS 317 3HD LYS 317 -10.564 -0.704 4.796 152 HD3 LYS 317 2HD LYS 317 -11.685 -0.457 3.445 153 HE2 LYS 317 3HE LYS 317 -11.695 -2.842 2.959 154 HE3 LYS 317 2HE LYS 317 -10.493 -3.115 4.228 155 HZ1 LYS 317 3HZ LYS 317 -12.103 -3.254 5.721 156 HZ2 LYS 317 1HZ LYS 317 -13.255 -3.095 4.491 157 HZ3 LYS 317 2HZ LYS 317 -12.694 -1.724 5.307 158 H CYS 318 HN CYS 318 -6.560 -1.292 -0.165 159 HA CYS 318 HA CYS 318 -5.842 1.257 1.056 160 HB2 CYS 318 3HB CYS 318 -4.492 -0.782 1.506 161 HB3 CYS 318 2HB CYS 318 -4.065 -0.842 -0.205 162 H ARG 319 HN ARG 319 -4.923 2.970 -0.040 163 HA ARG 319 HA ARG 319 -5.619 3.159 -2.838 164 HB2 ARG 319 3HB ARG 319 -5.735 4.966 -0.884 165 HB3 ARG 319 2HB ARG 319 -4.099 5.319 -1.463 166 HG2 ARG 319 3HG ARG 319 -5.612 6.798 -2.569 167 HG3 ARG 319 2HG ARG 319 -5.030 5.611 -3.748 168 HD2 ARG 319 3HD ARG 319 -7.065 4.414 -3.730 169 HD3 ARG 319 2HD ARG 319 -7.602 5.219 -2.249 170 HE ARG 319 HE ARG 319 -7.314 7.236 -4.079 171 HH11 ARG 319 2HH1 ARG 319 -9.128 4.270 -3.905 172 HH12 ARG 319 1HH1 ARG 319 -10.433 4.858 -4.882 173 HH21 ARG 319 2HH2 ARG 319 -9.026 8.022 -5.367 174 HH22 ARG 319 1HH2 ARG 319 -10.373 6.991 -5.714 175 H PHE 320 HN PHE 320 -2.737 2.818 -0.894 176 HA PHE 320 HA PHE 320 -0.928 3.391 -3.059 177 HB2 PHE 320 3HB PHE 320 -0.710 2.660 -0.196 178 HB3 PHE 320 2HB PHE 320 0.625 2.136 -1.224 179 HD1 PHE 320 2HD PHE 320 -1.446 5.219 -0.820 180 HD2 PHE 320 1HD PHE 320 2.432 3.531 -1.295 181 HE1 PHE 320 2HE PHE 320 -0.458 7.470 -0.717 182 HE2 PHE 320 1HE PHE 320 3.427 5.779 -1.192 183 HZ PHE 320 HZ PHE 320 1.982 7.753 -0.904 184 H PHE 321 HN PHE 321 0.869 1.676 -3.450 185 HA PHE 321 HA PHE 321 -0.492 -0.715 -4.395 186 HB2 PHE 321 3HB PHE 321 1.169 0.762 -5.744 187 HB3 PHE 321 2HB PHE 321 2.416 -0.104 -4.845 188 HD1 PHE 321 1HD PHE 321 -0.366 -0.535 -7.228 189 HD2 PHE 321 2HD PHE 321 3.026 -2.321 -5.378 190 HE1 PHE 321 1HE PHE 321 -0.480 -2.400 -8.828 191 HE2 PHE 321 2HE PHE 321 2.918 -4.189 -6.976 192 HZ PHE 321 HZ PHE 321 1.164 -4.229 -8.705 193 H HIS 322 HN HIS 322 -0.408 -2.608 -3.389 194 HA HIS 322 HA HIS 322 1.391 -2.924 -1.115 195 HB2 HIS 322 3HB HIS 322 -1.118 -4.263 -2.044 196 HB3 HIS 322 2HB HIS 322 -0.031 -5.152 -0.973 197 HD1 HIS 322 1HD HIS 322 0.026 -4.501 1.477 198 HD2 HIS 322 2HD HIS 322 -2.289 -1.943 -0.838 199 HE1 HIS 322 1HE HIS 322 -1.212 -3.048 3.114 200 HE2 HIS 322 2HE HIS 322 -2.626 -1.483 1.700 201 HA PRO 323 HA PRO 323 4.204 -5.669 -3.064 202 HB2 PRO 323 3HB PRO 323 4.805 -7.389 -1.019 203 HB3 PRO 323 2HB PRO 323 5.359 -5.717 -1.078 204 HG2 PRO 323 3HG PRO 323 3.009 -6.891 0.368 205 HG3 PRO 323 2HG PRO 323 4.241 -5.716 0.961 206 HD2 PRO 323 3HD PRO 323 1.757 -4.959 0.167 207 HD3 PRO 323 2HD PRO 323 3.189 -3.943 -0.070 208 H GLU 324 HN GLU 324 1.518 -7.163 -1.320 209 HA GLU 324 HA GLU 324 1.699 -9.501 -3.093 210 HB2 GLU 324 3HB GLU 324 0.142 -9.189 -0.515 211 HB3 GLU 324 2HB GLU 324 0.324 -10.675 -1.460 212 HG2 GLU 324 3HG GLU 324 2.583 -10.914 -0.893 213 HG3 GLU 324 2HG GLU 324 2.698 -9.242 -0.329 214 HE2 GLU 324 HE GLU 324 1.476 -11.999 2.184 215 H ARG 325 HN ARG 325 -0.284 -6.808 -2.170 216 HA ARG 325 HA ARG 325 -2.390 -7.738 -4.009 217 HB2 ARG 325 3HB ARG 325 -2.479 -6.161 -1.466 218 HB3 ARG 325 2HB ARG 325 -3.718 -5.877 -2.698 219 HG2 ARG 325 3HG ARG 325 -3.243 -8.709 -2.057 220 HG3 ARG 325 2HG ARG 325 -3.906 -7.730 -0.739 221 HD2 ARG 325 3HD ARG 325 -5.872 -8.309 -1.730 222 HD3 ARG 325 2HD ARG 325 -5.494 -6.876 -2.697 223 HE ARG 325 HE ARG 325 -5.307 -8.233 -4.514 224 HH11 ARG 325 2HH1 ARG 325 -4.816 -10.154 -1.652 225 HH12 ARG 325 1HH1 ARG 325 -4.700 -11.650 -2.518 226 HH21 ARG 325 2HH2 ARG 325 -5.156 -10.197 -5.666 227 HH22 ARG 325 1HH2 ARG 325 -4.893 -11.673 -4.801 228 HA PRO 326 HA PRO 326 -1.707 -4.321 -6.673 229 HB2 PRO 326 3HB PRO 326 -4.253 -3.647 -7.426 230 HB3 PRO 326 2HB PRO 326 -3.433 -5.110 -7.968 231 HG2 PRO 326 3HG PRO 326 -5.398 -4.749 -5.732 232 HG3 PRO 326 2HG PRO 326 -5.336 -6.030 -6.999 233 HD2 PRO 326 3HD PRO 326 -4.460 -6.434 -4.462 234 HD3 PRO 326 2HD PRO 326 -3.708 -7.206 -5.869 235 H SER 327 HN SER 327 -4.440 -3.677 -4.471 236 HA SER 327 HA SER 327 -3.236 -1.367 -3.356 237 HB2 SER 327 1HB SER 327 -4.079 -0.712 -5.778 238 HB3 SER 327 2HB SER 327 -5.647 -0.614 -4.959 239 HG SER 327 HG SER 327 -3.489 1.063 -4.800 Start of MODEL 2 1 H1 SER 299 HN SER 299 9.111 12.790 -1.417 2 HA SER 299 HA SER 299 7.701 12.597 -3.365 3 HB2 SER 299 1HB SER 299 10.648 12.485 -4.072 4 HB3 SER 299 2HB SER 299 9.364 12.895 -5.224 5 HG SER 299 HG SER 299 8.791 14.620 -3.742 6 H GLU 300 HN GLU 300 7.731 10.002 -2.279 7 HA GLU 300 HA GLU 300 7.932 8.401 -4.740 8 HB2 GLU 300 3HB GLU 300 8.405 6.433 -3.180 9 HB3 GLU 300 2HB GLU 300 9.718 7.590 -3.445 10 HG2 GLU 300 3HG GLU 300 7.887 7.921 -1.102 11 HG3 GLU 300 2HG GLU 300 9.206 6.742 -1.050 12 HE2 GLU 300 HE GLU 300 10.206 10.226 -0.055 13 H HIS 301 HN HIS 301 5.611 9.628 -4.242 14 HA HIS 301 HA HIS 301 3.848 8.038 -2.624 15 HB2 HIS 301 3HB HIS 301 3.421 10.414 -2.875 16 HB3 HIS 301 2HB HIS 301 3.289 10.233 -4.627 17 HD1 HIS 301 1HD HIS 301 1.333 9.923 -1.515 18 HD2 HIS 301 2HD HIS 301 0.918 8.900 -5.519 19 HE1 HIS 301 1HE HIS 301 -1.105 9.391 -1.824 20 HE2 HIS 301 2HE HIS 301 -1.360 8.766 -4.271 21 H ARG 302 HN ARG 302 4.867 8.084 -5.937 22 HA ARG 302 HA ARG 302 2.976 5.899 -6.515 23 HB2 ARG 302 3HB ARG 302 2.915 6.619 -8.845 24 HB3 ARG 302 2HB ARG 302 2.381 7.921 -7.771 25 HG2 ARG 302 3HG ARG 302 4.165 9.250 -8.233 26 HG3 ARG 302 2HG ARG 302 5.246 7.874 -8.513 27 HD2 ARG 302 3HD ARG 302 4.716 9.192 -10.572 28 HD3 ARG 302 2HD ARG 302 4.307 7.474 -10.672 29 HE ARG 302 HE ARG 302 2.061 8.937 -9.793 30 HH11 ARG 302 2HH1 ARG 302 3.987 8.360 -12.635 31 HH12 ARG 302 1HH1 ARG 302 2.686 8.665 -13.737 32 HH21 ARG 302 2HH2 ARG 302 0.339 9.341 -11.234 33 HH22 ARG 302 1HH2 ARG 302 0.611 9.224 -12.939 34 H LYS 303 HN LYS 303 5.758 5.880 -5.478 35 HA LYS 303 HA LYS 303 6.960 4.257 -7.623 36 HB2 LYS 303 3HB LYS 303 8.544 5.816 -5.577 37 HB3 LYS 303 2HB LYS 303 9.140 5.021 -7.044 38 HG2 LYS 303 3HG LYS 303 7.270 7.391 -7.028 39 HG3 LYS 303 2HG LYS 303 9.030 7.486 -7.221 40 HD2 LYS 303 3HD LYS 303 8.862 6.030 -9.225 41 HD3 LYS 303 2HD LYS 303 7.098 6.065 -9.053 42 HE2 LYS 303 3HE LYS 303 7.008 8.414 -9.464 43 HE3 LYS 303 2HE LYS 303 8.767 8.555 -9.335 44 HZ1 LYS 303 3HZ LYS 303 7.153 7.741 -11.582 45 HZ2 LYS 303 1HZ LYS 303 8.496 6.750 -11.309 46 HZ3 LYS 303 2HZ LYS 303 8.705 8.412 -11.550 47 H GLN 304 HN GLN 304 7.208 4.879 -4.116 48 HA GLN 304 HA GLN 304 8.095 2.193 -3.600 49 HB2 GLN 304 3HB GLN 304 7.529 4.622 -1.949 50 HB3 GLN 304 2HB GLN 304 7.609 3.044 -1.149 51 HG2 GLN 304 3HG GLN 304 9.807 4.078 -2.929 52 HG3 GLN 304 2HG GLN 304 9.739 4.393 -1.189 53 HE21 GLN 304 1HE2 GLN 304 9.666 2.510 0.236 54 HE22 GLN 304 2HE2 GLN 304 10.513 1.080 -0.233 55 HA PRO 305 HA PRO 305 4.281 0.166 -2.842 56 HB2 PRO 305 3HB PRO 305 4.871 -1.411 -0.683 57 HB3 PRO 305 2HB PRO 305 5.494 -1.709 -2.304 58 HG2 PRO 305 3HG PRO 305 6.799 -0.314 0.008 59 HG3 PRO 305 2HG PRO 305 7.485 -1.550 -1.113 60 HD2 PRO 305 3HD PRO 305 8.004 1.103 -1.361 61 HD3 PRO 305 2HD PRO 305 7.879 0.018 -2.757 62 H CYS 306 HN CYS 306 2.913 -0.595 -0.734 63 HA CYS 306 HA CYS 306 1.673 1.657 0.264 64 HB2 CYS 306 3HB CYS 306 1.551 -1.196 0.713 65 HB3 CYS 306 2HB CYS 306 1.331 -0.325 2.232 66 HA PRO 307 HA PRO 307 4.079 3.251 3.566 67 HB2 PRO 307 3HB PRO 307 2.164 3.965 5.391 68 HB3 PRO 307 2HB PRO 307 2.433 4.825 3.876 69 HG2 PRO 307 3HG PRO 307 0.408 2.712 4.530 70 HG3 PRO 307 2HG PRO 307 0.186 4.270 3.651 71 HD2 PRO 307 3HD PRO 307 0.385 1.883 2.375 72 HD3 PRO 307 2HD PRO 307 1.010 3.391 1.686 73 H TYR 308 HN TYR 308 1.706 0.787 4.418 74 HA TYR 308 HA TYR 308 3.462 -0.056 6.630 75 HB2 TYR 308 3HB TYR 308 0.451 -0.216 6.380 76 HB3 TYR 308 2HB TYR 308 1.369 -1.072 7.621 77 HD1 TYR 308 2HD TYR 308 2.885 0.345 9.162 78 HD2 TYR 308 1HD TYR 308 -0.247 1.983 6.793 79 HE1 TYR 308 2HE TYR 308 2.832 2.330 10.614 80 HE2 TYR 308 1HE TYR 308 -0.307 3.972 8.237 81 HH TYR 308 HH TYR 308 2.086 4.812 10.310 82 H GLY 309 HN GLY 309 1.223 -1.164 4.110 83 HA2 GLY 309 2HA GLY 309 1.273 -3.063 2.811 84 HA3 GLY 309 3HA GLY 309 2.889 -3.372 3.432 85 H LYS 310 HN LYS 310 3.176 -4.768 5.137 86 HA LYS 310 HA LYS 310 1.152 -6.726 5.525 87 HB2 LYS 310 3HB LYS 310 2.749 -7.661 7.223 88 HB3 LYS 310 2HB LYS 310 3.432 -7.434 5.605 89 HG2 LYS 310 3HG LYS 310 4.638 -5.501 6.274 90 HG3 LYS 310 2HG LYS 310 3.778 -5.434 7.823 91 HD2 LYS 310 3HD LYS 310 4.906 -7.296 8.683 92 HD3 LYS 310 2HD LYS 310 5.415 -7.834 7.074 93 HE2 LYS 310 3HE LYS 310 6.767 -5.658 6.954 94 HE3 LYS 310 2HE LYS 310 6.472 -5.535 8.694 95 HZ1 LYS 310 3HZ LYS 310 8.153 -7.420 7.229 96 HZ2 LYS 310 1HZ LYS 310 7.363 -8.003 8.608 97 HZ3 LYS 310 2HZ LYS 310 8.411 -6.680 8.729 98 H LYS 311 HN LYS 311 2.271 -3.964 7.372 99 HA LYS 311 HA LYS 311 0.681 -4.641 9.689 100 HB2 LYS 311 3HB LYS 311 2.314 -2.201 8.962 101 HB3 LYS 311 2HB LYS 311 1.427 -2.370 10.486 102 HG2 LYS 311 3HG LYS 311 2.824 -4.050 11.278 103 HG3 LYS 311 2HG LYS 311 3.425 -4.435 9.656 104 HD2 LYS 311 3HD LYS 311 4.773 -2.500 9.565 105 HD3 LYS 311 2HD LYS 311 3.942 -1.771 10.951 106 HE2 LYS 311 3HE LYS 311 4.840 -3.589 12.397 107 HE3 LYS 311 2HE LYS 311 5.751 -4.185 11.002 108 HZ1 LYS 311 3HZ LYS 311 6.413 -1.554 11.104 109 HZ2 LYS 311 1HZ LYS 311 7.352 -2.829 11.702 110 HZ3 LYS 311 2HZ LYS 311 6.323 -1.977 12.739 111 H CYS 312 HN CYS 312 0.259 -2.926 6.750 112 HA CYS 312 HA CYS 312 -1.593 -0.979 7.373 113 HB2 CYS 312 3HB CYS 312 -0.520 -1.739 5.089 114 HB3 CYS 312 2HB CYS 312 -2.013 -2.665 4.935 115 H THR 313 HN THR 313 -3.906 -0.929 7.244 116 HA THR 313 HA THR 313 -5.121 -3.424 8.212 117 HB THR 313 HB THR 313 -6.988 -1.888 8.988 118 HG1 THR 313 1HG THR 313 -6.751 0.038 8.076 119 HG21 THR 313 3HG2 THR 313 -5.452 -2.748 10.604 120 HG22 THR 313 1HG2 THR 313 -5.655 -1.029 10.937 121 HG23 THR 313 2HG2 THR 313 -4.204 -1.603 10.114 122 H TYR 314 HN TYR 314 -5.426 -0.877 5.816 123 HA TYR 314 HA TYR 314 -7.949 -1.487 4.797 124 HB2 TYR 314 3HB TYR 314 -5.599 -0.549 3.141 125 HB3 TYR 314 2HB TYR 314 -7.314 -0.258 2.841 126 HD1 TYR 314 1HD TYR 314 -8.374 0.671 5.350 127 HD2 TYR 314 2HD TYR 314 -4.596 1.501 3.576 128 HE1 TYR 314 1HE TYR 314 -8.260 2.788 6.596 129 HE2 TYR 314 2HE TYR 314 -4.473 3.620 4.818 130 HH TYR 314 HH TYR 314 -6.610 4.382 7.374 131 H GLY 315 HN GLY 315 -4.778 -2.542 3.534 132 HA2 GLY 315 2HA GLY 315 -4.170 -4.531 2.540 133 HA3 GLY 315 3HA GLY 315 -5.732 -5.187 3.007 134 H ILE 316 HN ILE 316 -7.602 -4.553 1.666 135 HA ILE 316 HA ILE 316 -6.811 -4.518 -1.152 136 HB ILE 316 HB ILE 316 -9.527 -5.105 0.030 137 HG12 ILE 316 1HG1 ILE 316 -7.449 -7.045 -1.012 138 HG13 ILE 316 2HG1 ILE 316 -7.741 -6.726 0.706 139 HG21 ILE 316 1HG2 ILE 316 -8.563 -4.730 -2.667 140 HG22 ILE 316 2HG2 ILE 316 -9.268 -6.331 -2.449 141 HG23 ILE 316 3HG2 ILE 316 -10.216 -4.892 -2.074 142 HD11 ILE 316 3HD1 ILE 316 -9.120 -8.474 0.587 143 HD12 ILE 316 1HD1 ILE 316 -10.245 -7.333 -0.150 144 HD13 ILE 316 2HD1 ILE 316 -9.252 -8.377 -1.169 145 H LYS 317 HN LYS 317 -8.450 -2.628 1.247 146 HA LYS 317 HA LYS 317 -9.470 -0.771 -0.774 147 HB2 LYS 317 3HB LYS 317 -10.699 0.282 1.046 148 HB3 LYS 317 2HB LYS 317 -11.006 -1.462 1.018 149 HG2 LYS 317 3HG LYS 317 -9.218 -1.682 2.800 150 HG3 LYS 317 2HG LYS 317 -9.294 0.084 2.941 151 HD2 LYS 317 3HD LYS 317 -10.806 -0.513 4.563 152 HD3 LYS 317 2HD LYS 317 -11.880 -0.368 3.159 153 HE2 LYS 317 3HE LYS 317 -10.599 -2.983 3.958 154 HE3 LYS 317 2HE LYS 317 -12.159 -2.443 4.597 155 HZ1 LYS 317 3HZ LYS 317 -12.906 -3.579 2.813 156 HZ2 LYS 317 1HZ LYS 317 -11.477 -3.386 1.929 157 HZ3 LYS 317 2HZ LYS 317 -12.598 -2.122 2.011 158 H CYS 318 HN CYS 318 -6.591 -1.117 -0.023 159 HA CYS 318 HA CYS 318 -5.881 1.313 1.358 160 HB2 CYS 318 3HB CYS 318 -4.573 -0.845 1.475 161 HB3 CYS 318 2HB CYS 318 -4.058 -0.538 -0.185 162 H ARG 319 HN ARG 319 -4.698 3.057 0.455 163 HA ARG 319 HA ARG 319 -5.404 3.573 -2.334 164 HB2 ARG 319 3HB ARG 319 -4.658 5.298 0.006 165 HB3 ARG 319 2HB ARG 319 -4.507 5.928 -1.642 166 HG2 ARG 319 3HG ARG 319 -6.947 5.218 -1.957 167 HG3 ARG 319 2HG ARG 319 -6.986 5.078 -0.191 168 HD2 ARG 319 3HD ARG 319 -6.221 7.431 -0.010 169 HD3 ARG 319 2HD ARG 319 -6.293 7.549 -1.775 170 HE ARG 319 HE ARG 319 -8.509 7.610 0.057 171 HH11 ARG 319 2HH1 ARG 319 -7.508 6.961 -3.214 172 HH12 ARG 319 1HH1 ARG 319 -9.078 7.246 -3.889 173 HH21 ARG 319 2HH2 ARG 319 -10.581 7.987 -0.820 174 HH22 ARG 319 1HH2 ARG 319 -10.825 7.829 -2.527 175 H PHE 320 HN PHE 320 -3.184 1.797 -1.542 176 HA PHE 320 HA PHE 320 -1.128 3.059 -3.178 177 HB2 PHE 320 3HB PHE 320 -0.861 2.418 -0.301 178 HB3 PHE 320 2HB PHE 320 0.472 1.881 -1.325 179 HD1 PHE 320 2HD PHE 320 -1.469 4.866 -0.328 180 HD2 PHE 320 1HD PHE 320 2.084 3.377 -2.138 181 HE1 PHE 320 2HE PHE 320 -0.514 7.133 -0.309 182 HE2 PHE 320 1HE PHE 320 3.044 5.643 -2.123 183 HZ PHE 320 HZ PHE 320 1.745 7.524 -1.209 184 H PHE 321 HN PHE 321 0.741 1.362 -3.478 185 HA PHE 321 HA PHE 321 -0.570 -1.081 -4.378 186 HB2 PHE 321 3HB PHE 321 1.008 0.384 -5.804 187 HB3 PHE 321 2HB PHE 321 2.310 -0.358 -4.870 188 HD1 PHE 321 2HD PHE 321 -0.307 -0.968 -7.355 189 HD2 PHE 321 1HD PHE 321 2.909 -2.670 -5.145 190 HE1 PHE 321 2HE PHE 321 -0.311 -2.917 -8.856 191 HE2 PHE 321 1HE PHE 321 2.910 -4.621 -6.644 192 HZ PHE 321 HZ PHE 321 1.298 -4.747 -8.502 193 H HIS 322 HN HIS 322 -0.442 -2.929 -3.300 194 HA HIS 322 HA HIS 322 1.392 -3.139 -1.045 195 HB2 HIS 322 3HB HIS 322 -1.087 -4.574 -1.912 196 HB3 HIS 322 2HB HIS 322 0.033 -5.396 -0.823 197 HD1 HIS 322 1HD HIS 322 0.111 -4.650 1.604 198 HD2 HIS 322 2HD HIS 322 -2.335 -2.271 -0.766 199 HE1 HIS 322 1HE HIS 322 -1.160 -3.187 3.205 200 HE2 HIS 322 2HE HIS 322 -2.656 -1.732 1.758 201 HA PRO 323 HA PRO 323 4.261 -5.860 -2.947 202 HB2 PRO 323 3HB PRO 323 4.935 -7.498 -0.859 203 HB3 PRO 323 2HB PRO 323 5.440 -5.813 -0.976 204 HG2 PRO 323 3HG PRO 323 3.141 -7.008 0.534 205 HG3 PRO 323 2HG PRO 323 4.346 -5.781 1.076 206 HD2 PRO 323 3HD PRO 323 1.832 -5.119 0.292 207 HD3 PRO 323 2HD PRO 323 3.232 -4.071 0.005 208 H GLU 324 HN GLU 324 1.634 -7.369 -1.130 209 HA GLU 324 HA GLU 324 1.863 -9.758 -2.830 210 HB2 GLU 324 3HB GLU 324 0.349 -9.393 -0.233 211 HB3 GLU 324 2HB GLU 324 0.508 -10.902 -1.144 212 HG2 GLU 324 3HG GLU 324 2.800 -11.101 -0.651 213 HG3 GLU 324 2HG GLU 324 2.894 -9.428 -0.084 214 HE2 GLU 324 HE GLU 324 1.659 -10.265 3.053 215 H ARG 325 HN ARG 325 -0.185 -7.093 -1.971 216 HA ARG 325 HA ARG 325 -2.283 -8.138 -3.757 217 HB2 ARG 325 3HB ARG 325 -2.393 -6.461 -1.276 218 HB3 ARG 325 2HB ARG 325 -3.661 -6.289 -2.500 219 HG2 ARG 325 3HG ARG 325 -3.009 -9.050 -1.646 220 HG3 ARG 325 2HG ARG 325 -3.827 -8.009 -0.469 221 HD2 ARG 325 3HD ARG 325 -5.660 -8.879 -1.524 222 HD3 ARG 325 2HD ARG 325 -5.368 -7.463 -2.545 223 HE ARG 325 HE ARG 325 -4.952 -8.882 -4.274 224 HH11 ARG 325 2HH1 ARG 325 -4.415 -10.598 -1.292 225 HH12 ARG 325 1HH1 ARG 325 -4.097 -12.113 -2.069 226 HH21 ARG 325 2HH2 ARG 325 -4.535 -10.871 -5.309 227 HH22 ARG 325 1HH2 ARG 325 -4.164 -12.267 -4.355 228 HA PRO 326 HA PRO 326 -1.708 -4.797 -6.540 229 HB2 PRO 326 3HB PRO 326 -4.276 -4.234 -7.308 230 HB3 PRO 326 2HB PRO 326 -3.409 -5.687 -7.802 231 HG2 PRO 326 3HG PRO 326 -5.381 -5.314 -5.573 232 HG3 PRO 326 2HG PRO 326 -5.279 -6.635 -6.797 233 HD2 PRO 326 3HD PRO 326 -4.385 -6.924 -4.250 234 HD3 PRO 326 2HD PRO 326 -3.610 -7.717 -5.632 235 H SER 327 HN SER 327 -3.044 -2.584 -7.122 236 HA SER 327 HA SER 327 -2.369 -0.752 -5.170 237 HB2 SER 327 1HB SER 327 -3.409 0.894 -6.486 238 HB3 SER 327 2HB SER 327 -2.991 -0.374 -7.652 239 HG SER 327 HG SER 327 -5.245 0.563 -7.627 Start of MODEL 3 1 H1 SER 299 HN SER 299 5.959 12.325 -1.148 2 HA SER 299 HA SER 299 7.053 12.760 -3.632 3 HB2 SER 299 1HB SER 299 8.191 11.888 -1.000 4 HB3 SER 299 2HB SER 299 9.237 11.867 -2.431 5 HG SER 299 HG SER 299 9.343 13.876 -1.357 6 H GLU 300 HN GLU 300 6.270 9.743 -2.117 7 HA GLU 300 HA GLU 300 7.237 8.336 -4.510 8 HB2 GLU 300 3HB GLU 300 7.690 6.370 -2.903 9 HB3 GLU 300 2HB GLU 300 8.865 7.693 -2.967 10 HG2 GLU 300 3HG GLU 300 8.468 7.001 -0.674 11 HG3 GLU 300 2HG GLU 300 7.917 8.661 -0.948 12 HE2 GLU 300 HE GLU 300 5.190 5.885 -0.176 13 H HIS 301 HN HIS 301 4.657 9.222 -4.253 14 HA HIS 301 HA HIS 301 2.793 7.597 -3.028 15 HB2 HIS 301 3HB HIS 301 2.491 9.769 -4.418 16 HB3 HIS 301 2HB HIS 301 2.321 8.675 -5.794 17 HD1 HIS 301 1HD HIS 301 0.082 7.622 -6.161 18 HD2 HIS 301 2HD HIS 301 0.427 9.342 -2.395 19 HE1 HIS 301 1HE HIS 301 -2.219 7.502 -5.153 20 HE2 HIS 301 2HE HIS 301 -2.009 8.552 -2.852 21 H ARG 302 HN ARG 302 4.388 7.154 -6.156 22 HA ARG 302 HA ARG 302 3.261 4.433 -6.261 23 HB2 ARG 302 3HB ARG 302 3.757 4.589 -8.746 24 HB3 ARG 302 2HB ARG 302 2.433 5.599 -8.144 25 HG2 ARG 302 3HG ARG 302 3.638 7.571 -8.375 26 HG3 ARG 302 2HG ARG 302 5.192 6.721 -8.396 27 HD2 ARG 302 3HD ARG 302 5.145 6.522 -10.619 28 HD3 ARG 302 2HD ARG 302 3.524 5.817 -10.561 29 HE ARG 302 HE ARG 302 4.193 8.503 -11.238 30 HH11 ARG 302 2HH1 ARG 302 1.742 6.514 -9.770 31 HH12 ARG 302 1HH1 ARG 302 0.450 7.609 -10.135 32 HH21 ARG 302 2HH2 ARG 302 2.501 9.953 -11.723 33 HH22 ARG 302 1HH2 ARG 302 0.882 9.564 -11.247 34 H LYS 303 HN LYS 303 6.121 6.385 -6.321 35 HA LYS 303 HA LYS 303 7.987 4.645 -7.413 36 HB2 LYS 303 3HB LYS 303 8.177 6.760 -5.278 37 HB3 LYS 303 2HB LYS 303 9.596 5.819 -5.766 38 HG2 LYS 303 3HG LYS 303 9.940 7.244 -7.425 39 HG3 LYS 303 2HG LYS 303 8.401 6.731 -8.140 40 HD2 LYS 303 3HD LYS 303 7.194 8.445 -6.982 41 HD3 LYS 303 2HD LYS 303 8.622 8.860 -6.017 42 HE2 LYS 303 3HE LYS 303 8.820 9.010 -8.996 43 HE3 LYS 303 2HE LYS 303 7.935 10.277 -8.135 44 HZ1 LYS 303 3HZ LYS 303 9.897 10.700 -6.793 45 HZ2 LYS 303 1HZ LYS 303 10.259 10.864 -8.439 46 HZ3 LYS 303 2HZ LYS 303 10.746 9.478 -7.600 47 H GLN 304 HN GLN 304 6.758 4.832 -4.099 48 HA GLN 304 HA GLN 304 8.116 2.281 -3.531 49 HB2 GLN 304 3HB GLN 304 7.562 4.688 -1.846 50 HB3 GLN 304 2HB GLN 304 7.615 3.097 -1.069 51 HG2 GLN 304 3HG GLN 304 9.841 4.160 -2.798 52 HG3 GLN 304 2HG GLN 304 9.762 4.396 -1.048 53 HE21 GLN 304 1HE2 GLN 304 10.037 2.638 0.327 54 HE22 GLN 304 2HE2 GLN 304 10.724 1.147 -0.214 55 HA PRO 305 HA PRO 305 4.273 0.284 -2.842 56 HB2 PRO 305 3HB PRO 305 4.825 -1.337 -0.705 57 HB3 PRO 305 2HB PRO 305 5.460 -1.614 -2.326 58 HG2 PRO 305 3HG PRO 305 6.761 -0.274 0.021 59 HG3 PRO 305 2HG PRO 305 7.442 -1.497 -1.115 60 HD2 PRO 305 3HD PRO 305 7.993 1.154 -1.313 61 HD3 PRO 305 2HD PRO 305 7.867 0.094 -2.727 62 H CYS 306 HN CYS 306 2.901 -0.514 -0.735 63 HA CYS 306 HA CYS 306 1.658 1.732 0.281 64 HB2 CYS 306 3HB CYS 306 1.532 -1.127 0.703 65 HB3 CYS 306 2HB CYS 306 1.302 -0.268 2.227 66 HA PRO 307 HA PRO 307 4.052 3.283 3.614 67 HB2 PRO 307 3HB PRO 307 2.136 3.964 5.446 68 HB3 PRO 307 2HB PRO 307 2.403 4.848 3.944 69 HG2 PRO 307 3HG PRO 307 0.381 2.722 4.564 70 HG3 PRO 307 2HG PRO 307 0.158 4.292 3.707 71 HD2 PRO 307 3HD PRO 307 0.363 1.924 2.397 72 HD3 PRO 307 2HD PRO 307 0.986 3.443 1.731 73 H TYR 308 HN TYR 308 1.689 0.797 4.420 74 HA TYR 308 HA TYR 308 3.441 -0.070 6.626 75 HB2 TYR 308 3HB TYR 308 0.431 -0.224 6.362 76 HB3 TYR 308 2HB TYR 308 1.339 -1.122 7.580 77 HD1 TYR 308 2HD TYR 308 3.170 0.512 8.829 78 HD2 TYR 308 1HD TYR 308 -0.569 1.693 7.178 79 HE1 TYR 308 2HE TYR 308 3.124 2.453 10.339 80 HE2 TYR 308 1HE TYR 308 -0.625 3.639 8.682 81 HH TYR 308 HH TYR 308 1.448 3.972 11.334 82 H GLY 309 HN GLY 309 1.218 -1.152 4.082 83 HA2 GLY 309 2HA GLY 309 1.282 -3.032 2.755 84 HA3 GLY 309 3HA GLY 309 2.897 -3.340 3.375 85 H LYS 310 HN LYS 310 3.175 -4.683 5.157 86 HA LYS 310 HA LYS 310 1.184 -6.700 5.472 87 HB2 LYS 310 3HB LYS 310 2.762 -7.614 7.197 88 HB3 LYS 310 2HB LYS 310 3.479 -7.359 5.598 89 HG2 LYS 310 3HG LYS 310 4.623 -5.400 6.314 90 HG3 LYS 310 2HG LYS 310 3.730 -5.378 7.845 91 HD2 LYS 310 3HD LYS 310 4.885 -7.224 8.701 92 HD3 LYS 310 2HD LYS 310 5.442 -7.725 7.094 93 HE2 LYS 310 3HE LYS 310 6.972 -5.880 6.960 94 HE3 LYS 310 2HE LYS 310 6.302 -5.167 8.436 95 HZ1 LYS 310 3HZ LYS 310 7.023 -7.482 9.417 96 HZ2 LYS 310 1HZ LYS 310 8.118 -6.198 9.290 97 HZ3 LYS 310 2HZ LYS 310 8.125 -7.434 8.135 98 H LYS 311 HN LYS 311 2.214 -3.925 7.352 99 HA LYS 311 HA LYS 311 0.588 -4.639 9.632 100 HB2 LYS 311 3HB LYS 311 2.284 -2.249 8.925 101 HB3 LYS 311 2HB LYS 311 1.247 -2.264 10.361 102 HG2 LYS 311 3HG LYS 311 2.462 -4.018 11.364 103 HG3 LYS 311 2HG LYS 311 3.305 -4.391 9.850 104 HD2 LYS 311 3HD LYS 311 4.383 -2.142 9.952 105 HD3 LYS 311 2HD LYS 311 3.634 -1.913 11.542 106 HE2 LYS 311 3HE LYS 311 4.951 -3.537 12.556 107 HE3 LYS 311 2HE LYS 311 5.285 -4.350 11.020 108 HZ1 LYS 311 3HZ LYS 311 6.438 -2.035 10.530 109 HZ2 LYS 311 1HZ LYS 311 7.253 -3.300 11.303 110 HZ3 LYS 311 2HZ LYS 311 6.597 -2.034 12.214 111 H CYS 312 HN CYS 312 0.211 -2.890 6.698 112 HA CYS 312 HA CYS 312 -1.707 -1.000 7.298 113 HB2 CYS 312 3HB CYS 312 -0.548 -1.681 5.038 114 HB3 CYS 312 2HB CYS 312 -2.003 -2.656 4.820 115 H THR 313 HN THR 313 -3.867 -0.990 7.673 116 HA THR 313 HA THR 313 -5.092 -3.551 8.322 117 HB THR 313 HB THR 313 -7.005 -1.923 9.077 118 HG1 THR 313 1HG THR 313 -6.329 0.149 9.461 119 HG21 THR 313 3HG2 THR 313 -5.211 -1.358 11.090 120 HG22 THR 313 1HG2 THR 313 -4.520 -2.794 10.335 121 HG23 THR 313 2HG2 THR 313 -6.172 -2.830 10.951 122 H TYR 314 HN TYR 314 -5.335 -0.990 5.978 123 HA TYR 314 HA TYR 314 -7.912 -1.480 4.995 124 HB2 TYR 314 3HB TYR 314 -5.563 -0.590 3.314 125 HB3 TYR 314 2HB TYR 314 -7.272 -0.218 3.070 126 HD1 TYR 314 1HD TYR 314 -8.169 0.635 5.708 127 HD2 TYR 314 2HD TYR 314 -4.514 1.459 3.694 128 HE1 TYR 314 1HE TYR 314 -7.932 2.713 7.003 129 HE2 TYR 314 2HE TYR 314 -4.265 3.539 4.983 130 HH TYR 314 HH TYR 314 -5.017 4.637 6.869 131 H GLY 315 HN GLY 315 -4.788 -2.602 3.673 132 HA2 GLY 315 2HA GLY 315 -4.250 -4.584 2.625 133 HA3 GLY 315 3HA GLY 315 -5.818 -5.210 3.111 134 H ILE 316 HN ILE 316 -7.694 -4.542 1.814 135 HA ILE 316 HA ILE 316 -6.955 -4.444 -1.016 136 HB ILE 316 HB ILE 316 -9.676 -5.007 0.159 137 HG12 ILE 316 1HG1 ILE 316 -8.070 -6.663 0.962 138 HG13 ILE 316 2HG1 ILE 316 -9.173 -7.385 -0.221 139 HG21 ILE 316 1HG2 ILE 316 -10.269 -4.729 -1.979 140 HG22 ILE 316 2HG2 ILE 316 -8.600 -4.783 -2.543 141 HG23 ILE 316 3HG2 ILE 316 -9.484 -6.283 -2.260 142 HD11 ILE 316 3HD1 ILE 316 -6.331 -7.297 -0.263 143 HD12 ILE 316 1HD1 ILE 316 -7.436 -8.106 -1.374 144 HD13 ILE 316 2HD1 ILE 316 -6.955 -6.434 -1.668 145 H LYS 317 HN LYS 317 -8.456 -2.569 1.461 146 HA LYS 317 HA LYS 317 -9.542 -0.673 -0.491 147 HB2 LYS 317 3HB LYS 317 -10.673 0.374 1.408 148 HB3 LYS 317 2HB LYS 317 -11.033 -1.359 1.329 149 HG2 LYS 317 3HG LYS 317 -9.168 -1.676 3.035 150 HG3 LYS 317 2HG LYS 317 -9.241 0.081 3.256 151 HD2 LYS 317 3HD LYS 317 -11.847 -0.443 3.491 152 HD3 LYS 317 2HD LYS 317 -11.207 -2.013 4.008 153 HE2 LYS 317 3HE LYS 317 -11.456 -0.705 5.981 154 HE3 LYS 317 2HE LYS 317 -9.726 -0.768 5.617 155 HZ1 LYS 317 3HZ LYS 317 -11.592 1.491 5.221 156 HZ2 LYS 317 1HZ LYS 317 -10.095 1.430 4.437 157 HZ3 LYS 317 2HZ LYS 317 -10.164 1.453 6.126 158 H CYS 318 HN CYS 318 -6.667 -1.003 -0.021 159 HA CYS 318 HA CYS 318 -5.877 1.397 1.413 160 HB2 CYS 318 3HB CYS 318 -4.554 -0.682 1.614 161 HB3 CYS 318 2HB CYS 318 -4.192 -0.602 -0.111 162 H ARG 319 HN ARG 319 -4.786 3.153 0.478 163 HA ARG 319 HA ARG 319 -5.491 3.607 -2.322 164 HB2 ARG 319 3HB ARG 319 -4.786 5.392 -0.012 165 HB3 ARG 319 2HB ARG 319 -4.669 5.994 -1.672 166 HG2 ARG 319 3HG ARG 319 -7.186 4.735 -0.608 167 HG3 ARG 319 2HG ARG 319 -6.828 6.461 -0.423 168 HD2 ARG 319 3HD ARG 319 -6.719 6.767 -2.813 169 HD3 ARG 319 2HD ARG 319 -6.871 5.023 -3.071 170 HE ARG 319 HE ARG 319 -9.132 5.224 -2.837 171 HH11 ARG 319 2HH1 ARG 319 -7.606 8.050 -1.493 172 HH12 ARG 319 1HH1 ARG 319 -9.098 8.887 -1.219 173 HH21 ARG 319 2HH2 ARG 319 -11.104 6.315 -2.480 174 HH22 ARG 319 1HH2 ARG 319 -11.088 7.898 -1.780 175 H PHE 320 HN PHE 320 -3.242 1.891 -1.526 176 HA PHE 320 HA PHE 320 -1.194 3.209 -3.134 177 HB2 PHE 320 3HB PHE 320 -0.938 2.495 -0.270 178 HB3 PHE 320 2HB PHE 320 0.413 2.022 -1.301 179 HD1 PHE 320 2HD PHE 320 -1.643 4.947 -0.320 180 HD2 PHE 320 1HD PHE 320 2.031 3.563 -1.964 181 HE1 PHE 320 2HE PHE 320 -0.745 7.235 -0.228 182 HE2 PHE 320 1HE PHE 320 2.937 5.850 -1.873 183 HZ PHE 320 HZ PHE 320 1.548 7.689 -1.005 184 H PHE 321 HN PHE 321 0.678 1.563 -3.508 185 HA PHE 321 HA PHE 321 -0.591 -0.890 -4.437 186 HB2 PHE 321 3HB PHE 321 1.047 0.710 -5.756 187 HB3 PHE 321 2HB PHE 321 2.286 -0.254 -4.950 188 HD1 PHE 321 1HD PHE 321 -0.455 -0.343 -7.381 189 HD2 PHE 321 2HD PHE 321 2.675 -2.548 -5.522 190 HE1 PHE 321 1HE PHE 321 -0.683 -2.100 -9.089 191 HE2 PHE 321 2HE PHE 321 2.453 -4.308 -7.227 192 HZ PHE 321 HZ PHE 321 0.772 -4.085 -9.014 193 H HIS 322 HN HIS 322 -0.428 -2.749 -3.383 194 HA HIS 322 HA HIS 322 1.421 -2.969 -1.145 195 HB2 HIS 322 3HB HIS 322 -1.018 -4.449 -2.049 196 HB3 HIS 322 2HB HIS 322 0.125 -5.270 -0.981 197 HD1 HIS 322 1HD HIS 322 0.159 -4.606 1.465 198 HD2 HIS 322 2HD HIS 322 -2.302 -2.186 -0.847 199 HE1 HIS 322 1HE HIS 322 -1.144 -3.213 3.104 200 HE2 HIS 322 2HE HIS 322 -2.649 -1.733 1.691 201 HA PRO 323 HA PRO 323 4.365 -5.563 -3.107 202 HB2 PRO 323 3HB PRO 323 5.079 -7.236 -1.058 203 HB3 PRO 323 2HB PRO 323 5.539 -5.536 -1.132 204 HG2 PRO 323 3HG PRO 323 3.270 -6.829 0.343 205 HG3 PRO 323 2HG PRO 323 4.441 -5.585 0.916 206 HD2 PRO 323 3HD PRO 323 1.912 -4.971 0.144 207 HD3 PRO 323 2HD PRO 323 3.283 -3.879 -0.114 208 H GLU 324 HN GLU 324 1.773 -7.186 -1.339 209 HA GLU 324 HA GLU 324 2.072 -9.526 -3.095 210 HB2 GLU 324 3HB GLU 324 0.504 -9.285 -0.516 211 HB3 GLU 324 2HB GLU 324 0.782 -10.766 -1.446 212 HG2 GLU 324 3HG GLU 324 3.084 -10.805 -0.908 213 HG3 GLU 324 2HG GLU 324 3.026 -9.157 -0.268 214 HE2 GLU 324 HE GLU 324 2.622 -10.564 2.828 215 H ARG 325 HN ARG 325 -0.049 -6.938 -2.179 216 HA ARG 325 HA ARG 325 -2.110 -7.994 -4.002 217 HB2 ARG 325 3HB ARG 325 -2.281 -6.381 -1.480 218 HB3 ARG 325 2HB ARG 325 -3.550 -6.226 -2.704 219 HG2 ARG 325 3HG ARG 325 -2.783 -8.971 -1.858 220 HG3 ARG 325 2HG ARG 325 -3.711 -7.973 -0.725 221 HD2 ARG 325 3HD ARG 325 -5.408 -9.024 -1.890 222 HD3 ARG 325 2HD ARG 325 -5.227 -7.514 -2.795 223 HE ARG 325 HE ARG 325 -3.579 -9.575 -3.865 224 HH11 ARG 325 2HH1 ARG 325 -6.854 -8.397 -3.753 225 HH12 ARG 325 1HH1 ARG 325 -7.293 -9.089 -5.279 226 HH21 ARG 325 2HH2 ARG 325 -4.146 -10.491 -5.876 227 HH22 ARG 325 1HH2 ARG 325 -5.753 -10.280 -6.486 228 HA PRO 326 HA PRO 326 -1.612 -4.562 -6.690 229 HB2 PRO 326 3HB PRO 326 -4.189 -4.054 -7.462 230 HB3 PRO 326 2HB PRO 326 -3.276 -5.467 -7.989 231 HG2 PRO 326 3HG PRO 326 -5.275 -5.215 -5.768 232 HG3 PRO 326 2HG PRO 326 -5.124 -6.499 -7.026 233 HD2 PRO 326 3HD PRO 326 -4.242 -6.830 -4.480 234 HD3 PRO 326 2HD PRO 326 -3.431 -7.562 -5.877 235 H SER 327 HN SER 327 -3.001 -2.372 -7.221 236 HA SER 327 HA SER 327 -2.409 -0.588 -5.190 237 HB2 SER 327 1HB SER 327 -3.861 1.031 -6.413 238 HB3 SER 327 2HB SER 327 -2.736 0.164 -7.473 239 HG SER 327 HG SER 327 -5.518 -0.172 -7.196 Start of MODEL 4 1 H1 SER 299 HN SER 299 7.279 13.042 -1.631 2 HA SER 299 HA SER 299 8.068 11.099 -0.479 3 HB2 SER 299 1HB SER 299 6.329 10.626 1.096 4 HB3 SER 299 2HB SER 299 6.138 12.319 0.611 5 HG SER 299 HG SER 299 4.592 11.437 -0.998 6 H GLU 300 HN GLU 300 7.791 10.295 -3.169 7 HA GLU 300 HA GLU 300 7.512 8.452 -4.476 8 HB2 GLU 300 3HB GLU 300 7.730 7.202 -1.737 9 HB3 GLU 300 2HB GLU 300 7.634 6.239 -3.219 10 HG2 GLU 300 3HG GLU 300 9.914 6.361 -2.778 11 HG3 GLU 300 2HG GLU 300 9.644 7.591 -4.022 12 HE2 GLU 300 HE GLU 300 10.690 8.782 -0.392 13 H HIS 301 HN HIS 301 5.255 9.546 -4.621 14 HA HIS 301 HA HIS 301 3.021 8.390 -3.374 15 HB2 HIS 301 3HB HIS 301 3.283 10.563 -4.832 16 HB3 HIS 301 2HB HIS 301 2.843 9.482 -6.158 17 HD1 HIS 301 1HD HIS 301 0.860 7.853 -4.065 18 HD2 HIS 301 2HD HIS 301 0.757 11.847 -5.204 19 HE1 HIS 301 1HE HIS 301 -1.505 8.607 -3.660 20 HE2 HIS 301 2HE HIS 301 -1.569 11.049 -4.355 21 H ARG 302 HN ARG 302 4.637 7.643 -6.436 22 HA ARG 302 HA ARG 302 3.241 5.056 -6.445 23 HB2 ARG 302 3HB ARG 302 3.145 5.192 -8.940 24 HB3 ARG 302 2HB ARG 302 2.111 6.363 -8.107 25 HG2 ARG 302 3HG ARG 302 3.015 7.936 -9.385 26 HG3 ARG 302 2HG ARG 302 4.508 7.708 -8.460 27 HD2 ARG 302 3HD ARG 302 5.300 7.386 -10.594 28 HD3 ARG 302 2HD ARG 302 4.882 5.728 -10.141 29 HE ARG 302 HE ARG 302 3.313 5.733 -11.793 30 HH11 ARG 302 2HH1 ARG 302 4.039 9.031 -10.946 31 HH12 ARG 302 1HH1 ARG 302 3.051 9.707 -12.199 32 HH21 ARG 302 2HH2 ARG 302 2.009 6.611 -13.445 33 HH22 ARG 302 1HH2 ARG 302 1.896 8.329 -13.619 34 H LYS 303 HN LYS 303 5.936 5.930 -5.589 35 HA LYS 303 HA LYS 303 7.584 4.429 -7.512 36 HB2 LYS 303 3HB LYS 303 8.607 6.217 -5.304 37 HB3 LYS 303 2HB LYS 303 9.490 5.607 -6.712 38 HG2 LYS 303 3HG LYS 303 7.649 6.954 -8.039 39 HG3 LYS 303 2HG LYS 303 7.557 7.854 -6.515 40 HD2 LYS 303 3HD LYS 303 10.136 7.983 -6.681 41 HD3 LYS 303 2HD LYS 303 9.886 7.544 -8.380 42 HE2 LYS 303 3HE LYS 303 8.434 9.851 -7.082 43 HE3 LYS 303 2HE LYS 303 10.023 10.027 -7.843 44 HZ1 LYS 303 3HZ LYS 303 8.985 9.045 -9.889 45 HZ2 LYS 303 1HZ LYS 303 8.432 10.587 -9.466 46 HZ3 LYS 303 2HZ LYS 303 7.482 9.227 -9.137 47 H GLN 304 HN GLN 304 6.625 4.686 -4.149 48 HA GLN 304 HA GLN 304 8.036 2.158 -3.603 49 HB2 GLN 304 3HB GLN 304 7.589 4.604 -1.955 50 HB3 GLN 304 2HB GLN 304 7.623 3.038 -1.130 51 HG2 GLN 304 3HG GLN 304 9.813 4.224 -2.834 52 HG3 GLN 304 2HG GLN 304 9.810 4.042 -1.074 53 HE21 GLN 304 1HE2 GLN 304 10.196 2.051 -0.164 54 HE22 GLN 304 2HE2 GLN 304 10.778 0.702 -1.071 55 HA PRO 305 HA PRO 305 4.249 0.152 -2.674 56 HB2 PRO 305 3HB PRO 305 4.913 -1.406 -0.522 57 HB3 PRO 305 2HB PRO 305 5.473 -1.723 -2.164 58 HG2 PRO 305 3HG PRO 305 6.870 -0.311 0.084 59 HG3 PRO 305 2HG PRO 305 7.508 -1.560 -1.049 60 HD2 PRO 305 3HD PRO 305 8.028 1.089 -1.342 61 HD3 PRO 305 2HD PRO 305 7.845 -0.010 -2.721 62 H CYS 306 HN CYS 306 2.886 -0.536 -0.588 63 HA CYS 306 HA CYS 306 1.763 1.750 0.472 64 HB2 CYS 306 3HB CYS 306 1.514 -1.104 0.865 65 HB3 CYS 306 2HB CYS 306 1.346 -0.252 2.401 66 HA PRO 307 HA PRO 307 4.274 3.156 3.782 67 HB2 PRO 307 3HB PRO 307 2.415 3.913 5.646 68 HB3 PRO 307 2HB PRO 307 2.705 4.795 4.147 69 HG2 PRO 307 3HG PRO 307 0.593 2.760 4.778 70 HG3 PRO 307 2HG PRO 307 0.433 4.347 3.938 71 HD2 PRO 307 3HD PRO 307 0.508 1.983 2.605 72 HD3 PRO 307 2HD PRO 307 1.193 3.478 1.943 73 H TYR 308 HN TYR 308 1.804 0.780 4.602 74 HA TYR 308 HA TYR 308 3.544 -0.191 6.775 75 HB2 TYR 308 3HB TYR 308 0.532 -0.122 6.559 76 HB3 TYR 308 2HB TYR 308 1.368 -1.175 7.705 77 HD1 TYR 308 1HD TYR 308 3.447 0.315 8.889 78 HD2 TYR 308 2HD TYR 308 -0.374 1.710 7.643 79 HE1 TYR 308 1HE TYR 308 3.596 2.154 10.515 80 HE2 TYR 308 2HE TYR 308 -0.236 3.555 9.265 81 HH TYR 308 HH TYR 308 2.641 4.003 11.297 82 H GLY 309 HN GLY 309 1.230 -1.140 4.258 83 HA2 GLY 309 2HA GLY 309 1.158 -3.016 2.931 84 HA3 GLY 309 3HA GLY 309 2.785 -3.386 3.482 85 H LYS 310 HN LYS 310 3.090 -4.954 4.975 86 HA LYS 310 HA LYS 310 1.043 -6.827 5.436 87 HB2 LYS 310 3HB LYS 310 2.669 -7.808 7.105 88 HB3 LYS 310 2HB LYS 310 3.290 -7.603 5.460 89 HG2 LYS 310 3HG LYS 310 4.604 -5.741 6.060 90 HG3 LYS 310 2HG LYS 310 3.769 -5.568 7.614 91 HD2 LYS 310 3HD LYS 310 4.843 -7.407 8.557 92 HD3 LYS 310 2HD LYS 310 5.259 -8.087 6.974 93 HE2 LYS 310 3HE LYS 310 6.661 -5.875 6.724 94 HE3 LYS 310 2HE LYS 310 6.567 -5.874 8.491 95 HZ1 LYS 310 3HZ LYS 310 7.656 -7.951 8.603 96 HZ2 LYS 310 1HZ LYS 310 8.554 -7.012 7.518 97 HZ3 LYS 310 2HZ LYS 310 7.514 -8.213 6.938 98 H LYS 311 HN LYS 311 2.207 -4.108 7.306 99 HA LYS 311 HA LYS 311 0.644 -4.833 9.636 100 HB2 LYS 311 3HB LYS 311 2.389 -2.461 8.963 101 HB3 LYS 311 2HB LYS 311 1.460 -2.573 10.466 102 HG2 LYS 311 3HG LYS 311 2.826 -4.134 11.378 103 HG3 LYS 311 2HG LYS 311 3.202 -4.869 9.808 104 HD2 LYS 311 3HD LYS 311 5.213 -3.856 10.524 105 HD3 LYS 311 2HD LYS 311 4.535 -2.768 9.299 106 HE2 LYS 311 3HE LYS 311 5.265 -1.382 11.086 107 HE3 LYS 311 2HE LYS 311 3.500 -1.458 11.187 108 HZ1 LYS 311 3HZ LYS 311 3.578 -2.832 13.034 109 HZ2 LYS 311 1HZ LYS 311 4.855 -1.761 13.320 110 HZ3 LYS 311 2HZ LYS 311 5.172 -3.321 12.749 111 H CYS 312 HN CYS 312 0.241 -3.023 6.757 112 HA CYS 312 HA CYS 312 -1.531 -1.030 7.455 113 HB2 CYS 312 3HB CYS 312 -0.523 -1.737 5.141 114 HB3 CYS 312 2HB CYS 312 -2.020 -2.657 4.984 115 H THR 313 HN THR 313 -3.850 -0.899 7.337 116 HA THR 313 HA THR 313 -5.132 -3.361 8.301 117 HB THR 313 HB THR 313 -6.959 -1.754 9.065 118 HG1 THR 313 1HG THR 313 -6.689 0.278 8.571 119 HG21 THR 313 3HG2 THR 313 -5.998 -1.982 11.062 120 HG22 THR 313 1HG2 THR 313 -4.749 -0.811 10.644 121 HG23 THR 313 2HG2 THR 313 -4.528 -2.515 10.247 122 H TYR 314 HN TYR 314 -5.333 -0.847 5.875 123 HA TYR 314 HA TYR 314 -7.887 -1.324 4.873 124 HB2 TYR 314 3HB TYR 314 -5.477 -0.587 3.198 125 HB3 TYR 314 2HB TYR 314 -7.170 -0.209 2.870 126 HD1 TYR 314 1HD TYR 314 -8.268 0.950 5.191 127 HD2 TYR 314 2HD TYR 314 -4.294 1.331 3.720 128 HE1 TYR 314 1HE TYR 314 -8.046 3.099 6.365 129 HE2 TYR 314 2HE TYR 314 -4.060 3.482 4.892 130 HH TYR 314 HH TYR 314 -5.998 5.342 5.724 131 H GLY 315 HN GLY 315 -4.799 -2.623 3.633 132 HA2 GLY 315 2HA GLY 315 -4.325 -4.659 2.666 133 HA3 GLY 315 3HA GLY 315 -5.899 -5.221 3.208 134 H ILE 316 HN ILE 316 -7.765 -4.697 1.890 135 HA ILE 316 HA ILE 316 -7.096 -4.822 -0.935 136 HB ILE 316 HB ILE 316 -9.779 -5.054 0.435 137 HG12 ILE 316 1HG1 ILE 316 -8.027 -7.211 -0.769 138 HG13 ILE 316 2HG1 ILE 316 -8.122 -6.857 0.964 139 HG21 ILE 316 1HG2 ILE 316 -9.878 -6.307 -2.045 140 HG22 ILE 316 2HG2 ILE 316 -10.630 -4.775 -1.600 141 HG23 ILE 316 3HG2 ILE 316 -9.031 -4.788 -2.342 142 HD11 ILE 316 3HD1 ILE 316 -10.606 -7.304 0.785 143 HD12 ILE 316 1HD1 ILE 316 -10.264 -7.974 -0.810 144 HD13 ILE 316 2HD1 ILE 316 -9.534 -8.695 0.625 145 H LYS 317 HN LYS 317 -8.486 -2.611 1.362 146 HA LYS 317 HA LYS 317 -9.289 -0.776 -0.777 147 HB2 LYS 317 3HB LYS 317 -10.414 0.506 0.973 148 HB3 LYS 317 2HB LYS 317 -10.924 -1.190 1.005 149 HG2 LYS 317 3HG LYS 317 -9.131 -1.501 2.819 150 HG3 LYS 317 2HG LYS 317 -9.150 0.269 2.927 151 HD2 LYS 317 3HD LYS 317 -11.656 -1.401 3.130 152 HD3 LYS 317 2HD LYS 317 -10.668 -0.968 4.536 153 HE2 LYS 317 3HE LYS 317 -10.917 1.458 3.790 154 HE3 LYS 317 2HE LYS 317 -12.164 0.868 2.682 155 HZ1 LYS 317 3HZ LYS 317 -12.495 1.551 5.327 156 HZ2 LYS 317 1HZ LYS 317 -12.594 -0.138 5.301 157 HZ3 LYS 317 2HZ LYS 317 -13.625 0.786 4.328 158 H CYS 318 HN CYS 318 -6.489 -1.310 -0.176 159 HA CYS 318 HA CYS 318 -5.547 1.107 1.143 160 HB2 CYS 318 3HB CYS 318 -4.416 -1.026 1.594 161 HB3 CYS 318 2HB CYS 318 -4.013 -1.177 -0.117 162 H ARG 319 HN ARG 319 -5.470 2.926 0.010 163 HA ARG 319 HA ARG 319 -5.691 3.200 -2.732 164 HB2 ARG 319 3HB ARG 319 -5.747 4.941 -0.734 165 HB3 ARG 319 2HB ARG 319 -4.068 5.203 -1.231 166 HG2 ARG 319 3HG ARG 319 -4.687 5.951 -3.373 167 HG3 ARG 319 2HG ARG 319 -6.335 5.327 -3.191 168 HD2 ARG 319 3HD ARG 319 -5.174 7.544 -1.492 169 HD3 ARG 319 2HD ARG 319 -6.128 7.809 -2.959 170 HE ARG 319 HE ARG 319 -7.120 7.095 -0.376 171 HH11 ARG 319 2HH1 ARG 319 -7.711 6.818 -3.796 172 HH12 ARG 319 1HH1 ARG 319 -9.421 6.611 -3.616 173 HH21 ARG 319 2HH2 ARG 319 -9.371 6.825 -0.127 174 HH22 ARG 319 1HH2 ARG 319 -10.365 6.617 -1.528 175 H PHE 320 HN PHE 320 -2.771 2.963 -0.751 176 HA PHE 320 HA PHE 320 -0.967 3.369 -2.921 177 HB2 PHE 320 3HB PHE 320 -0.772 2.636 -0.055 178 HB3 PHE 320 2HB PHE 320 0.553 2.088 -1.083 179 HD1 PHE 320 2HD PHE 320 -1.419 5.180 -0.409 180 HD2 PHE 320 1HD PHE 320 2.350 3.478 -1.418 181 HE1 PHE 320 2HE PHE 320 -0.385 7.411 -0.302 182 HE2 PHE 320 1HE PHE 320 3.389 5.705 -1.311 183 HZ PHE 320 HZ PHE 320 2.021 7.676 -0.754 184 H PHE 321 HN PHE 321 0.761 1.626 -3.358 185 HA PHE 321 HA PHE 321 -0.665 -0.763 -4.224 186 HB2 PHE 321 3HB PHE 321 1.021 0.745 -5.601 187 HB3 PHE 321 2HB PHE 321 2.224 -0.292 -4.832 188 HD1 PHE 321 1HD PHE 321 2.034 -2.800 -5.113 189 HD2 PHE 321 2HD PHE 321 -0.168 -0.026 -7.473 190 HE1 PHE 321 1HE PHE 321 1.652 -4.546 -6.803 191 HE2 PHE 321 2HE PHE 321 -0.555 -1.767 -9.167 192 HZ PHE 321 HZ PHE 321 0.355 -4.032 -8.833 193 H HIS 322 HN HIS 322 -0.522 -2.658 -3.226 194 HA HIS 322 HA HIS 322 1.318 -2.948 -0.993 195 HB2 HIS 322 3HB HIS 322 -1.147 -4.356 -1.926 196 HB3 HIS 322 2HB HIS 322 -0.019 -5.238 -0.894 197 HD1 HIS 322 1HD HIS 322 -0.045 -4.739 1.573 198 HD2 HIS 322 2HD HIS 322 -2.278 -2.023 -0.640 199 HE1 HIS 322 1HE HIS 322 -1.281 -3.350 3.265 200 HE2 HIS 322 2HE HIS 322 -2.646 -1.688 1.913 201 HA PRO 323 HA PRO 323 4.232 -5.556 -2.981 202 HB2 PRO 323 3HB PRO 323 4.907 -7.275 -0.959 203 HB3 PRO 323 2HB PRO 323 5.395 -5.581 -0.999 204 HG2 PRO 323 3HG PRO 323 3.096 -6.864 0.439 205 HG3 PRO 323 2HG PRO 323 4.283 -5.648 1.042 206 HD2 PRO 323 3HD PRO 323 1.769 -4.981 0.266 207 HD3 PRO 323 2HD PRO 323 3.158 -3.906 0.035 208 H GLU 324 HN GLU 324 1.605 -7.168 -1.255 209 HA GLU 324 HA GLU 324 1.878 -9.482 -3.050 210 HB2 GLU 324 3HB GLU 324 0.326 -9.244 -0.461 211 HB3 GLU 324 2HB GLU 324 0.525 -10.713 -1.428 212 HG2 GLU 324 3HG GLU 324 2.939 -9.278 -0.399 213 HG3 GLU 324 2HG GLU 324 2.000 -10.326 0.673 214 HE2 GLU 324 HE GLU 324 2.872 -12.827 -2.035 215 H ARG 325 HN ARG 325 -0.207 -6.876 -2.103 216 HA ARG 325 HA ARG 325 -2.270 -7.864 -3.961 217 HB2 ARG 325 3HB ARG 325 -2.442 -6.294 -1.411 218 HB3 ARG 325 2HB ARG 325 -3.704 -6.118 -2.638 219 HG2 ARG 325 3HG ARG 325 -2.878 -8.782 -1.495 220 HG3 ARG 325 2HG ARG 325 -4.183 -7.786 -0.828 221 HD2 ARG 325 3HD ARG 325 -4.118 -8.605 -3.729 222 HD3 ARG 325 2HD ARG 325 -4.843 -9.619 -2.473 223 HE ARG 325 HE ARG 325 -6.037 -7.218 -2.097 224 HH11 ARG 325 2HH1 ARG 325 -5.606 -9.281 -4.868 225 HH12 ARG 325 1HH1 ARG 325 -7.077 -8.780 -5.633 226 HH21 ARG 325 2HH2 ARG 325 -7.977 -6.550 -3.095 227 HH22 ARG 325 1HH2 ARG 325 -8.426 -7.226 -4.624 228 HA PRO 326 HA PRO 326 -1.701 -4.383 -6.568 229 HB2 PRO 326 3HB PRO 326 -4.264 -3.828 -7.357 230 HB3 PRO 326 2HB PRO 326 -3.362 -5.239 -7.905 231 HG2 PRO 326 3HG PRO 326 -5.382 -5.013 -5.699 232 HG3 PRO 326 2HG PRO 326 -5.232 -6.270 -6.983 233 HD2 PRO 326 3HD PRO 326 -4.379 -6.668 -4.436 234 HD3 PRO 326 2HD PRO 326 -3.565 -7.377 -5.840 235 H SER 327 HN SER 327 -3.064 -2.166 -7.067 236 HA SER 327 HA SER 327 -2.470 -0.432 -4.994 237 HB2 SER 327 1HB SER 327 -2.746 0.418 -7.228 238 HB3 SER 327 2HB SER 327 -4.433 -0.125 -7.276 239 HG SER 327 HG SER 327 -4.980 1.675 -6.363 Start of MODEL 5 1 H1 SER 299 HN SER 299 6.594 12.850 -1.172 2 HA SER 299 HA SER 299 5.395 12.497 -3.172 3 HB2 SER 299 1HB SER 299 8.301 13.018 -3.856 4 HB3 SER 299 2HB SER 299 6.977 13.142 -5.028 5 HG SER 299 HG SER 299 6.124 14.834 -3.908 6 H GLU 300 HN GLU 300 6.233 9.933 -2.067 7 HA GLU 300 HA GLU 300 6.817 8.451 -4.543 8 HB2 GLU 300 3HB GLU 300 7.476 6.576 -3.032 9 HB3 GLU 300 2HB GLU 300 8.491 8.018 -2.879 10 HG2 GLU 300 3HG GLU 300 6.168 7.672 -1.035 11 HG3 GLU 300 2HG GLU 300 7.650 6.745 -0.761 12 HE2 GLU 300 HE GLU 300 7.638 10.263 0.652 13 H HIS 301 HN HIS 301 4.309 9.198 -4.540 14 HA HIS 301 HA HIS 301 2.453 7.680 -3.086 15 HB2 HIS 301 3HB HIS 301 1.908 9.739 -4.360 16 HB3 HIS 301 2HB HIS 301 2.123 8.837 -5.862 17 HD1 HIS 301 1HD HIS 301 -0.107 8.787 -2.793 18 HD2 HIS 301 2HD HIS 301 -0.101 7.550 -6.759 19 HE1 HIS 301 1HE HIS 301 -2.427 7.924 -3.232 20 HE2 HIS 301 2HE HIS 301 -2.425 7.169 -5.656 21 H ARG 302 HN ARG 302 3.970 7.107 -6.234 22 HA ARG 302 HA ARG 302 2.888 4.366 -6.167 23 HB2 ARG 302 3HB ARG 302 3.328 4.425 -8.683 24 HB3 ARG 302 2HB ARG 302 1.971 5.388 -8.079 25 HG2 ARG 302 3HG ARG 302 3.231 7.419 -8.251 26 HG3 ARG 302 2HG ARG 302 4.701 6.514 -8.651 27 HD2 ARG 302 3HD ARG 302 3.844 5.847 -10.765 28 HD3 ARG 302 2HD ARG 302 2.213 6.383 -10.336 29 HE ARG 302 HE ARG 302 3.693 8.656 -10.182 30 HH11 ARG 302 2HH1 ARG 302 3.214 6.233 -12.637 31 HH12 ARG 302 1HH1 ARG 302 3.456 7.333 -13.954 32 HH21 ARG 302 2HH2 ARG 302 4.012 10.113 -11.908 33 HH22 ARG 302 1HH2 ARG 302 3.911 9.539 -13.538 34 H LYS 303 HN LYS 303 5.708 6.359 -6.413 35 HA LYS 303 HA LYS 303 7.581 4.644 -7.503 36 HB2 LYS 303 3HB LYS 303 7.986 6.566 -5.198 37 HB3 LYS 303 2HB LYS 303 9.263 5.895 -6.226 38 HG2 LYS 303 3HG LYS 303 7.810 6.972 -8.154 39 HG3 LYS 303 2HG LYS 303 7.263 8.006 -6.823 40 HD2 LYS 303 3HD LYS 303 10.193 7.518 -7.282 41 HD3 LYS 303 2HD LYS 303 9.315 8.745 -8.212 42 HE2 LYS 303 3HE LYS 303 8.934 10.084 -6.371 43 HE3 LYS 303 2HE LYS 303 9.037 8.723 -5.243 44 HZ1 LYS 303 3HZ LYS 303 11.079 10.503 -6.074 45 HZ2 LYS 303 1HZ LYS 303 11.523 8.909 -6.428 46 HZ3 LYS 303 2HZ LYS 303 11.113 9.341 -4.845 47 H GLN 304 HN GLN 304 6.824 5.027 -4.037 48 HA GLN 304 HA GLN 304 8.129 2.452 -3.524 49 HB2 GLN 304 3HB GLN 304 7.481 4.849 -1.855 50 HB3 GLN 304 2HB GLN 304 7.630 3.272 -1.063 51 HG2 GLN 304 3HG GLN 304 9.774 4.359 -2.870 52 HG3 GLN 304 2HG GLN 304 9.702 4.737 -1.144 53 HE21 GLN 304 1HE2 GLN 304 10.039 3.095 0.371 54 HE22 GLN 304 2HE2 GLN 304 10.810 1.608 -0.056 55 HA PRO 305 HA PRO 305 4.403 0.274 -2.747 56 HB2 PRO 305 3HB PRO 305 5.073 -1.291 -0.600 57 HB3 PRO 305 2HB PRO 305 5.693 -1.556 -2.229 58 HG2 PRO 305 3HG PRO 305 6.963 -0.123 0.080 59 HG3 PRO 305 2HG PRO 305 7.687 -1.324 -1.055 60 HD2 PRO 305 3HD PRO 305 8.100 1.348 -1.292 61 HD3 PRO 305 2HD PRO 305 8.004 0.267 -2.691 62 H CYS 306 HN CYS 306 3.022 -0.513 -0.702 63 HA CYS 306 HA CYS 306 1.761 1.702 0.354 64 HB2 CYS 306 3HB CYS 306 1.642 -1.165 0.707 65 HB3 CYS 306 2HB CYS 306 1.400 -0.344 2.251 66 HA PRO 307 HA PRO 307 4.125 3.193 3.734 67 HB2 PRO 307 3HB PRO 307 2.184 3.860 5.549 68 HB3 PRO 307 2HB PRO 307 2.479 4.762 4.064 69 HG2 PRO 307 3HG PRO 307 0.439 2.638 4.625 70 HG3 PRO 307 2HG PRO 307 0.234 4.222 3.788 71 HD2 PRO 307 3HD PRO 307 0.446 1.872 2.444 72 HD3 PRO 307 2HD PRO 307 1.087 3.398 1.812 73 H TYR 308 HN TYR 308 1.716 0.730 4.495 74 HA TYR 308 HA TYR 308 3.451 -0.198 6.691 75 HB2 TYR 308 3HB TYR 308 0.440 -0.262 6.428 76 HB3 TYR 308 2HB TYR 308 1.315 -1.228 7.619 77 HD1 TYR 308 2HD TYR 308 2.664 -0.091 9.397 78 HD2 TYR 308 1HD TYR 308 0.045 2.057 6.821 79 HE1 TYR 308 2HE TYR 308 2.684 1.804 10.965 80 HE2 TYR 308 1HE TYR 308 0.058 3.957 8.383 81 HH TYR 308 HH TYR 308 0.482 4.265 10.903 82 H GLY 309 HN GLY 309 1.203 -1.204 4.137 83 HA2 GLY 309 2HA GLY 309 1.233 -3.066 2.784 84 HA3 GLY 309 3HA GLY 309 2.838 -3.419 3.408 85 H LYS 310 HN LYS 310 3.085 -4.842 5.108 86 HA LYS 310 HA LYS 310 1.043 -6.796 5.411 87 HB2 LYS 310 3HB LYS 310 2.592 -7.769 7.132 88 HB3 LYS 310 2HB LYS 310 3.319 -7.513 5.538 89 HG2 LYS 310 3HG LYS 310 3.758 -5.151 7.030 90 HG3 LYS 310 2HG LYS 310 4.167 -6.526 8.070 91 HD2 LYS 310 3HD LYS 310 5.388 -7.387 5.886 92 HD3 LYS 310 2HD LYS 310 5.397 -5.657 5.500 93 HE2 LYS 310 3HE LYS 310 6.281 -5.446 7.987 94 HE3 LYS 310 2HE LYS 310 6.779 -7.120 7.695 95 HZ1 LYS 310 3HZ LYS 310 8.235 -6.495 6.039 96 HZ2 LYS 310 1HZ LYS 310 8.392 -5.212 7.130 97 HZ3 LYS 310 2HZ LYS 310 7.453 -5.026 5.737 98 H LYS 311 HN LYS 311 2.123 -4.073 7.337 99 HA LYS 311 HA LYS 311 0.448 -4.786 9.586 100 HB2 LYS 311 3HB LYS 311 2.181 -2.384 8.986 101 HB3 LYS 311 2HB LYS 311 1.214 -2.541 10.462 102 HG2 LYS 311 3HG LYS 311 2.459 -4.464 11.167 103 HG3 LYS 311 2HG LYS 311 3.328 -4.512 9.624 104 HD2 LYS 311 3HD LYS 311 4.166 -2.170 10.181 105 HD3 LYS 311 2HD LYS 311 3.546 -2.461 11.815 106 HE2 LYS 311 3HE LYS 311 6.004 -2.970 11.454 107 HE3 LYS 311 2HE LYS 311 5.031 -4.262 12.172 108 HZ1 LYS 311 3HZ LYS 311 5.110 -5.513 10.261 109 HZ2 LYS 311 1HZ LYS 311 6.642 -4.798 10.242 110 HZ3 LYS 311 2HZ LYS 311 5.411 -4.187 9.256 111 H CYS 312 HN CYS 312 0.159 -3.007 6.677 112 HA CYS 312 HA CYS 312 -1.652 -1.015 7.278 113 HB2 CYS 312 3HB CYS 312 -0.542 -1.704 5.022 114 HB3 CYS 312 2HB CYS 312 -1.992 -2.686 4.806 115 H THR 313 HN THR 313 -3.801 -0.889 7.677 116 HA THR 313 HA THR 313 -5.156 -3.369 8.362 117 HB THR 313 HB THR 313 -6.836 -1.994 9.422 118 HG1 THR 313 1HG THR 313 -6.431 0.383 9.324 119 HG21 THR 313 3HG2 THR 313 -4.359 -2.258 10.343 120 HG22 THR 313 1HG2 THR 313 -5.569 -1.298 11.194 121 HG23 THR 313 2HG2 THR 313 -4.374 -0.503 10.168 122 H TYR 314 HN TYR 314 -5.284 -0.855 5.952 123 HA TYR 314 HA TYR 314 -7.871 -1.284 4.960 124 HB2 TYR 314 3HB TYR 314 -5.487 -0.493 3.280 125 HB3 TYR 314 2HB TYR 314 -7.182 -0.075 3.019 126 HD1 TYR 314 1HD TYR 314 -8.034 0.817 5.685 127 HD2 TYR 314 2HD TYR 314 -4.412 1.564 3.582 128 HE1 TYR 314 1HE TYR 314 -7.743 2.909 6.944 129 HE2 TYR 314 2HE TYR 314 -4.109 3.659 4.837 130 HH TYR 314 HH TYR 314 -5.407 5.262 6.081 131 H GLY 315 HN GLY 315 -4.771 -2.520 3.682 132 HA2 GLY 315 2HA GLY 315 -4.283 -4.534 2.673 133 HA3 GLY 315 3HA GLY 315 -5.872 -5.105 3.160 134 H ILE 316 HN ILE 316 -7.719 -4.407 1.836 135 HA ILE 316 HA ILE 316 -6.957 -4.383 -0.990 136 HB ILE 316 HB ILE 316 -9.670 -4.892 0.235 137 HG12 ILE 316 1HG1 ILE 316 -7.693 -6.875 -0.914 138 HG13 ILE 316 2HG1 ILE 316 -7.918 -6.587 0.820 139 HG21 ILE 316 1HG2 ILE 316 -9.722 -6.055 -2.200 140 HG22 ILE 316 2HG2 ILE 316 -10.295 -4.420 -1.875 141 HG23 ILE 316 3HG2 ILE 316 -8.676 -4.673 -2.525 142 HD11 ILE 316 3HD1 ILE 316 -9.705 -7.966 -1.109 143 HD12 ILE 316 1HD1 ILE 316 -9.246 -8.416 0.533 144 HD13 ILE 316 2HD1 ILE 316 -10.423 -7.129 0.267 145 H LYS 317 HN LYS 317 -8.424 -2.420 1.442 146 HA LYS 317 HA LYS 317 -9.437 -0.528 -0.553 147 HB2 LYS 317 3HB LYS 317 -10.557 0.583 1.313 148 HB3 LYS 317 2HB LYS 317 -10.960 -1.141 1.270 149 HG2 LYS 317 3HG LYS 317 -9.075 -1.438 2.987 150 HG3 LYS 317 2HG LYS 317 -9.188 0.318 3.194 151 HD2 LYS 317 3HD LYS 317 -11.557 -1.544 3.439 152 HD3 LYS 317 2HD LYS 317 -10.554 -1.039 4.810 153 HE2 LYS 317 3HE LYS 317 -11.049 1.377 3.976 154 HE3 LYS 317 2HE LYS 317 -12.381 0.607 3.101 155 HZ1 LYS 317 3HZ LYS 317 -12.919 1.495 5.374 156 HZ2 LYS 317 1HZ LYS 317 -11.979 0.242 6.013 157 HZ3 LYS 317 2HZ LYS 317 -13.356 -0.116 5.099 158 H CYS 318 HN CYS 318 -6.575 -0.938 -0.040 159 HA CYS 318 HA CYS 318 -5.725 1.459 1.357 160 HB2 CYS 318 3HB CYS 318 -4.460 -0.650 1.595 161 HB3 CYS 318 2HB CYS 318 -4.095 -0.610 -0.131 162 H ARG 319 HN ARG 319 -4.629 3.193 0.415 163 HA ARG 319 HA ARG 319 -5.270 3.606 -2.408 164 HB2 ARG 319 3HB ARG 319 -4.408 5.507 -0.218 165 HB3 ARG 319 2HB ARG 319 -4.655 5.991 -1.903 166 HG2 ARG 319 3HG ARG 319 -6.806 4.703 -0.229 167 HG3 ARG 319 2HG ARG 319 -6.569 6.455 -0.348 168 HD2 ARG 319 3HD ARG 319 -7.048 4.623 -2.708 169 HD3 ARG 319 2HD ARG 319 -8.298 5.578 -1.899 170 HE ARG 319 HE ARG 319 -6.157 7.244 -2.707 171 HH11 ARG 319 2HH1 ARG 319 -8.880 5.473 -3.959 172 HH12 ARG 319 1HH1 ARG 319 -9.099 6.519 -5.322 173 HH21 ARG 319 2HH2 ARG 319 -6.435 8.629 -4.497 174 HH22 ARG 319 1HH2 ARG 319 -7.707 8.313 -5.629 175 H PHE 320 HN PHE 320 -3.055 1.887 -1.549 176 HA PHE 320 HA PHE 320 -0.958 3.184 -3.113 177 HB2 PHE 320 3HB PHE 320 -0.780 2.464 -0.245 178 HB3 PHE 320 2HB PHE 320 0.591 1.974 -1.243 179 HD1 PHE 320 2HD PHE 320 -1.465 4.931 -0.350 180 HD2 PHE 320 1HD PHE 320 2.257 3.487 -1.825 181 HE1 PHE 320 2HE PHE 320 -0.540 7.208 -0.232 182 HE2 PHE 320 1HE PHE 320 3.189 5.761 -1.708 183 HZ PHE 320 HZ PHE 320 1.790 7.625 -0.913 184 H PHE 321 HN PHE 321 0.895 1.526 -3.471 185 HA PHE 321 HA PHE 321 -0.372 -0.905 -4.442 186 HB2 PHE 321 3HB PHE 321 1.234 0.587 -5.794 187 HB3 PHE 321 2HB PHE 321 2.516 -0.142 -4.826 188 HD1 PHE 321 2HD PHE 321 0.009 -0.761 -7.414 189 HD2 PHE 321 1HD PHE 321 3.157 -2.449 -5.099 190 HE1 PHE 321 2HE PHE 321 0.091 -2.691 -8.938 191 HE2 PHE 321 1HE PHE 321 3.244 -4.381 -6.620 192 HZ PHE 321 HZ PHE 321 1.710 -4.505 -8.542 193 H HIS 322 HN HIS 322 -0.273 -2.782 -3.412 194 HA HIS 322 HA HIS 322 1.489 -3.051 -1.106 195 HB2 HIS 322 3HB HIS 322 -0.958 -4.461 -2.092 196 HB3 HIS 322 2HB HIS 322 0.131 -5.320 -0.999 197 HD1 HIS 322 1HD HIS 322 0.101 -4.691 1.452 198 HD2 HIS 322 2HD HIS 322 -2.203 -2.163 -0.906 199 HE1 HIS 322 1HE HIS 322 -1.208 -3.274 3.066 200 HE2 HIS 322 2HE HIS 322 -2.615 -1.727 1.626 201 HA PRO 323 HA PRO 323 4.428 -5.710 -2.987 202 HB2 PRO 323 3HB PRO 323 5.031 -7.412 -0.927 203 HB3 PRO 323 2HB PRO 323 5.537 -5.724 -0.975 204 HG2 PRO 323 3HG PRO 323 3.189 -6.967 0.417 205 HG3 PRO 323 2HG PRO 323 4.371 -5.756 1.038 206 HD2 PRO 323 3HD PRO 323 1.886 -5.074 0.186 207 HD3 PRO 323 2HD PRO 323 3.291 -4.016 -0.019 208 H GLU 324 HN GLU 324 1.746 -7.282 -1.307 209 HA GLU 324 HA GLU 324 2.039 -9.615 -3.071 210 HB2 GLU 324 3HB GLU 324 0.432 -9.334 -0.521 211 HB3 GLU 324 2HB GLU 324 0.631 -10.815 -1.470 212 HG2 GLU 324 3HG GLU 324 3.069 -9.430 -0.458 213 HG3 GLU 324 2HG GLU 324 2.077 -10.362 0.672 214 HE2 GLU 324 HE GLU 324 4.589 -12.371 -1.333 215 H ARG 325 HN ARG 325 -0.043 -6.981 -2.204 216 HA ARG 325 HA ARG 325 -2.073 -7.973 -4.097 217 HB2 ARG 325 3HB ARG 325 -2.283 -6.361 -1.576 218 HB3 ARG 325 2HB ARG 325 -3.514 -6.188 -2.836 219 HG2 ARG 325 3HG ARG 325 -2.749 -8.836 -1.615 220 HG3 ARG 325 2HG ARG 325 -4.071 -7.816 -1.023 221 HD2 ARG 325 3HD ARG 325 -5.231 -7.977 -3.134 222 HD3 ARG 325 2HD ARG 325 -3.860 -8.835 -3.852 223 HE ARG 325 HE ARG 325 -4.587 -10.773 -2.863 224 HH11 ARG 325 2HH1 ARG 325 -6.241 -8.059 -1.445 225 HH12 ARG 325 1HH1 ARG 325 -7.363 -9.038 -0.559 226 HH21 ARG 325 2HH2 ARG 325 -6.057 -12.074 -1.703 227 HH22 ARG 325 1HH2 ARG 325 -7.257 -11.323 -0.706 228 HA PRO 326 HA PRO 326 -1.408 -4.540 -6.746 229 HB2 PRO 326 3HB PRO 326 -3.948 -3.960 -7.592 230 HB3 PRO 326 2HB PRO 326 -3.055 -5.394 -8.100 231 HG2 PRO 326 3HG PRO 326 -5.113 -5.103 -5.937 232 HG3 PRO 326 2HG PRO 326 -4.957 -6.382 -7.198 233 HD2 PRO 326 3HD PRO 326 -4.159 -6.752 -4.630 234 HD3 PRO 326 2HD PRO 326 -3.328 -7.495 -6.007 235 H SER 327 HN SER 327 -4.227 -4.002 -4.625 236 HA SER 327 HA SER 327 -3.133 -1.593 -3.558 237 HB2 SER 327 1HB SER 327 -4.042 -0.983 -5.912 238 HB3 SER 327 2HB SER 327 -5.639 -1.159 -5.165 239 HG SER 327 HG SER 327 -4.583 1.011 -5.137 Start of MODEL 6 1 H1 SER 299 HN SER 299 8.878 13.506 -4.993 2 HA SER 299 HA SER 299 8.140 12.376 -2.372 3 HB2 SER 299 1HB SER 299 6.666 14.265 -3.421 4 HB3 SER 299 2HB SER 299 6.093 12.971 -4.488 5 HG SER 299 HG SER 299 6.075 12.805 -1.656 6 H GLU 300 HN GLU 300 7.421 10.269 -2.307 7 HA GLU 300 HA GLU 300 7.664 8.756 -4.825 8 HB2 GLU 300 3HB GLU 300 8.391 6.827 -3.434 9 HB3 GLU 300 2HB GLU 300 9.510 8.199 -3.383 10 HG2 GLU 300 3HG GLU 300 7.405 7.851 -1.274 11 HG3 GLU 300 2HG GLU 300 8.943 6.977 -1.193 12 HE2 GLU 300 HE GLU 300 9.037 10.406 0.338 13 H HIS 301 HN HIS 301 5.248 9.672 -4.517 14 HA HIS 301 HA HIS 301 3.562 8.061 -2.851 15 HB2 HIS 301 3HB HIS 301 1.714 9.232 -3.868 16 HB3 HIS 301 2HB HIS 301 2.996 10.393 -3.514 17 HD1 HIS 301 1HD HIS 301 0.788 9.416 -6.163 18 HD2 HIS 301 2HD HIS 301 4.648 10.938 -5.947 19 HE1 HIS 301 1HE HIS 301 1.269 10.357 -8.446 20 HE2 HIS 301 2HE HIS 301 3.627 11.287 -8.315 21 H ARG 302 HN ARG 302 4.804 7.845 -6.074 22 HA ARG 302 HA ARG 302 3.266 5.365 -6.460 23 HB2 ARG 302 3HB ARG 302 3.214 5.871 -8.903 24 HB3 ARG 302 2HB ARG 302 2.260 6.988 -7.917 25 HG2 ARG 302 3HG ARG 302 3.297 8.644 -8.973 26 HG3 ARG 302 2HG ARG 302 4.742 8.195 -8.054 27 HD2 ARG 302 3HD ARG 302 5.535 8.148 -10.230 28 HD3 ARG 302 2HD ARG 302 5.102 6.456 -9.948 29 HE ARG 302 HE ARG 302 3.425 6.647 -11.507 30 HH11 ARG 302 2HH1 ARG 302 4.616 9.812 -10.677 31 HH12 ARG 302 1HH1 ARG 302 3.748 10.613 -11.945 32 HH21 ARG 302 2HH2 ARG 302 2.278 7.691 -13.178 33 HH22 ARG 302 1HH2 ARG 302 2.418 9.406 -13.367 34 H LYS 303 HN LYS 303 6.036 6.024 -5.510 35 HA LYS 303 HA LYS 303 7.543 4.528 -7.555 36 HB2 LYS 303 3HB LYS 303 8.644 6.391 -5.438 37 HB3 LYS 303 2HB LYS 303 9.566 5.582 -6.715 38 HG2 LYS 303 3HG LYS 303 7.337 7.508 -7.327 39 HG3 LYS 303 2HG LYS 303 9.012 8.030 -7.072 40 HD2 LYS 303 3HD LYS 303 8.441 5.825 -9.018 41 HD3 LYS 303 2HD LYS 303 8.145 7.508 -9.486 42 HE2 LYS 303 3HE LYS 303 10.319 7.337 -10.166 43 HE3 LYS 303 2HE LYS 303 10.581 7.829 -8.486 44 HZ1 LYS 303 3HZ LYS 303 11.720 5.695 -9.585 45 HZ2 LYS 303 1HZ LYS 303 10.337 4.971 -8.933 46 HZ3 LYS 303 2HZ LYS 303 11.398 5.823 -7.930 47 H GLN 304 HN GLN 304 6.662 4.765 -4.189 48 HA GLN 304 HA GLN 304 8.094 2.244 -3.667 49 HB2 GLN 304 3HB GLN 304 7.618 4.671 -1.999 50 HB3 GLN 304 2HB GLN 304 7.664 3.098 -1.187 51 HG2 GLN 304 3HG GLN 304 9.849 4.327 -2.866 52 HG3 GLN 304 2HG GLN 304 9.841 4.113 -1.110 53 HE21 GLN 304 1HE2 GLN 304 10.257 2.115 -0.235 54 HE22 GLN 304 2HE2 GLN 304 10.848 0.784 -1.166 55 HA PRO 305 HA PRO 305 4.328 0.188 -2.766 56 HB2 PRO 305 3HB PRO 305 5.005 -1.385 -0.628 57 HB3 PRO 305 2HB PRO 305 5.574 -1.678 -2.270 58 HG2 PRO 305 3HG PRO 305 6.948 -0.273 -0.005 59 HG3 PRO 305 2HG PRO 305 7.603 -1.503 -1.150 60 HD2 PRO 305 3HD PRO 305 8.094 1.154 -1.416 61 HD3 PRO 305 2HD PRO 305 7.927 0.067 -2.805 62 H CYS 306 HN CYS 306 2.959 -0.529 -0.700 63 HA CYS 306 HA CYS 306 1.815 1.736 0.382 64 HB2 CYS 306 3HB CYS 306 1.581 -1.123 0.735 65 HB3 CYS 306 2HB CYS 306 1.409 -0.299 2.285 66 HA PRO 307 HA PRO 307 4.311 3.122 3.713 67 HB2 PRO 307 3HB PRO 307 2.437 3.871 5.565 68 HB3 PRO 307 2HB PRO 307 2.742 4.761 4.074 69 HG2 PRO 307 3HG PRO 307 0.621 2.727 4.677 70 HG3 PRO 307 2HG PRO 307 0.470 4.320 3.843 71 HD2 PRO 307 3HD PRO 307 0.553 1.962 2.498 72 HD3 PRO 307 2HD PRO 307 1.246 3.459 1.850 73 H TYR 308 HN TYR 308 1.812 0.766 4.524 74 HA TYR 308 HA TYR 308 3.547 -0.236 6.686 75 HB2 TYR 308 3HB TYR 308 0.534 -0.141 6.484 76 HB3 TYR 308 2HB TYR 308 1.371 -1.184 7.636 77 HD1 TYR 308 2HD TYR 308 3.118 -0.006 9.192 78 HD2 TYR 308 1HD TYR 308 -0.013 2.025 7.149 79 HE1 TYR 308 2HE TYR 308 3.280 1.850 10.799 80 HE2 TYR 308 1HE TYR 308 0.141 3.886 8.748 81 HH TYR 308 HH TYR 308 2.180 3.701 11.592 82 H GLY 309 HN GLY 309 1.207 -1.144 4.178 83 HA2 GLY 309 2HA GLY 309 1.130 -3.006 2.825 84 HA3 GLY 309 3HA GLY 309 2.729 -3.429 3.418 85 H LYS 310 HN LYS 310 2.948 -4.902 5.062 86 HA LYS 310 HA LYS 310 0.821 -6.744 5.424 87 HB2 LYS 310 3HB LYS 310 2.367 -7.797 7.106 88 HB3 LYS 310 2HB LYS 310 3.054 -7.581 5.489 89 HG2 LYS 310 3HG LYS 310 4.388 -5.753 6.177 90 HG3 LYS 310 2HG LYS 310 3.518 -5.619 7.715 91 HD2 LYS 310 3HD LYS 310 4.483 -7.589 8.574 92 HD3 LYS 310 2HD LYS 310 5.039 -8.102 6.971 93 HE2 LYS 310 3HE LYS 310 6.978 -7.325 8.067 94 HE3 LYS 310 2HE LYS 310 6.498 -6.019 6.971 95 HZ1 LYS 310 3HZ LYS 310 5.776 -4.706 8.701 96 HZ2 LYS 310 1HZ LYS 310 7.114 -5.470 9.401 97 HZ3 LYS 310 2HZ LYS 310 5.549 -6.006 9.758 98 H LYS 311 HN LYS 311 2.077 -4.083 7.327 99 HA LYS 311 HA LYS 311 0.437 -4.730 9.623 100 HB2 LYS 311 3HB LYS 311 2.268 -2.415 8.973 101 HB3 LYS 311 2HB LYS 311 1.322 -2.507 10.467 102 HG2 LYS 311 3HG LYS 311 2.556 -4.268 11.316 103 HG3 LYS 311 2HG LYS 311 3.128 -4.762 9.712 104 HD2 LYS 311 3HD LYS 311 4.991 -3.776 10.798 105 HD3 LYS 311 2HD LYS 311 4.406 -2.584 9.625 106 HE2 LYS 311 3HE LYS 311 3.551 -1.180 11.253 107 HE3 LYS 311 2HE LYS 311 3.368 -2.498 12.421 108 HZ1 LYS 311 3HZ LYS 311 5.868 -2.577 12.479 109 HZ2 LYS 311 1HZ LYS 311 5.163 -1.200 13.163 110 HZ3 LYS 311 2HZ LYS 311 5.864 -1.116 11.627 111 H CYS 312 HN CYS 312 0.134 -2.942 6.724 112 HA CYS 312 HA CYS 312 -1.565 -0.870 7.375 113 HB2 CYS 312 3HB CYS 312 -0.564 -1.634 5.084 114 HB3 CYS 312 2HB CYS 312 -2.079 -2.524 4.925 115 H THR 313 HN THR 313 -3.785 -0.625 7.570 116 HA THR 313 HA THR 313 -5.179 -2.961 8.574 117 HB THR 313 HB THR 313 -7.020 -1.283 9.053 118 HG1 THR 313 1HG THR 313 -6.236 0.943 8.996 119 HG21 THR 313 3HG2 THR 313 -4.782 -1.924 10.467 120 HG22 THR 313 1HG2 THR 313 -6.105 -0.934 11.083 121 HG23 THR 313 2HG2 THR 313 -4.668 -0.166 10.410 122 H TYR 314 HN TYR 314 -5.489 -0.641 5.922 123 HA TYR 314 HA TYR 314 -7.942 -1.461 4.899 124 HB2 TYR 314 3HB TYR 314 -5.591 -0.565 3.222 125 HB3 TYR 314 2HB TYR 314 -7.307 -0.383 2.853 126 HD1 TYR 314 1HD TYR 314 -8.398 0.649 5.374 127 HD2 TYR 314 2HD TYR 314 -4.778 1.625 3.365 128 HE1 TYR 314 1HE TYR 314 -8.419 2.870 6.430 129 HE2 TYR 314 2HE TYR 314 -4.789 3.849 4.414 130 HH TYR 314 HH TYR 314 -6.976 4.671 6.960 131 H GLY 315 HN GLY 315 -4.698 -2.477 3.797 132 HA2 GLY 315 2HA GLY 315 -3.979 -4.507 2.978 133 HA3 GLY 315 3HA GLY 315 -5.508 -5.200 3.499 134 H ILE 316 HN ILE 316 -7.382 -4.872 2.098 135 HA ILE 316 HA ILE 316 -6.582 -5.062 -0.703 136 HB ILE 316 HB ILE 316 -9.287 -5.588 0.533 137 HG12 ILE 316 1HG1 ILE 316 -7.183 -7.582 -0.334 138 HG13 ILE 316 2HG1 ILE 316 -7.438 -7.084 1.347 139 HG21 ILE 316 1HG2 ILE 316 -9.953 -5.533 -1.596 140 HG22 ILE 316 2HG2 ILE 316 -8.297 -5.521 -2.201 141 HG23 ILE 316 3HG2 ILE 316 -9.075 -7.049 -1.789 142 HD11 ILE 316 3HD1 ILE 316 -8.774 -9.112 -0.120 143 HD12 ILE 316 1HD1 ILE 316 -8.976 -8.651 1.570 144 HD13 ILE 316 2HD1 ILE 316 -9.948 -7.872 0.322 145 H LYS 317 HN LYS 317 -8.303 -2.971 1.467 146 HA LYS 317 HA LYS 317 -9.324 -1.359 -0.755 147 HB2 LYS 317 3HB LYS 317 -10.617 -0.155 0.933 148 HB3 LYS 317 2HB LYS 317 -10.900 -1.900 1.044 149 HG2 LYS 317 3HG LYS 317 -8.961 -1.761 2.834 150 HG3 LYS 317 2HG LYS 317 -9.516 -0.081 2.938 151 HD2 LYS 317 3HD LYS 317 -10.780 -1.191 4.566 152 HD3 LYS 317 2HD LYS 317 -11.872 -1.067 3.175 153 HE2 LYS 317 3HE LYS 317 -11.409 -3.356 2.534 154 HE3 LYS 317 2HE LYS 317 -10.191 -3.488 3.810 155 HZ1 LYS 317 3HZ LYS 317 -12.344 -2.746 5.214 156 HZ2 LYS 317 1HZ LYS 317 -11.882 -4.355 4.971 157 HZ3 LYS 317 2HZ LYS 317 -13.072 -3.660 3.991 158 H CYS 318 HN CYS 318 -6.485 -1.481 -0.157 159 HA CYS 318 HA CYS 318 -5.880 1.101 1.046 160 HB2 CYS 318 3HB CYS 318 -4.487 -0.851 1.606 161 HB3 CYS 318 2HB CYS 318 -4.036 -1.011 -0.092 162 H ARG 319 HN ARG 319 -5.032 2.845 -0.031 163 HA ARG 319 HA ARG 319 -5.634 3.026 -2.831 164 HB2 ARG 319 3HB ARG 319 -5.771 4.844 -0.932 165 HB3 ARG 319 2HB ARG 319 -4.081 5.127 -1.378 166 HG2 ARG 319 3HG ARG 319 -5.298 6.677 -2.641 167 HG3 ARG 319 2HG ARG 319 -4.914 5.367 -3.770 168 HD2 ARG 319 3HD ARG 319 -7.133 4.428 -3.528 169 HD3 ARG 319 2HD ARG 319 -7.521 5.616 -2.276 170 HE ARG 319 HE ARG 319 -6.771 6.942 -4.652 171 HH11 ARG 319 2HH1 ARG 319 -9.372 5.081 -3.277 172 HH12 ARG 319 1HH1 ARG 319 -10.593 5.822 -4.258 173 HH21 ARG 319 2HH2 ARG 319 -8.370 7.925 -5.948 174 HH22 ARG 319 1HH2 ARG 319 -10.023 7.438 -5.778 175 H PHE 320 HN PHE 320 -2.707 2.896 -0.864 176 HA PHE 320 HA PHE 320 -0.909 3.333 -3.030 177 HB2 PHE 320 3HB PHE 320 -0.710 2.604 -0.166 178 HB3 PHE 320 2HB PHE 320 0.621 2.056 -1.188 179 HD1 PHE 320 2HD PHE 320 -1.373 5.148 -0.574 180 HD2 PHE 320 1HD PHE 320 2.420 3.447 -1.485 181 HE1 PHE 320 2HE PHE 320 -0.350 7.383 -0.473 182 HE2 PHE 320 1HE PHE 320 3.450 5.679 -1.384 183 HZ PHE 320 HZ PHE 320 2.064 7.651 -0.880 184 H PHE 321 HN PHE 321 0.871 1.599 -3.416 185 HA PHE 321 HA PHE 321 -0.513 -0.776 -4.369 186 HB2 PHE 321 3HB PHE 321 1.118 0.637 -5.758 187 HB3 PHE 321 2HB PHE 321 2.396 -0.112 -4.800 188 HD1 PHE 321 2HD PHE 321 -0.336 -0.828 -7.175 189 HD2 PHE 321 1HD PHE 321 3.144 -2.306 -5.223 190 HE1 PHE 321 2HE PHE 321 -0.326 -2.778 -8.677 191 HE2 PHE 321 1HE PHE 321 3.161 -4.258 -6.721 192 HZ PHE 321 HZ PHE 321 1.424 -4.496 -8.450 193 H HIS 322 HN HIS 322 -0.494 -2.641 -3.318 194 HA HIS 322 HA HIS 322 1.299 -2.991 -1.050 195 HB2 HIS 322 3HB HIS 322 -1.221 -4.294 -1.998 196 HB3 HIS 322 2HB HIS 322 -0.152 -5.204 -0.926 197 HD1 HIS 322 1HD HIS 322 -0.114 -4.583 1.528 198 HD2 HIS 322 2HD HIS 322 -2.346 -1.949 -0.782 199 HE1 HIS 322 1HE HIS 322 -1.331 -3.117 3.168 200 HE2 HIS 322 2HE HIS 322 -2.697 -1.507 1.757 201 HA PRO 323 HA PRO 323 4.096 -5.767 -2.975 202 HB2 PRO 323 3HB PRO 323 4.667 -7.488 -0.922 203 HB3 PRO 323 2HB PRO 323 5.239 -5.821 -0.983 204 HG2 PRO 323 3HG PRO 323 2.867 -6.967 0.451 205 HG3 PRO 323 2HG PRO 323 4.108 -5.802 1.049 206 HD2 PRO 323 3HD PRO 323 1.637 -5.022 0.239 207 HD3 PRO 323 2HD PRO 323 3.080 -4.022 0.007 208 H GLU 324 HN GLU 324 1.374 -7.218 -1.256 209 HA GLU 324 HA GLU 324 1.548 -9.570 -3.012 210 HB2 GLU 324 3HB GLU 324 -0.051 -9.232 -0.463 211 HB3 GLU 324 2HB GLU 324 0.155 -10.726 -1.391 212 HG2 GLU 324 3HG GLU 324 2.419 -10.933 -0.788 213 HG3 GLU 324 2HG GLU 324 2.485 -9.267 -0.194 214 HE2 GLU 324 HE GLU 324 0.613 -11.879 2.153 215 H ARG 325 HN ARG 325 -0.413 -6.849 -2.126 216 HA ARG 325 HA ARG 325 -2.503 -7.760 -3.995 217 HB2 ARG 325 3HB ARG 325 -2.621 -6.160 -1.461 218 HB3 ARG 325 2HB ARG 325 -3.853 -5.913 -2.708 219 HG2 ARG 325 3HG ARG 325 -3.286 -8.711 -1.886 220 HG3 ARG 325 2HG ARG 325 -4.156 -7.669 -0.748 221 HD2 ARG 325 3HD ARG 325 -5.738 -7.095 -2.633 222 HD3 ARG 325 2HD ARG 325 -4.946 -8.372 -3.568 223 HE ARG 325 HE ARG 325 -5.917 -9.229 -0.993 224 HH11 ARG 325 2HH1 ARG 325 -6.682 -8.780 -4.360 225 HH12 ARG 325 1HH1 ARG 325 -7.963 -9.945 -4.358 226 HH21 ARG 325 2HH2 ARG 325 -7.602 -10.765 -0.979 227 HH22 ARG 325 1HH2 ARG 325 -8.488 -11.073 -2.435 228 HA PRO 326 HA PRO 326 -1.737 -4.346 -6.641 229 HB2 PRO 326 3HB PRO 326 -4.262 -3.667 -7.456 230 HB3 PRO 326 2HB PRO 326 -3.431 -5.132 -7.979 231 HG2 PRO 326 3HG PRO 326 -5.452 -4.770 -5.792 232 HG3 PRO 326 2HG PRO 326 -5.359 -6.049 -7.059 233 HD2 PRO 326 3HD PRO 326 -4.547 -6.457 -4.501 234 HD3 PRO 326 2HD PRO 326 -3.761 -7.229 -5.889 235 H SER 327 HN SER 327 -2.975 -2.068 -7.178 236 HA SER 327 HA SER 327 -2.333 -0.365 -5.070 237 HB2 SER 327 1HB SER 327 -3.977 -0.010 -7.571 238 HB3 SER 327 2HB SER 327 -3.800 1.311 -6.403 239 HG SER 327 HG SER 327 -1.816 1.609 -7.039 Start of MODEL 7 1 H1 SER 299 HN SER 299 7.576 12.694 -1.422 2 HA SER 299 HA SER 299 7.278 13.026 -4.187 3 HB2 SER 299 1HB SER 299 9.578 12.233 -2.416 4 HB3 SER 299 2HB SER 299 9.757 12.203 -4.179 5 HG SER 299 HG SER 299 10.349 14.224 -3.598 6 H GLU 300 HN GLU 300 7.505 10.157 -2.207 7 HA GLU 300 HA GLU 300 7.593 8.459 -4.595 8 HB2 GLU 300 3HB GLU 300 8.030 6.606 -3.039 9 HB3 GLU 300 2HB GLU 300 9.207 7.915 -2.854 10 HG2 GLU 300 3HG GLU 300 6.801 7.899 -1.093 11 HG3 GLU 300 2HG GLU 300 8.113 6.757 -0.768 12 HE2 GLU 300 HE GLU 300 10.281 9.663 -0.330 13 H HIS 301 HN HIS 301 5.230 9.808 -4.320 14 HA HIS 301 HA HIS 301 3.267 8.348 -2.862 15 HB2 HIS 301 3HB HIS 301 2.989 10.720 -3.483 16 HB3 HIS 301 2HB HIS 301 2.908 10.255 -5.186 17 HD1 HIS 301 1HD HIS 301 0.925 9.991 -1.995 18 HD2 HIS 301 2HD HIS 301 0.459 9.343 -6.072 19 HE1 HIS 301 1HE HIS 301 -1.533 9.588 -2.336 20 HE2 HIS 301 2HE HIS 301 -1.820 9.192 -4.827 21 H ARG 302 HN ARG 302 4.678 8.046 -6.017 22 HA ARG 302 HA ARG 302 2.975 5.704 -6.509 23 HB2 ARG 302 3HB ARG 302 2.949 6.266 -8.928 24 HB3 ARG 302 2HB ARG 302 2.097 7.450 -7.925 25 HG2 ARG 302 3HG ARG 302 3.251 8.953 -9.121 26 HG3 ARG 302 2HG ARG 302 4.561 8.553 -7.999 27 HD2 ARG 302 3HD ARG 302 5.692 7.264 -9.538 28 HD3 ARG 302 2HD ARG 302 4.219 6.879 -10.437 29 HE ARG 302 HE ARG 302 4.767 9.637 -10.654 30 HH11 ARG 302 2HH1 ARG 302 5.927 6.542 -11.748 31 HH12 ARG 302 1HH1 ARG 302 6.587 7.165 -13.224 32 HH21 ARG 302 2HH2 ARG 302 5.631 10.469 -12.594 33 HH22 ARG 302 1HH2 ARG 302 6.419 9.399 -13.704 34 H LYS 303 HN LYS 303 5.719 6.070 -5.466 35 HA LYS 303 HA LYS 303 7.178 4.579 -7.548 36 HB2 LYS 303 3HB LYS 303 8.351 6.325 -5.369 37 HB3 LYS 303 2HB LYS 303 9.254 5.475 -6.633 38 HG2 LYS 303 3HG LYS 303 7.163 7.531 -7.299 39 HG3 LYS 303 2HG LYS 303 8.844 7.970 -6.947 40 HD2 LYS 303 3HD LYS 303 9.530 6.304 -8.734 41 HD3 LYS 303 2HD LYS 303 7.817 6.231 -9.180 42 HE2 LYS 303 3HE LYS 303 8.595 7.851 -10.634 43 HE3 LYS 303 2HE LYS 303 8.006 8.827 -9.279 44 HZ1 LYS 303 3HZ LYS 303 10.500 8.457 -8.500 45 HZ2 LYS 303 1HZ LYS 303 10.044 9.743 -9.500 46 HZ3 LYS 303 2HZ LYS 303 10.739 8.355 -10.171 47 H GLN 304 HN GLN 304 7.159 5.079 -4.014 48 HA GLN 304 HA GLN 304 8.188 2.411 -3.578 49 HB2 GLN 304 3HB GLN 304 7.598 4.791 -1.874 50 HB3 GLN 304 2HB GLN 304 7.664 3.200 -1.100 51 HG2 GLN 304 3HG GLN 304 9.865 4.492 -2.712 52 HG3 GLN 304 2HG GLN 304 9.806 4.319 -0.952 53 HE21 GLN 304 1HE2 GLN 304 10.450 2.765 -3.950 54 HE22 GLN 304 2HE2 GLN 304 11.028 1.271 -3.304 55 HA PRO 305 HA PRO 305 4.431 0.270 -2.856 56 HB2 PRO 305 3HB PRO 305 5.063 -1.337 -0.730 57 HB3 PRO 305 2HB PRO 305 5.692 -1.585 -2.359 58 HG2 PRO 305 3HG PRO 305 6.963 -0.206 -0.018 59 HG3 PRO 305 2HG PRO 305 7.680 -1.399 -1.165 60 HD2 PRO 305 3HD PRO 305 8.130 1.271 -1.357 61 HD3 PRO 305 2HD PRO 305 8.031 0.213 -2.774 62 H CYS 306 HN CYS 306 3.060 -0.556 -0.792 63 HA CYS 306 HA CYS 306 1.781 1.645 0.266 64 HB2 CYS 306 3HB CYS 306 1.694 -1.219 0.620 65 HB3 CYS 306 2HB CYS 306 1.473 -0.409 2.173 66 HA PRO 307 HA PRO 307 4.163 3.186 3.613 67 HB2 PRO 307 3HB PRO 307 2.226 3.870 5.424 68 HB3 PRO 307 2HB PRO 307 2.514 4.755 3.926 69 HG2 PRO 307 3HG PRO 307 0.478 2.633 4.520 70 HG3 PRO 307 2HG PRO 307 0.269 4.206 3.664 71 HD2 PRO 307 3HD PRO 307 0.483 1.840 2.350 72 HD3 PRO 307 2HD PRO 307 1.118 3.360 1.696 73 H TYR 308 HN TYR 308 1.752 0.736 4.422 74 HA TYR 308 HA TYR 308 3.504 -0.169 6.613 75 HB2 TYR 308 3HB TYR 308 0.490 -0.220 6.383 76 HB3 TYR 308 2HB TYR 308 1.372 -1.175 7.576 77 HD1 TYR 308 1HD TYR 308 2.696 -0.046 9.356 78 HD2 TYR 308 2HD TYR 308 0.160 2.127 6.719 79 HE1 TYR 308 1HE TYR 308 2.742 1.869 10.899 80 HE2 TYR 308 2HE TYR 308 0.199 4.047 8.254 81 HH TYR 308 HH TYR 308 0.966 3.947 11.305 82 H GLY 309 HN GLY 309 1.222 -1.200 4.100 83 HA2 GLY 309 2HA GLY 309 1.218 -3.085 2.778 84 HA3 GLY 309 3HA GLY 309 2.837 -3.427 3.371 85 H LYS 310 HN LYS 310 3.121 -4.798 5.119 86 HA LYS 310 HA LYS 310 1.098 -6.765 5.482 87 HB2 LYS 310 3HB LYS 310 2.681 -7.699 7.193 88 HB3 LYS 310 2HB LYS 310 3.379 -7.468 5.581 89 HG2 LYS 310 3HG LYS 310 4.561 -5.518 6.269 90 HG3 LYS 310 2HG LYS 310 3.704 -5.486 7.820 91 HD2 LYS 310 3HD LYS 310 5.215 -7.960 7.145 92 HD3 LYS 310 2HD LYS 310 6.149 -6.514 7.562 93 HE2 LYS 310 3HE LYS 310 5.877 -7.454 9.647 94 HE3 LYS 310 2HE LYS 310 4.477 -6.375 9.573 95 HZ1 LYS 310 3HZ LYS 310 3.083 -8.089 9.661 96 HZ2 LYS 310 1HZ LYS 310 4.409 -9.047 10.090 97 HZ3 LYS 310 2HZ LYS 310 3.918 -8.957 8.473 98 H LYS 311 HN LYS 311 2.212 -4.014 7.353 99 HA LYS 311 HA LYS 311 0.588 -4.692 9.646 100 HB2 LYS 311 3HB LYS 311 2.288 -2.295 8.945 101 HB3 LYS 311 2HB LYS 311 1.332 -2.393 10.432 102 HG2 LYS 311 3HG LYS 311 2.672 -4.004 11.371 103 HG3 LYS 311 2HG LYS 311 3.227 -4.600 9.797 104 HD2 LYS 311 3HD LYS 311 5.097 -3.495 10.680 105 HD3 LYS 311 2HD LYS 311 4.389 -2.331 9.547 106 HE2 LYS 311 3HE LYS 311 3.347 -1.105 11.336 107 HE3 LYS 311 2HE LYS 311 3.819 -2.346 12.505 108 HZ1 LYS 311 3HZ LYS 311 5.235 -0.090 11.865 109 HZ2 LYS 311 1HZ LYS 311 6.078 -1.338 11.093 110 HZ3 LYS 311 2HZ LYS 311 5.800 -1.411 12.759 111 H CYS 312 HN CYS 312 0.214 -2.961 6.711 112 HA CYS 312 HA CYS 312 -1.628 -1.000 7.321 113 HB2 CYS 312 3HB CYS 312 -0.537 -1.813 5.041 114 HB3 CYS 312 2HB CYS 312 -2.082 -2.647 4.873 115 H THR 313 HN THR 313 -3.878 -0.902 7.418 116 HA THR 313 HA THR 313 -5.145 -3.408 8.254 117 HB THR 313 HB THR 313 -5.256 -1.498 9.820 118 HG1 THR 313 1HG THR 313 -7.109 -2.335 10.380 119 HG21 THR 313 3HG2 THR 313 -6.100 0.547 9.302 120 HG22 THR 313 1HG2 THR 313 -7.268 -0.105 8.153 121 HG23 THR 313 2HG2 THR 313 -5.579 0.088 7.680 122 H TYR 314 HN TYR 314 -5.323 -0.895 5.846 123 HA TYR 314 HA TYR 314 -7.901 -1.348 4.860 124 HB2 TYR 314 3HB TYR 314 -5.517 -0.573 3.170 125 HB3 TYR 314 2HB TYR 314 -7.213 -0.169 2.895 126 HD1 TYR 314 2HD TYR 314 -8.184 0.863 5.384 127 HD2 TYR 314 1HD TYR 314 -4.353 1.386 3.607 128 HE1 TYR 314 2HE TYR 314 -7.909 2.977 6.612 129 HE2 TYR 314 1HE TYR 314 -4.067 3.501 4.831 130 HH TYR 314 HH TYR 314 -5.752 4.366 7.423 131 H GLY 315 HN GLY 315 -4.807 -2.600 3.585 132 HA2 GLY 315 2HA GLY 315 -4.323 -4.629 2.603 133 HA3 GLY 315 3HA GLY 315 -5.914 -5.190 3.096 134 H ILE 316 HN ILE 316 -7.761 -4.485 1.766 135 HA ILE 316 HA ILE 316 -7.000 -4.509 -1.061 136 HB ILE 316 HB ILE 316 -9.719 -4.969 0.169 137 HG12 ILE 316 1HG1 ILE 316 -7.754 -6.992 -0.931 138 HG13 ILE 316 2HG1 ILE 316 -7.995 -6.673 0.794 139 HG21 ILE 316 1HG2 ILE 316 -9.603 -6.190 -2.311 140 HG22 ILE 316 2HG2 ILE 316 -10.432 -4.684 -1.921 141 HG23 ILE 316 3HG2 ILE 316 -8.787 -4.647 -2.555 142 HD11 ILE 316 3HD1 ILE 316 -9.291 -8.591 -0.626 143 HD12 ILE 316 1HD1 ILE 316 -9.856 -7.896 0.892 144 HD13 ILE 316 2HD1 ILE 316 -10.464 -7.275 -0.643 145 H LYS 317 HN LYS 317 -8.473 -2.508 1.343 146 HA LYS 317 HA LYS 317 -9.451 -0.628 -0.680 147 HB2 LYS 317 3HB LYS 317 -10.574 0.514 1.168 148 HB3 LYS 317 2HB LYS 317 -10.992 -1.207 1.138 149 HG2 LYS 317 3HG LYS 317 -9.164 -1.533 2.881 150 HG3 LYS 317 2HG LYS 317 -9.178 0.232 3.046 151 HD2 LYS 317 3HD LYS 317 -10.667 -0.397 4.700 152 HD3 LYS 317 2HD LYS 317 -11.749 -0.082 3.333 153 HE2 LYS 317 3HE LYS 317 -12.527 -2.123 4.138 154 HE3 LYS 317 2HE LYS 317 -11.460 -2.592 2.807 155 HZ1 LYS 317 3HZ LYS 317 -11.110 -2.961 5.678 156 HZ2 LYS 317 1HZ LYS 317 -9.716 -2.622 4.780 157 HZ3 LYS 317 2HZ LYS 317 -10.664 -3.968 4.394 158 H CYS 318 HN CYS 318 -6.582 -1.099 -0.020 159 HA CYS 318 HA CYS 318 -5.718 1.303 1.330 160 HB2 CYS 318 3HB CYS 318 -4.492 -0.862 1.501 161 HB3 CYS 318 2HB CYS 318 -4.074 -0.718 -0.207 162 H ARG 319 HN ARG 319 -4.610 3.036 0.403 163 HA ARG 319 HA ARG 319 -5.258 3.488 -2.412 164 HB2 ARG 319 3HB ARG 319 -4.168 5.465 -0.399 165 HB3 ARG 319 2HB ARG 319 -4.896 5.826 -1.971 166 HG2 ARG 319 3HG ARG 319 -6.383 4.530 0.314 167 HG3 ARG 319 2HG ARG 319 -6.377 6.271 -0.022 168 HD2 ARG 319 3HD ARG 319 -7.227 4.191 -2.044 169 HD3 ARG 319 2HD ARG 319 -8.347 4.996 -0.937 170 HE ARG 319 HE ARG 319 -6.956 7.010 -2.219 171 HH11 ARG 319 2HH1 ARG 319 -9.079 4.398 -3.109 172 HH12 ARG 319 1HH1 ARG 319 -9.716 5.216 -4.498 173 HH21 ARG 319 2HH2 ARG 319 -7.786 8.097 -4.044 174 HH22 ARG 319 1HH2 ARG 319 -8.980 7.319 -5.028 175 H PHE 320 HN PHE 320 -3.079 1.720 -1.650 176 HA PHE 320 HA PHE 320 -0.986 2.986 -3.222 177 HB2 PHE 320 3HB PHE 320 -0.769 2.393 -0.332 178 HB3 PHE 320 2HB PHE 320 0.584 1.839 -1.320 179 HD1 PHE 320 1HD PHE 320 -1.304 4.806 -0.248 180 HD2 PHE 320 2HD PHE 320 2.133 3.357 -2.298 181 HE1 PHE 320 1HE PHE 320 -0.353 7.075 -0.253 182 HE2 PHE 320 2HE PHE 320 3.090 5.624 -2.306 183 HZ PHE 320 HZ PHE 320 1.846 7.486 -1.281 184 H PHE 321 HN PHE 321 0.882 1.312 -3.512 185 HA PHE 321 HA PHE 321 -0.384 -1.134 -4.430 186 HB2 PHE 321 3HB PHE 321 1.142 0.103 -5.924 187 HB3 PHE 321 2HB PHE 321 2.458 -0.156 -4.776 188 HD1 PHE 321 2HD PHE 321 -0.107 -2.234 -6.524 189 HD2 PHE 321 1HD PHE 321 3.943 -1.817 -5.285 190 HE1 PHE 321 2HE PHE 321 0.440 -4.374 -7.605 191 HE2 PHE 321 1HE PHE 321 4.497 -3.958 -6.366 192 HZ PHE 321 HZ PHE 321 2.744 -5.240 -7.527 193 H HIS 322 HN HIS 322 -0.311 -3.007 -3.384 194 HA HIS 322 HA HIS 322 1.398 -3.233 -1.024 195 HB2 HIS 322 3HB HIS 322 -1.105 -4.565 -1.967 196 HB3 HIS 322 2HB HIS 322 -0.051 -5.455 -0.865 197 HD1 HIS 322 1HD HIS 322 0.005 -4.746 1.575 198 HD2 HIS 322 2HD HIS 322 -2.276 -2.226 -0.814 199 HE1 HIS 322 1HE HIS 322 -1.236 -3.249 3.170 200 HE2 HIS 322 2HE HIS 322 -2.631 -1.709 1.711 201 HA PRO 323 HA PRO 323 4.243 -6.067 -2.791 202 HB2 PRO 323 3HB PRO 323 4.778 -7.711 -0.667 203 HB3 PRO 323 2HB PRO 323 5.346 -6.045 -0.775 204 HG2 PRO 323 3HG PRO 323 2.947 -7.149 0.651 205 HG3 PRO 323 2HG PRO 323 4.172 -5.959 1.232 206 HD2 PRO 323 3HD PRO 323 1.716 -5.218 0.344 207 HD3 PRO 323 2HD PRO 323 3.160 -4.221 0.106 208 H GLU 324 HN GLU 324 1.503 -7.477 -1.063 209 HA GLU 324 HA GLU 324 1.715 -9.883 -2.740 210 HB2 GLU 324 3HB GLU 324 0.071 -9.472 -0.231 211 HB3 GLU 324 2HB GLU 324 0.309 -10.995 -1.103 212 HG2 GLU 324 3HG GLU 324 2.555 -11.167 -0.444 213 HG3 GLU 324 2HG GLU 324 2.609 -9.475 0.072 214 HE2 GLU 324 HE GLU 324 2.083 -11.809 2.915 215 H ARG 325 HN ARG 325 -0.274 -7.145 -1.976 216 HA ARG 325 HA ARG 325 -2.333 -8.131 -3.840 217 HB2 ARG 325 3HB ARG 325 -2.493 -6.437 -1.371 218 HB3 ARG 325 2HB ARG 325 -3.710 -6.248 -2.642 219 HG2 ARG 325 3HG ARG 325 -3.128 -9.002 -1.679 220 HG3 ARG 325 2HG ARG 325 -4.048 -7.916 -0.625 221 HD2 ARG 325 3HD ARG 325 -5.730 -8.956 -1.841 222 HD3 ARG 325 2HD ARG 325 -5.470 -7.455 -2.740 223 HE ARG 325 HE ARG 325 -3.851 -9.569 -3.748 224 HH11 ARG 325 2HH1 ARG 325 -7.086 -8.281 -3.758 225 HH12 ARG 325 1HH1 ARG 325 -7.490 -8.958 -5.300 226 HH21 ARG 325 2HH2 ARG 325 -4.372 -10.465 -5.780 227 HH22 ARG 325 1HH2 ARG 325 -5.947 -10.202 -6.450 228 HA PRO 326 HA PRO 326 -1.545 -4.813 -6.599 229 HB2 PRO 326 3HB PRO 326 -4.062 -4.172 -7.468 230 HB3 PRO 326 2HB PRO 326 -3.221 -5.652 -7.928 231 HG2 PRO 326 3HG PRO 326 -5.269 -5.217 -5.780 232 HG3 PRO 326 2HG PRO 326 -5.157 -6.542 -6.998 233 HD2 PRO 326 3HD PRO 326 -4.375 -6.854 -4.417 234 HD3 PRO 326 2HD PRO 326 -3.570 -7.672 -5.767 235 H SER 327 HN SER 327 -2.754 -2.556 -7.233 236 HA SER 327 HA SER 327 -2.812 -1.048 -4.710 237 HB2 SER 327 1HB SER 327 -1.036 -0.480 -6.389 238 HB3 SER 327 2HB SER 327 -2.324 0.019 -7.499 239 HG SER 327 HG SER 327 -1.279 1.675 -6.060 Start of MODEL 8 1 H1 SER 299 HN SER 299 9.601 12.919 -1.598 2 HA SER 299 HA SER 299 8.155 11.045 0.155 3 HB2 SER 299 1HB SER 299 6.032 12.066 -0.778 4 HB3 SER 299 2HB SER 299 6.968 13.115 0.300 5 HG SER 299 HG SER 299 6.361 14.267 -1.542 6 H GLU 300 HN GLU 300 7.171 9.312 -0.806 7 HA GLU 300 HA GLU 300 7.636 9.002 -3.700 8 HB2 GLU 300 3HB GLU 300 7.441 6.765 -1.675 9 HB3 GLU 300 2HB GLU 300 7.963 6.653 -3.363 10 HG2 GLU 300 3HG GLU 300 10.001 6.619 -2.375 11 HG3 GLU 300 2HG GLU 300 9.796 8.369 -2.530 12 HE2 GLU 300 HE GLU 300 9.079 6.999 1.128 13 H HIS 301 HN HIS 301 5.676 9.620 -4.495 14 HA HIS 301 HA HIS 301 3.206 8.723 -3.326 15 HB2 HIS 301 3HB HIS 301 3.237 10.892 -4.364 16 HB3 HIS 301 2HB HIS 301 3.827 10.211 -5.883 17 HD1 HIS 301 1HD HIS 301 1.204 8.140 -4.438 18 HD2 HIS 301 2HD HIS 301 1.400 11.459 -6.930 19 HE1 HIS 301 1HE HIS 301 -1.050 8.284 -5.544 20 HE2 HIS 301 2HE HIS 301 -0.931 10.312 -7.067 21 H ARG 302 HN ARG 302 4.947 8.063 -6.359 22 HA ARG 302 HA ARG 302 3.544 5.484 -6.497 23 HB2 ARG 302 3HB ARG 302 3.414 5.704 -8.953 24 HB3 ARG 302 2HB ARG 302 2.476 6.946 -8.112 25 HG2 ARG 302 3HG ARG 302 3.795 8.650 -8.821 26 HG3 ARG 302 2HG ARG 302 5.254 7.643 -8.842 27 HD2 ARG 302 3HD ARG 302 4.845 6.823 -10.954 28 HD3 ARG 302 2HD ARG 302 3.095 7.040 -10.799 29 HE ARG 302 HE ARG 302 4.346 9.561 -10.803 30 HH11 ARG 302 2HH1 ARG 302 3.632 6.897 -12.927 31 HH12 ARG 302 1HH1 ARG 302 3.579 7.879 -14.353 32 HH21 ARG 302 2HH2 ARG 302 4.279 10.864 -12.674 33 HH22 ARG 302 1HH2 ARG 302 3.947 10.135 -14.208 34 H LYS 303 HN LYS 303 6.128 6.027 -5.437 35 HA LYS 303 HA LYS 303 7.828 4.671 -7.426 36 HB2 LYS 303 3HB LYS 303 8.679 6.566 -5.224 37 HB3 LYS 303 2HB LYS 303 9.768 5.731 -6.343 38 HG2 LYS 303 3HG LYS 303 8.305 6.924 -8.173 39 HG3 LYS 303 2HG LYS 303 7.945 8.030 -6.835 40 HD2 LYS 303 3HD LYS 303 10.458 8.192 -6.468 41 HD3 LYS 303 2HD LYS 303 10.628 7.376 -8.032 42 HE2 LYS 303 3HE LYS 303 10.773 9.659 -8.558 43 HE3 LYS 303 2HE LYS 303 9.108 9.210 -8.961 44 HZ1 LYS 303 3HZ LYS 303 10.093 10.972 -6.873 45 HZ2 LYS 303 1HZ LYS 303 8.802 9.969 -6.434 46 HZ3 LYS 303 2HZ LYS 303 8.643 11.027 -7.744 47 H GLN 304 HN GLN 304 6.826 4.877 -4.072 48 HA GLN 304 HA GLN 304 8.207 2.328 -3.548 49 HB2 GLN 304 3HB GLN 304 7.690 4.732 -1.854 50 HB3 GLN 304 2HB GLN 304 7.717 3.145 -1.070 51 HG2 GLN 304 3HG GLN 304 9.968 3.737 -2.893 52 HG3 GLN 304 2HG GLN 304 9.890 4.673 -1.393 53 HE21 GLN 304 1HE2 GLN 304 10.700 1.706 -2.815 54 HE22 GLN 304 2HE2 GLN 304 11.106 0.849 -1.371 55 HA PRO 305 HA PRO 305 4.397 0.293 -2.795 56 HB2 PRO 305 3HB PRO 305 4.998 -1.321 -0.666 57 HB3 PRO 305 2HB PRO 305 5.611 -1.593 -2.296 58 HG2 PRO 305 3HG PRO 305 6.932 -0.239 0.032 59 HG3 PRO 305 2HG PRO 305 7.609 -1.456 -1.114 60 HD2 PRO 305 3HD PRO 305 8.130 1.201 -1.321 61 HD3 PRO 305 2HD PRO 305 7.994 0.139 -2.733 62 H CYS 306 HN CYS 306 3.003 -0.477 -0.735 63 HA CYS 306 HA CYS 306 1.808 1.770 0.328 64 HB2 CYS 306 3HB CYS 306 1.609 -1.091 0.674 65 HB3 CYS 306 2HB CYS 306 1.408 -0.274 2.225 66 HA PRO 307 HA PRO 307 4.236 3.195 3.693 67 HB2 PRO 307 3HB PRO 307 2.325 3.929 5.512 68 HB3 PRO 307 2HB PRO 307 2.643 4.817 4.023 69 HG2 PRO 307 3HG PRO 307 0.537 2.761 4.597 70 HG3 PRO 307 2HG PRO 307 0.381 4.349 3.756 71 HD2 PRO 307 3HD PRO 307 0.513 1.989 2.420 72 HD3 PRO 307 2HD PRO 307 1.200 3.492 1.779 73 H TYR 308 HN TYR 308 1.756 0.808 4.463 74 HA TYR 308 HA TYR 308 3.463 -0.164 6.661 75 HB2 TYR 308 3HB TYR 308 0.451 -0.170 6.396 76 HB3 TYR 308 2HB TYR 308 1.314 -1.121 7.607 77 HD1 TYR 308 1HD TYR 308 3.238 0.432 8.845 78 HD2 TYR 308 2HD TYR 308 -0.475 1.767 7.254 79 HE1 TYR 308 1HE TYR 308 3.285 2.362 10.370 80 HE2 TYR 308 2HE TYR 308 -0.438 3.700 8.773 81 HH TYR 308 HH TYR 308 1.432 3.919 11.424 82 H GLY 309 HN GLY 309 1.188 -1.113 4.109 83 HA2 GLY 309 2HA GLY 309 1.159 -2.981 2.765 84 HA3 GLY 309 3HA GLY 309 2.760 -3.371 3.377 85 H LYS 310 HN LYS 310 2.992 -4.853 5.002 86 HA LYS 310 HA LYS 310 0.887 -6.720 5.358 87 HB2 LYS 310 3HB LYS 310 2.447 -7.766 7.030 88 HB3 LYS 310 2HB LYS 310 3.131 -7.532 5.413 89 HG2 LYS 310 3HG LYS 310 4.396 -5.635 6.128 90 HG3 LYS 310 2HG LYS 310 3.583 -5.635 7.705 91 HD2 LYS 310 3HD LYS 310 4.534 -7.926 8.109 92 HD3 LYS 310 2HD LYS 310 5.485 -7.714 6.627 93 HE2 LYS 310 3HE LYS 310 5.579 -5.755 8.926 94 HE3 LYS 310 2HE LYS 310 6.656 -7.153 8.802 95 HZ1 LYS 310 3HZ LYS 310 6.604 -5.665 6.374 96 HZ2 LYS 310 1HZ LYS 310 7.925 -6.095 7.340 97 HZ3 LYS 310 2HZ LYS 310 7.052 -4.686 7.678 98 H LYS 311 HN LYS 311 2.128 -4.063 7.280 99 HA LYS 311 HA LYS 311 0.511 -4.737 9.580 100 HB2 LYS 311 3HB LYS 311 2.212 -2.317 8.938 101 HB3 LYS 311 2HB LYS 311 1.372 -2.569 10.477 102 HG2 LYS 311 3HG LYS 311 2.753 -4.336 11.103 103 HG3 LYS 311 2HG LYS 311 3.304 -4.605 9.440 104 HD2 LYS 311 3HD LYS 311 4.787 -2.834 9.485 105 HD3 LYS 311 2HD LYS 311 3.883 -1.987 10.752 106 HE2 LYS 311 3HE LYS 311 5.250 -4.612 11.308 107 HE3 LYS 311 2HE LYS 311 6.131 -3.078 11.374 108 HZ1 LYS 311 3HZ LYS 311 3.619 -3.453 12.881 109 HZ2 LYS 311 1HZ LYS 311 4.852 -2.324 13.144 110 HZ3 LYS 311 2HZ LYS 311 5.104 -3.954 13.518 111 H CYS 312 HN CYS 312 0.152 -2.941 6.687 112 HA CYS 312 HA CYS 312 -1.596 -0.917 7.360 113 HB2 CYS 312 3HB CYS 312 -0.584 -1.712 5.052 114 HB3 CYS 312 2HB CYS 312 -2.141 -2.528 4.900 115 H THR 313 HN THR 313 -3.795 -0.732 7.643 116 HA THR 313 HA THR 313 -5.137 -3.132 8.566 117 HB THR 313 HB THR 313 -7.000 -1.471 9.126 118 HG1 THR 313 1HG THR 313 -6.217 0.735 9.211 119 HG21 THR 313 3HG2 THR 313 -5.238 -0.330 10.862 120 HG22 THR 313 1HG2 THR 313 -4.345 -1.761 10.350 121 HG23 THR 313 2HG2 THR 313 -5.948 -1.931 11.065 122 H TYR 314 HN TYR 314 -5.402 -0.793 5.954 123 HA TYR 314 HA TYR 314 -7.910 -1.494 4.957 124 HB2 TYR 314 3HB TYR 314 -5.543 -0.692 3.253 125 HB3 TYR 314 2HB TYR 314 -7.255 -0.423 2.917 126 HD1 TYR 314 2HD TYR 314 -8.249 0.638 5.468 127 HD2 TYR 314 1HD TYR 314 -4.622 1.455 3.398 128 HE1 TYR 314 2HE TYR 314 -8.143 2.849 6.538 129 HE2 TYR 314 1HE TYR 314 -4.506 3.668 4.465 130 HH TYR 314 HH TYR 314 -5.435 4.706 6.657 131 H GLY 315 HN GLY 315 -4.719 -2.643 3.833 132 HA2 GLY 315 2HA GLY 315 -4.094 -4.702 3.005 133 HA3 GLY 315 3HA GLY 315 -5.658 -5.324 3.513 134 H ILE 316 HN ILE 316 -7.512 -4.853 2.105 135 HA ILE 316 HA ILE 316 -6.696 -5.027 -0.698 136 HB ILE 316 HB ILE 316 -9.437 -5.526 0.458 137 HG12 ILE 316 1HG1 ILE 316 -7.221 -7.494 -0.167 138 HG13 ILE 316 2HG1 ILE 316 -7.792 -7.059 1.452 139 HG21 ILE 316 1HG2 ILE 316 -9.819 -6.735 -1.633 140 HG22 ILE 316 2HG2 ILE 316 -9.409 -5.046 -1.930 141 HG23 ILE 316 3HG2 ILE 316 -8.199 -6.304 -2.178 142 HD11 ILE 316 3HD1 ILE 316 -8.796 -9.051 -0.332 143 HD12 ILE 316 1HD1 ILE 316 -9.235 -8.725 1.345 144 HD13 ILE 316 2HD1 ILE 316 -10.064 -7.881 0.037 145 H LYS 317 HN LYS 317 -8.338 -2.950 1.525 146 HA LYS 317 HA LYS 317 -9.387 -1.288 -0.646 147 HB2 LYS 317 3HB LYS 317 -10.608 -0.083 1.098 148 HB3 LYS 317 2HB LYS 317 -10.927 -1.823 1.183 149 HG2 LYS 317 3HG LYS 317 -9.120 -1.921 2.975 150 HG3 LYS 317 2HG LYS 317 -9.234 -0.153 3.012 151 HD2 LYS 317 3HD LYS 317 -11.838 -0.712 3.209 152 HD3 LYS 317 2HD LYS 317 -11.184 -2.201 3.913 153 HE2 LYS 317 3HE LYS 317 -11.506 -0.735 5.739 154 HE3 LYS 317 2HE LYS 317 -9.768 -0.719 5.405 155 HZ1 LYS 317 3HZ LYS 317 -10.930 1.501 5.782 156 HZ2 LYS 317 1HZ LYS 317 -11.560 1.308 4.223 157 HZ3 LYS 317 2HZ LYS 317 -9.886 1.384 4.456 158 H CYS 318 HN CYS 318 -6.536 -1.473 -0.122 159 HA CYS 318 HA CYS 318 -5.852 1.083 1.096 160 HB2 CYS 318 3HB CYS 318 -4.491 -0.917 1.595 161 HB3 CYS 318 2HB CYS 318 -4.067 -1.039 -0.115 162 H ARG 319 HN ARG 319 -4.997 2.820 0.017 163 HA ARG 319 HA ARG 319 -5.655 3.040 -2.768 164 HB2 ARG 319 3HB ARG 319 -5.704 4.838 -0.832 165 HB3 ARG 319 2HB ARG 319 -4.033 5.108 -1.351 166 HG2 ARG 319 3HG ARG 319 -6.186 5.071 -3.416 167 HG3 ARG 319 2HG ARG 319 -6.003 6.495 -2.377 168 HD2 ARG 319 3HD ARG 319 -3.561 5.364 -3.673 169 HD3 ARG 319 2HD ARG 319 -4.703 6.282 -4.666 170 HE ARG 319 HE ARG 319 -2.892 7.337 -2.738 171 HH11 ARG 319 2HH1 ARG 319 -6.020 7.814 -4.188 172 HH12 ARG 319 1HH1 ARG 319 -6.038 9.522 -3.899 173 HH21 ARG 319 2HH2 ARG 319 -2.904 9.585 -2.351 174 HH22 ARG 319 1HH2 ARG 319 -4.266 10.528 -2.854 175 H PHE 320 HN PHE 320 -2.676 2.922 -0.865 176 HA PHE 320 HA PHE 320 -0.937 3.300 -3.090 177 HB2 PHE 320 3HB PHE 320 -0.656 2.621 -0.217 178 HB3 PHE 320 2HB PHE 320 0.652 2.081 -1.271 179 HD1 PHE 320 1HD PHE 320 -1.190 5.061 -0.118 180 HD2 PHE 320 2HD PHE 320 2.243 3.582 -2.152 181 HE1 PHE 320 1HE PHE 320 -0.198 7.313 -0.072 182 HE2 PHE 320 2HE PHE 320 3.242 5.830 -2.109 183 HZ PHE 320 HZ PHE 320 2.022 7.699 -1.068 184 H PHE 321 HN PHE 321 0.842 1.543 -3.449 185 HA PHE 321 HA PHE 321 -0.568 -0.837 -4.345 186 HB2 PHE 321 3HB PHE 321 1.050 0.498 -5.790 187 HB3 PHE 321 2HB PHE 321 2.341 -0.170 -4.789 188 HD1 PHE 321 2HD PHE 321 -0.572 -1.301 -6.818 189 HD2 PHE 321 1HD PHE 321 3.357 -2.138 -5.411 190 HE1 PHE 321 2HE PHE 321 -0.506 -3.325 -8.215 191 HE2 PHE 321 1HE PHE 321 3.429 -4.163 -6.807 192 HZ PHE 321 HZ PHE 321 1.495 -4.760 -8.210 193 H HIS 322 HN HIS 322 -0.464 -2.762 -3.388 194 HA HIS 322 HA HIS 322 1.298 -3.065 -1.072 195 HB2 HIS 322 3HB HIS 322 -1.252 -4.348 -1.970 196 HB3 HIS 322 2HB HIS 322 -0.186 -5.248 -0.887 197 HD1 HIS 322 1HD HIS 322 -0.097 -4.552 1.551 198 HD2 HIS 322 2HD HIS 322 -2.355 -1.978 -0.802 199 HE1 HIS 322 1HE HIS 322 -1.289 -3.035 3.165 200 HE2 HIS 322 2HE HIS 322 -2.670 -1.462 1.729 201 HA PRO 323 HA PRO 323 4.026 -5.921 -2.983 202 HB2 PRO 323 3HB PRO 323 4.590 -7.617 -0.908 203 HB3 PRO 323 2HB PRO 323 5.190 -5.963 -1.002 204 HG2 PRO 323 3HG PRO 323 2.815 -7.043 0.478 205 HG3 PRO 323 2HG PRO 323 4.083 -5.891 1.041 206 HD2 PRO 323 3HD PRO 323 1.616 -5.082 0.246 207 HD3 PRO 323 2HD PRO 323 3.074 -4.110 -0.019 208 H GLU 324 HN GLU 324 1.306 -7.303 -1.200 209 HA GLU 324 HA GLU 324 1.416 -9.683 -2.925 210 HB2 GLU 324 3HB GLU 324 -0.266 -9.356 -0.440 211 HB3 GLU 324 2HB GLU 324 0.177 -10.855 -1.272 212 HG2 GLU 324 3HG GLU 324 2.626 -10.070 -0.679 213 HG3 GLU 324 2HG GLU 324 1.772 -9.178 0.589 214 HE2 GLU 324 HE GLU 324 1.028 -12.076 2.337 215 H ARG 325 HN ARG 325 -0.487 -6.916 -2.059 216 HA ARG 325 HA ARG 325 -2.629 -7.829 -3.863 217 HB2 ARG 325 3HB ARG 325 -2.671 -6.030 -1.447 218 HB3 ARG 325 2HB ARG 325 -3.973 -5.997 -2.646 219 HG2 ARG 325 3HG ARG 325 -3.253 -8.675 -1.644 220 HG3 ARG 325 2HG ARG 325 -3.973 -7.571 -0.461 221 HD2 ARG 325 3HD ARG 325 -5.960 -7.343 -1.683 222 HD3 ARG 325 2HD ARG 325 -5.206 -7.943 -3.167 223 HE ARG 325 HE ARG 325 -6.379 -9.512 -1.071 224 HH11 ARG 325 2HH1 ARG 325 -4.044 -9.496 -3.652 225 HH12 ARG 325 1HH1 ARG 325 -4.083 -11.215 -3.874 226 HH21 ARG 325 2HH2 ARG 325 -6.439 -11.775 -1.353 227 HH22 ARG 325 1HH2 ARG 325 -5.446 -12.509 -2.566 228 HA PRO 326 HA PRO 326 -1.797 -4.546 -6.653 229 HB2 PRO 326 3HB PRO 326 -4.313 -3.882 -7.506 230 HB3 PRO 326 2HB PRO 326 -3.492 -5.374 -7.964 231 HG2 PRO 326 3HG PRO 326 -5.518 -4.905 -5.803 232 HG3 PRO 326 2HG PRO 326 -5.431 -6.238 -7.013 233 HD2 PRO 326 3HD PRO 326 -4.632 -6.545 -4.437 234 HD3 PRO 326 2HD PRO 326 -3.846 -7.379 -5.788 235 H SER 327 HN SER 327 -2.942 -2.273 -7.288 236 HA SER 327 HA SER 327 -2.321 -0.499 -5.244 237 HB2 SER 327 1HB SER 327 -2.694 -0.143 -7.831 238 HB3 SER 327 2HB SER 327 -4.336 0.282 -7.318 239 HG SER 327 HG SER 327 -3.615 2.104 -6.565 Start of MODEL 9 1 H1 SER 299 HN SER 299 8.230 13.635 -3.931 2 HA SER 299 HA SER 299 6.159 12.208 -2.580 3 HB2 SER 299 1HB SER 299 6.072 12.834 -5.522 4 HB3 SER 299 2HB SER 299 4.760 12.862 -4.330 5 HG SER 299 HG SER 299 5.324 14.822 -3.715 6 H GLU 300 HN GLU 300 6.138 10.073 -2.385 7 HA GLU 300 HA GLU 300 6.977 8.450 -4.698 8 HB2 GLU 300 3HB GLU 300 7.537 6.679 -2.935 9 HB3 GLU 300 2HB GLU 300 8.642 8.054 -3.088 10 HG2 GLU 300 3HG GLU 300 8.309 7.590 -0.764 11 HG3 GLU 300 2HG GLU 300 7.523 9.124 -1.166 12 HE2 GLU 300 HE GLU 300 5.157 6.043 -0.317 13 H HIS 301 HN HIS 301 4.344 9.384 -4.273 14 HA HIS 301 HA HIS 301 2.624 7.680 -2.925 15 HB2 HIS 301 3HB HIS 301 2.321 9.392 -5.374 16 HB3 HIS 301 2HB HIS 301 0.991 8.356 -4.852 17 HD1 HIS 301 1HD HIS 301 -0.483 10.402 -4.270 18 HD2 HIS 301 2HD HIS 301 3.050 10.173 -2.095 19 HE1 HIS 301 1HE HIS 301 -0.743 12.052 -2.390 20 HE2 HIS 301 2HE HIS 301 1.416 11.914 -1.061 21 H ARG 302 HN ARG 302 4.017 7.364 -6.154 22 HA ARG 302 HA ARG 302 2.904 4.638 -6.291 23 HB2 ARG 302 3HB ARG 302 2.997 4.807 -8.721 24 HB3 ARG 302 2HB ARG 302 2.019 6.116 -8.040 25 HG2 ARG 302 3HG ARG 302 4.906 6.641 -8.554 26 HG3 ARG 302 2HG ARG 302 3.794 6.564 -9.930 27 HD2 ARG 302 3HD ARG 302 2.898 8.183 -7.614 28 HD3 ARG 302 2HD ARG 302 4.270 8.812 -8.537 29 HE ARG 302 HE ARG 302 1.549 8.772 -9.356 30 HH11 ARG 302 2HH1 ARG 302 4.811 8.504 -10.542 31 HH12 ARG 302 1HH1 ARG 302 4.420 9.076 -12.130 32 HH21 ARG 302 2HH2 ARG 302 1.021 9.526 -11.443 33 HH22 ARG 302 1HH2 ARG 302 2.264 9.658 -12.642 34 H LYS 303 HN LYS 303 5.720 6.525 -6.115 35 HA LYS 303 HA LYS 303 7.546 4.851 -7.484 36 HB2 LYS 303 3HB LYS 303 8.078 6.713 -5.155 37 HB3 LYS 303 2HB LYS 303 9.282 6.079 -6.288 38 HG2 LYS 303 3HG LYS 303 7.704 7.231 -8.073 39 HG3 LYS 303 2HG LYS 303 7.263 8.220 -6.669 40 HD2 LYS 303 3HD LYS 303 9.591 8.818 -6.303 41 HD3 LYS 303 2HD LYS 303 10.085 7.761 -7.639 42 HE2 LYS 303 3HE LYS 303 10.070 9.953 -8.534 43 HE3 LYS 303 2HE LYS 303 8.602 9.166 -9.133 44 HZ1 LYS 303 3HZ LYS 303 8.081 11.371 -8.388 45 HZ2 LYS 303 1HZ LYS 303 8.772 11.081 -6.870 46 HZ3 LYS 303 2HZ LYS 303 7.365 10.263 -7.329 47 H GLN 304 HN GLN 304 6.793 5.157 -4.013 48 HA GLN 304 HA GLN 304 8.146 2.597 -3.548 49 HB2 GLN 304 3HB GLN 304 7.516 4.974 -1.861 50 HB3 GLN 304 2HB GLN 304 7.597 3.392 -1.068 51 HG2 GLN 304 3HG GLN 304 9.873 3.352 -2.562 52 HG3 GLN 304 2HG GLN 304 9.738 5.068 -2.150 53 HE21 GLN 304 1HE2 GLN 304 11.221 5.344 -0.616 54 HE22 GLN 304 2HE2 GLN 304 11.312 4.448 0.857 55 HA PRO 305 HA PRO 305 4.449 0.359 -2.797 56 HB2 PRO 305 3HB PRO 305 5.135 -1.223 -0.669 57 HB3 PRO 305 2HB PRO 305 5.762 -1.460 -2.301 58 HG2 PRO 305 3HG PRO 305 7.009 -0.040 0.028 59 HG3 PRO 305 2HG PRO 305 7.750 -1.218 -1.119 60 HD2 PRO 305 3HD PRO 305 8.129 1.462 -1.322 61 HD3 PRO 305 2HD PRO 305 8.050 0.398 -2.735 62 H CYS 306 HN CYS 306 3.095 -0.484 -0.742 63 HA CYS 306 HA CYS 306 1.783 1.694 0.326 64 HB2 CYS 306 3HB CYS 306 1.734 -1.173 0.663 65 HB3 CYS 306 2HB CYS 306 1.495 -0.374 2.219 66 HA PRO 307 HA PRO 307 4.136 3.241 3.691 67 HB2 PRO 307 3HB PRO 307 2.189 3.877 5.509 68 HB3 PRO 307 2HB PRO 307 2.462 4.780 4.020 69 HG2 PRO 307 3HG PRO 307 0.462 2.620 4.592 70 HG3 PRO 307 2HG PRO 307 0.227 4.198 3.751 71 HD2 PRO 307 3HD PRO 307 0.479 1.848 2.414 72 HD3 PRO 307 2HD PRO 307 1.090 3.384 1.775 73 H TYR 308 HN TYR 308 1.762 0.749 4.481 74 HA TYR 308 HA TYR 308 3.529 -0.152 6.661 75 HB2 TYR 308 3HB TYR 308 0.519 -0.181 6.436 76 HB3 TYR 308 2HB TYR 308 1.378 -1.222 7.573 77 HD1 TYR 308 2HD TYR 308 3.007 -0.071 9.227 78 HD2 TYR 308 1HD TYR 308 -0.037 1.997 7.091 79 HE1 TYR 308 2HE TYR 308 3.096 1.752 10.876 80 HE2 TYR 308 1HE TYR 308 0.044 3.825 8.734 81 HH TYR 308 HH TYR 308 1.321 3.599 11.677 82 H GLY 309 HN GLY 309 1.260 -1.190 4.140 83 HA2 GLY 309 2HA GLY 309 1.303 -3.055 2.788 84 HA3 GLY 309 3HA GLY 309 2.909 -3.401 3.413 85 H LYS 310 HN LYS 310 3.166 -4.955 4.934 86 HA LYS 310 HA LYS 310 1.097 -6.837 5.316 87 HB2 LYS 310 3HB LYS 310 2.683 -7.857 6.989 88 HB3 LYS 310 2HB LYS 310 3.347 -7.617 5.364 89 HG2 LYS 310 3HG LYS 310 4.624 -5.739 6.049 90 HG3 LYS 310 2HG LYS 310 3.784 -5.667 7.608 91 HD2 LYS 310 3HD LYS 310 4.994 -7.372 8.510 92 HD3 LYS 310 2HD LYS 310 5.160 -8.208 6.956 93 HE2 LYS 310 3HE LYS 310 7.336 -7.450 7.539 94 HE3 LYS 310 2HE LYS 310 6.746 -6.376 6.261 95 HZ1 LYS 310 3HZ LYS 310 6.325 -5.625 9.072 96 HZ2 LYS 310 1HZ LYS 310 6.486 -4.634 7.710 97 HZ3 LYS 310 2HZ LYS 310 7.847 -5.389 8.373 98 H LYS 311 HN LYS 311 2.308 -4.185 7.270 99 HA LYS 311 HA LYS 311 0.692 -4.903 9.557 100 HB2 LYS 311 3HB LYS 311 2.457 -2.536 8.919 101 HB3 LYS 311 2HB LYS 311 1.505 -2.646 10.409 102 HG2 LYS 311 3HG LYS 311 2.727 -4.508 11.189 103 HG3 LYS 311 2HG LYS 311 3.474 -4.765 9.603 104 HD2 LYS 311 3HD LYS 311 4.991 -3.072 9.871 105 HD3 LYS 311 2HD LYS 311 3.912 -2.138 10.924 106 HE2 LYS 311 3HE LYS 311 5.978 -3.184 12.010 107 HE3 LYS 311 2HE LYS 311 4.416 -3.449 12.802 108 HZ1 LYS 311 3HZ LYS 311 5.381 -5.425 10.852 109 HZ2 LYS 311 1HZ LYS 311 4.369 -5.643 12.191 110 HZ3 LYS 311 2HZ LYS 311 6.031 -5.425 12.414 111 H CYS 312 HN CYS 312 0.280 -3.141 6.670 112 HA CYS 312 HA CYS 312 -1.459 -1.107 7.337 113 HB2 CYS 312 3HB CYS 312 -0.490 -1.929 5.026 114 HB3 CYS 312 2HB CYS 312 -2.034 -2.776 4.920 115 H THR 313 HN THR 313 -3.800 -0.971 7.153 116 HA THR 313 HA THR 313 -5.104 -3.413 8.162 117 HB THR 313 HB THR 313 -6.822 -1.852 9.120 118 HG1 THR 313 1HG THR 313 -6.541 0.032 8.024 119 HG21 THR 313 3HG2 THR 313 -5.682 -1.999 11.032 120 HG22 THR 313 1HG2 THR 313 -4.482 -0.836 10.474 121 HG23 THR 313 2HG2 THR 313 -4.296 -2.547 10.090 122 H TYR 314 HN TYR 314 -5.244 -0.854 5.797 123 HA TYR 314 HA TYR 314 -7.864 -1.177 4.881 124 HB2 TYR 314 3HB TYR 314 -5.496 -0.493 3.131 125 HB3 TYR 314 2HB TYR 314 -7.179 -0.007 2.910 126 HD1 TYR 314 1HD TYR 314 -8.093 1.125 5.312 127 HD2 TYR 314 2HD TYR 314 -4.169 1.321 3.679 128 HE1 TYR 314 1HE TYR 314 -7.686 3.207 6.557 129 HE2 TYR 314 2HE TYR 314 -3.751 3.403 4.919 130 HH TYR 314 HH TYR 314 -5.063 5.244 5.920 131 H GLY 315 HN GLY 315 -4.871 -2.554 3.500 132 HA2 GLY 315 2HA GLY 315 -4.512 -4.589 2.477 133 HA3 GLY 315 3HA GLY 315 -6.109 -5.086 3.016 134 H ILE 316 HN ILE 316 -7.964 -4.301 1.755 135 HA ILE 316 HA ILE 316 -7.297 -4.308 -1.096 136 HB ILE 316 HB ILE 316 -9.979 -4.705 0.235 137 HG12 ILE 316 1HG1 ILE 316 -8.143 -6.753 -1.032 138 HG13 ILE 316 2HG1 ILE 316 -8.284 -6.486 0.714 139 HG21 ILE 316 1HG2 ILE 316 -9.139 -4.383 -2.540 140 HG22 ILE 316 2HG2 ILE 316 -10.093 -5.838 -2.259 141 HG23 ILE 316 3HG2 ILE 316 -10.743 -4.259 -1.818 142 HD11 ILE 316 3HD1 ILE 316 -9.962 -7.916 0.788 143 HD12 ILE 316 1HD1 ILE 316 -10.899 -6.865 -0.272 144 HD13 ILE 316 2HD1 ILE 316 -9.881 -8.131 -0.961 145 H LYS 317 HN LYS 317 -8.593 -2.284 1.384 146 HA LYS 317 HA LYS 317 -9.580 -0.344 -0.578 147 HB2 LYS 317 3HB LYS 317 -10.609 0.805 1.306 148 HB3 LYS 317 2HB LYS 317 -11.060 -0.908 1.307 149 HG2 LYS 317 3HG LYS 317 -9.202 -1.278 2.984 150 HG3 LYS 317 2HG LYS 317 -9.106 0.488 3.112 151 HD2 LYS 317 3HD LYS 317 -11.703 -0.997 3.487 152 HD3 LYS 317 2HD LYS 317 -10.564 -0.735 4.819 153 HE2 LYS 317 3HE LYS 317 -10.777 1.622 4.689 154 HE3 LYS 317 2HE LYS 317 -11.584 1.524 3.118 155 HZ1 LYS 317 3HZ LYS 317 -12.855 1.776 5.468 156 HZ2 LYS 317 1HZ LYS 317 -12.936 0.101 5.234 157 HZ3 LYS 317 2HZ LYS 317 -13.560 1.149 4.064 158 H CYS 318 HN CYS 318 -6.708 -0.931 -0.032 159 HA CYS 318 HA CYS 318 -5.718 1.441 1.295 160 HB2 CYS 318 3HB CYS 318 -4.618 -0.846 1.393 161 HB3 CYS 318 2HB CYS 318 -4.117 -0.579 -0.278 162 H ARG 319 HN ARG 319 -4.650 3.155 0.337 163 HA ARG 319 HA ARG 319 -5.263 3.546 -2.495 164 HB2 ARG 319 3HB ARG 319 -4.305 5.511 -0.398 165 HB3 ARG 319 2HB ARG 319 -4.762 5.918 -2.059 166 HG2 ARG 319 3HG ARG 319 -6.711 4.551 -0.237 167 HG3 ARG 319 2HG ARG 319 -6.465 6.304 -0.167 168 HD2 ARG 319 3HD ARG 319 -6.931 6.406 -2.627 169 HD3 ARG 319 2HD ARG 319 -7.345 4.688 -2.554 170 HE ARG 319 HE ARG 319 -8.920 5.823 -0.645 171 HH11 ARG 319 2HH1 ARG 319 -8.391 6.396 -4.038 172 HH12 ARG 319 1HH1 ARG 319 -10.000 6.971 -4.325 173 HH21 ARG 319 2HH2 ARG 319 -11.042 6.578 -1.010 174 HH22 ARG 319 1HH2 ARG 319 -11.506 7.074 -2.602 175 H PHE 320 HN PHE 320 -3.063 1.824 -1.587 176 HA PHE 320 HA PHE 320 -0.946 3.082 -3.153 177 HB2 PHE 320 3HB PHE 320 -0.788 2.382 -0.272 178 HB3 PHE 320 2HB PHE 320 0.596 1.920 -1.266 179 HD1 PHE 320 1HD PHE 320 -1.507 4.826 -0.333 180 HD2 PHE 320 2HD PHE 320 2.220 3.475 -1.882 181 HE1 PHE 320 1HE PHE 320 -0.628 7.122 -0.209 182 HE2 PHE 320 2HE PHE 320 3.106 5.768 -1.759 183 HZ PHE 320 HZ PHE 320 1.682 7.594 -0.922 184 H PHE 321 HN PHE 321 0.917 1.395 -3.422 185 HA PHE 321 HA PHE 321 -0.357 -1.041 -4.381 186 HB2 PHE 321 3HB PHE 321 1.165 0.273 -5.854 187 HB3 PHE 321 2HB PHE 321 2.493 -0.096 -4.751 188 HD1 PHE 321 2HD PHE 321 3.419 -2.336 -4.587 189 HD2 PHE 321 1HD PHE 321 0.293 -1.431 -7.330 190 HE1 PHE 321 2HE PHE 321 3.866 -4.439 -5.785 191 HE2 PHE 321 1HE PHE 321 0.733 -3.532 -8.531 192 HZ PHE 321 HZ PHE 321 2.522 -5.039 -7.760 193 H HIS 322 HN HIS 322 -0.256 -2.920 -3.348 194 HA HIS 322 HA HIS 322 1.470 -3.151 -1.006 195 HB2 HIS 322 3HB HIS 322 -0.994 -4.540 -1.976 196 HB3 HIS 322 2HB HIS 322 0.079 -5.406 -0.873 197 HD1 HIS 322 1HD HIS 322 0.058 -4.746 1.572 198 HD2 HIS 322 2HD HIS 322 -2.201 -2.208 -0.818 199 HE1 HIS 322 1HE HIS 322 -1.228 -3.288 3.168 200 HE2 HIS 322 2HE HIS 322 -2.609 -1.736 1.708 201 HA PRO 323 HA PRO 323 4.386 -5.885 -2.813 202 HB2 PRO 323 3HB PRO 323 4.956 -7.551 -0.715 203 HB3 PRO 323 2HB PRO 323 5.483 -5.870 -0.794 204 HG2 PRO 323 3HG PRO 323 3.112 -7.055 0.608 205 HG3 PRO 323 2HG PRO 323 4.306 -5.846 1.211 206 HD2 PRO 323 3HD PRO 323 1.834 -5.150 0.331 207 HD3 PRO 323 2HD PRO 323 3.254 -4.115 0.111 208 H GLU 324 HN GLU 324 1.673 -7.386 -1.120 209 HA GLU 324 HA GLU 324 1.949 -9.760 -2.832 210 HB2 GLU 324 3HB GLU 324 0.314 -9.410 -0.306 211 HB3 GLU 324 2HB GLU 324 0.527 -10.914 -1.216 212 HG2 GLU 324 3HG GLU 324 2.770 -11.133 -0.584 213 HG3 GLU 324 2HG GLU 324 2.866 -9.445 -0.057 214 HE2 GLU 324 HE GLU 324 1.870 -10.262 3.114 215 H ARG 325 HN ARG 325 -0.107 -7.082 -2.035 216 HA ARG 325 HA ARG 325 -2.132 -8.086 -3.926 217 HB2 ARG 325 3HB ARG 325 -2.347 -6.441 -1.429 218 HB3 ARG 325 2HB ARG 325 -3.563 -6.260 -2.703 219 HG2 ARG 325 3HG ARG 325 -2.913 -9.013 -1.778 220 HG3 ARG 325 2HG ARG 325 -3.876 -7.969 -0.721 221 HD2 ARG 325 3HD ARG 325 -4.515 -8.661 -3.598 222 HD3 ARG 325 2HD ARG 325 -5.308 -9.322 -2.161 223 HE ARG 325 HE ARG 325 -5.535 -6.551 -2.030 224 HH11 ARG 325 2HH1 ARG 325 -6.617 -9.169 -4.055 225 HH12 ARG 325 1HH1 ARG 325 -8.073 -8.365 -4.540 226 HH21 ARG 325 2HH2 ARG 325 -7.449 -5.483 -2.660 227 HH22 ARG 325 1HH2 ARG 325 -8.545 -6.268 -3.746 228 HA PRO 326 HA PRO 326 -1.412 -4.699 -6.621 229 HB2 PRO 326 3HB PRO 326 -3.939 -4.105 -7.493 230 HB3 PRO 326 2HB PRO 326 -3.060 -5.556 -7.974 231 HG2 PRO 326 3HG PRO 326 -5.129 -5.210 -5.832 232 HG3 PRO 326 2HG PRO 326 -4.978 -6.510 -7.072 233 HD2 PRO 326 3HD PRO 326 -4.202 -6.849 -4.492 234 HD3 PRO 326 2HD PRO 326 -3.371 -7.623 -5.852 235 H SER 327 HN SER 327 -2.674 -2.462 -7.221 236 HA SER 327 HA SER 327 -2.860 -1.020 -4.660 237 HB2 SER 327 1HB SER 327 -0.957 -0.405 -6.172 238 HB3 SER 327 2HB SER 327 -2.151 0.121 -7.373 239 HG SER 327 HG SER 327 -2.017 1.954 -6.346 Start of MODEL 10 1 H1 SER 299 HN SER 299 10.690 13.259 -2.853 2 HA SER 299 HA SER 299 9.982 11.050 -1.281 3 HB2 SER 299 1HB SER 299 8.965 13.443 -1.369 4 HB3 SER 299 2HB SER 299 7.925 12.775 -2.639 5 HG SER 299 HG SER 299 7.050 12.629 -0.473 6 H GLU 300 HN GLU 300 8.015 9.666 -1.697 7 HA GLU 300 HA GLU 300 7.919 8.796 -4.508 8 HB2 GLU 300 3HB GLU 300 8.210 7.132 -2.011 9 HB3 GLU 300 2HB GLU 300 7.593 6.449 -3.524 10 HG2 GLU 300 3HG GLU 300 9.850 5.915 -3.573 11 HG3 GLU 300 2HG GLU 300 9.735 7.360 -4.589 12 HE2 GLU 300 HE GLU 300 12.290 8.602 -2.655 13 H HIS 301 HN HIS 301 5.968 9.794 -4.929 14 HA HIS 301 HA HIS 301 3.702 9.563 -3.214 15 HB2 HIS 301 3HB HIS 301 3.997 10.421 -6.099 16 HB3 HIS 301 2HB HIS 301 2.460 10.458 -5.230 17 HD1 HIS 301 1HD HIS 301 1.949 12.770 -4.556 18 HD2 HIS 301 2HD HIS 301 6.003 11.933 -4.205 19 HE1 HIS 301 1HE HIS 301 2.990 14.863 -3.626 20 HE2 HIS 301 2HE HIS 301 5.468 14.351 -3.412 21 H ARG 302 HN ARG 302 4.540 8.074 -6.339 22 HA ARG 302 HA ARG 302 2.805 5.813 -5.630 23 HB2 ARG 302 3HB ARG 302 1.968 5.674 -7.915 24 HB3 ARG 302 2HB ARG 302 1.575 7.246 -7.202 25 HG2 ARG 302 3HG ARG 302 2.970 8.403 -8.590 26 HG3 ARG 302 2HG ARG 302 4.071 7.030 -8.794 27 HD2 ARG 302 3HD ARG 302 2.883 7.457 -10.873 28 HD3 ARG 302 2HD ARG 302 2.396 5.899 -10.188 29 HE ARG 302 HE ARG 302 0.666 8.043 -9.402 30 HH11 ARG 302 2HH1 ARG 302 1.371 5.745 -11.920 31 HH12 ARG 302 1HH1 ARG 302 -0.243 5.740 -12.549 32 HH21 ARG 302 2HH2 ARG 302 -1.464 8.045 -10.220 33 HH22 ARG 302 1HH2 ARG 302 -1.855 7.049 -11.581 34 H LYS 303 HN LYS 303 5.742 6.320 -5.612 35 HA LYS 303 HA LYS 303 6.646 4.411 -7.649 36 HB2 LYS 303 3HB LYS 303 8.262 6.185 -5.799 37 HB3 LYS 303 2HB LYS 303 8.910 5.168 -7.096 38 HG2 LYS 303 3HG LYS 303 7.143 6.630 -8.508 39 HG3 LYS 303 2HG LYS 303 7.572 7.786 -7.234 40 HD2 LYS 303 3HD LYS 303 9.995 7.319 -7.751 41 HD3 LYS 303 2HD LYS 303 9.433 6.405 -9.162 42 HE2 LYS 303 3HE LYS 303 8.671 9.285 -8.655 43 HE3 LYS 303 2HE LYS 303 10.094 8.805 -9.590 44 HZ1 LYS 303 3HZ LYS 303 8.785 7.860 -11.247 45 HZ2 LYS 303 1HZ LYS 303 7.952 9.278 -10.852 46 HZ3 LYS 303 2HZ LYS 303 7.405 7.788 -10.271 47 H GLN 304 HN GLN 304 6.514 4.933 -4.171 48 HA GLN 304 HA GLN 304 7.791 2.358 -3.671 49 HB2 GLN 304 3HB GLN 304 7.396 4.829 -2.177 50 HB3 GLN 304 2HB GLN 304 6.989 3.394 -1.223 51 HG2 GLN 304 3HG GLN 304 9.124 2.693 -1.085 52 HG3 GLN 304 2HG GLN 304 9.516 3.244 -2.720 53 HE21 GLN 304 1HE2 GLN 304 8.214 5.033 0.038 54 HE22 GLN 304 2HE2 GLN 304 9.511 6.170 0.139 55 HA PRO 305 HA PRO 305 4.122 0.088 -2.885 56 HB2 PRO 305 3HB PRO 305 4.821 -1.439 -0.721 57 HB3 PRO 305 2HB PRO 305 5.457 -1.703 -2.345 58 HG2 PRO 305 3HG PRO 305 6.675 -0.217 -0.041 59 HG3 PRO 305 2HG PRO 305 7.437 -1.409 -1.160 60 HD2 PRO 305 3HD PRO 305 7.782 1.271 -1.419 61 HD3 PRO 305 2HD PRO 305 7.722 0.175 -2.810 62 H CYS 306 HN CYS 306 2.834 -0.765 -0.749 63 HA CYS 306 HA CYS 306 1.436 1.402 0.236 64 HB2 CYS 306 3HB CYS 306 1.515 -1.446 0.698 65 HB3 CYS 306 2HB CYS 306 1.271 -0.593 2.223 66 HA PRO 307 HA PRO 307 3.768 3.205 3.485 67 HB2 PRO 307 3HB PRO 307 1.815 3.861 5.290 68 HB3 PRO 307 2HB PRO 307 2.042 4.697 3.754 69 HG2 PRO 307 3HG PRO 307 0.127 2.498 4.457 70 HG3 PRO 307 2HG PRO 307 -0.173 4.020 3.539 71 HD2 PRO 307 3HD PRO 307 0.153 1.617 2.321 72 HD3 PRO 307 2HD PRO 307 0.702 3.139 1.597 73 H TYR 308 HN TYR 308 1.495 0.672 4.425 74 HA TYR 308 HA TYR 308 3.314 -0.051 6.629 75 HB2 TYR 308 3HB TYR 308 0.306 -0.213 6.438 76 HB3 TYR 308 2HB TYR 308 1.218 -1.150 7.624 77 HD1 TYR 308 2HD TYR 308 3.108 0.425 8.861 78 HD2 TYR 308 1HD TYR 308 -0.635 1.714 7.303 79 HE1 TYR 308 2HE TYR 308 3.135 2.342 10.401 80 HE2 TYR 308 1HE TYR 308 -0.618 3.636 8.837 81 HH TYR 308 HH TYR 308 1.202 3.867 11.476 82 H GLY 309 HN GLY 309 1.154 -1.254 4.102 83 HA2 GLY 309 2HA GLY 309 1.211 -3.201 2.884 84 HA3 GLY 309 3HA GLY 309 2.845 -3.442 3.487 85 H LYS 310 HN LYS 310 3.182 -5.097 4.817 86 HA LYS 310 HA LYS 310 1.250 -7.000 5.398 87 HB2 LYS 310 3HB LYS 310 2.907 -7.788 7.170 88 HB3 LYS 310 2HB LYS 310 3.502 -7.688 5.506 89 HG2 LYS 310 3HG LYS 310 4.704 -5.689 5.947 90 HG3 LYS 310 2HG LYS 310 3.922 -5.504 7.526 91 HD2 LYS 310 3HD LYS 310 5.030 -7.503 8.357 92 HD3 LYS 310 2HD LYS 310 5.755 -7.777 6.764 93 HE2 LYS 310 3HE LYS 310 7.155 -5.886 6.939 94 HE3 LYS 310 2HE LYS 310 6.214 -5.231 8.289 95 HZ1 LYS 310 3HZ LYS 310 8.086 -6.107 9.301 96 HZ2 LYS 310 1HZ LYS 310 8.132 -7.472 8.302 97 HZ3 LYS 310 2HZ LYS 310 6.952 -7.344 9.507 98 H LYS 311 HN LYS 311 2.157 -4.125 7.152 99 HA LYS 311 HA LYS 311 0.616 -4.876 9.496 100 HB2 LYS 311 3HB LYS 311 2.256 -2.455 8.755 101 HB3 LYS 311 2HB LYS 311 1.254 -2.499 10.214 102 HG2 LYS 311 3HG LYS 311 2.544 -4.168 11.216 103 HG3 LYS 311 2HG LYS 311 3.298 -4.622 9.676 104 HD2 LYS 311 3HD LYS 311 4.654 -2.694 9.632 105 HD3 LYS 311 2HD LYS 311 3.687 -1.898 10.887 106 HE2 LYS 311 3HE LYS 311 4.561 -3.239 12.600 107 HE3 LYS 311 2HE LYS 311 5.144 -4.457 11.455 108 HZ1 LYS 311 3HZ LYS 311 6.276 -1.803 11.140 109 HZ2 LYS 311 1HZ LYS 311 7.025 -3.318 11.059 110 HZ3 LYS 311 2HZ LYS 311 6.707 -2.612 12.562 111 H CYS 312 HN CYS 312 0.239 -3.031 6.591 112 HA CYS 312 HA CYS 312 -1.751 -1.235 7.244 113 HB2 CYS 312 3HB CYS 312 -0.553 -1.595 5.006 114 HB3 CYS 312 2HB CYS 312 -1.780 -2.820 4.680 115 H THR 313 HN THR 313 -3.874 -1.335 7.698 116 HA THR 313 HA THR 313 -5.068 -3.999 7.944 117 HB THR 313 HB THR 313 -6.859 -2.719 9.245 118 HG1 THR 313 1HG THR 313 -4.854 -0.720 9.444 119 HG21 THR 313 3HG2 THR 313 -4.016 -3.070 10.116 120 HG22 THR 313 1HG2 THR 313 -5.448 -3.990 10.577 121 HG23 THR 313 2HG2 THR 313 -5.197 -2.367 11.220 122 H TYR 314 HN TYR 314 -5.304 -1.074 6.131 123 HA TYR 314 HA TYR 314 -7.949 -1.091 5.301 124 HB2 TYR 314 3HB TYR 314 -5.506 -0.346 3.671 125 HB3 TYR 314 2HB TYR 314 -7.167 0.126 3.308 126 HD1 TYR 314 2HD TYR 314 -8.240 0.930 5.890 127 HD2 TYR 314 1HD TYR 314 -4.382 1.619 4.235 128 HE1 TYR 314 2HE TYR 314 -8.007 2.940 7.288 129 HE2 TYR 314 1HE TYR 314 -4.136 3.630 5.630 130 HH TYR 314 HH TYR 314 -5.093 4.968 7.116 131 H GLY 315 HN GLY 315 -5.167 -2.558 3.608 132 HA2 GLY 315 2HA GLY 315 -5.074 -4.545 2.419 133 HA3 GLY 315 3HA GLY 315 -6.756 -4.834 2.835 134 H ILE 316 HN ILE 316 -8.375 -3.497 1.649 135 HA ILE 316 HA ILE 316 -7.597 -3.359 -1.170 136 HB ILE 316 HB ILE 316 -10.368 -3.272 0.026 137 HG12 ILE 316 1HG1 ILE 316 -8.869 -5.571 -1.259 138 HG13 ILE 316 2HG1 ILE 316 -9.225 -5.414 0.470 139 HG21 ILE 316 1HG2 ILE 316 -9.445 -3.677 -2.816 140 HG22 ILE 316 2HG2 ILE 316 -11.115 -3.745 -2.254 141 HG23 ILE 316 3HG2 ILE 316 -10.218 -2.229 -2.172 142 HD11 ILE 316 3HD1 ILE 316 -10.852 -6.879 -0.297 143 HD12 ILE 316 1HD1 ILE 316 -11.684 -5.326 -0.232 144 HD13 ILE 316 2HD1 ILE 316 -11.119 -5.960 -1.779 145 H LYS 317 HN LYS 317 -8.778 -1.388 1.458 146 HA LYS 317 HA LYS 317 -9.086 0.921 -0.312 147 HB2 LYS 317 3HB LYS 317 -10.062 2.051 1.635 148 HB3 LYS 317 2HB LYS 317 -10.881 0.518 1.295 149 HG2 LYS 317 3HG LYS 317 -9.452 -0.542 3.071 150 HG3 LYS 317 2HG LYS 317 -8.908 1.093 3.490 151 HD2 LYS 317 3HD LYS 317 -11.796 0.190 3.468 152 HD3 LYS 317 2HD LYS 317 -10.773 0.291 4.913 153 HE2 LYS 317 3HE LYS 317 -11.480 2.607 3.092 154 HE3 LYS 317 2HE LYS 317 -12.212 2.265 4.666 155 HZ1 LYS 317 3HZ LYS 317 -10.610 3.799 5.203 156 HZ2 LYS 317 1HZ LYS 317 -9.502 3.230 4.057 157 HZ3 LYS 317 2HZ LYS 317 -9.769 2.358 5.481 158 H CYS 318 HN CYS 318 -6.474 -0.313 0.445 159 HA CYS 318 HA CYS 318 -5.167 1.462 2.253 160 HB2 CYS 318 3HB CYS 318 -4.282 -0.754 1.947 161 HB3 CYS 318 2HB CYS 318 -4.101 -0.495 0.210 162 H ARG 319 HN ARG 319 -5.884 1.527 -1.131 163 HA ARG 319 HA ARG 319 -5.557 3.098 -2.743 164 HB2 ARG 319 3HB ARG 319 -4.583 4.927 -0.543 165 HB3 ARG 319 2HB ARG 319 -5.291 5.385 -2.100 166 HG2 ARG 319 3HG ARG 319 -7.436 4.348 -1.378 167 HG3 ARG 319 2HG ARG 319 -6.707 4.084 0.215 168 HD2 ARG 319 3HD ARG 319 -6.979 6.785 -1.121 169 HD3 ARG 319 2HD ARG 319 -8.096 6.137 0.087 170 HE ARG 319 HE ARG 319 -5.413 6.116 1.038 171 HH11 ARG 319 2HH1 ARG 319 -8.158 8.185 0.485 172 HH12 ARG 319 1HH1 ARG 319 -7.715 9.321 1.716 173 HH21 ARG 319 2HH2 ARG 319 -4.819 7.603 2.661 174 HH22 ARG 319 1HH2 ARG 319 -5.814 8.990 2.952 175 H PHE 320 HN PHE 320 -3.402 1.289 -1.910 176 HA PHE 320 HA PHE 320 -1.245 2.621 -3.317 177 HB2 PHE 320 3HB PHE 320 -1.148 1.920 -0.423 178 HB3 PHE 320 2HB PHE 320 0.293 1.581 -1.385 179 HD1 PHE 320 2HD PHE 320 1.339 3.466 -2.716 180 HD2 PHE 320 1HD PHE 320 -1.580 4.103 0.314 181 HE1 PHE 320 2HE PHE 320 2.043 5.816 -2.537 182 HE2 PHE 320 1HE PHE 320 -0.882 6.454 0.498 183 HZ PHE 320 HZ PHE 320 0.933 7.314 -0.928 184 H PHE 321 HN PHE 321 0.643 1.031 -3.607 185 HA PHE 321 HA PHE 321 -0.515 -1.512 -4.442 186 HB2 PHE 321 3HB PHE 321 1.001 0.058 -5.877 187 HB3 PHE 321 2HB PHE 321 2.322 -0.686 -4.975 188 HD1 PHE 321 2HD PHE 321 2.817 -3.071 -5.198 189 HD2 PHE 321 1HD PHE 321 -0.203 -1.194 -7.537 190 HE1 PHE 321 2HE PHE 321 2.815 -4.995 -6.731 191 HE2 PHE 321 1HE PHE 321 -0.212 -3.115 -9.073 192 HZ PHE 321 HZ PHE 321 1.300 -5.019 -8.673 193 H HIS 322 HN HIS 322 -0.254 -3.325 -3.329 194 HA HIS 322 HA HIS 322 1.539 -3.357 -1.043 195 HB2 HIS 322 3HB HIS 322 -0.745 -5.028 -1.996 196 HB3 HIS 322 2HB HIS 322 0.431 -5.770 -0.906 197 HD1 HIS 322 1HD HIS 322 0.223 -5.267 1.538 198 HD2 HIS 322 2HD HIS 322 -2.068 -2.716 -0.810 199 HE1 HIS 322 1HE HIS 322 -1.173 -3.939 3.154 200 HE2 HIS 322 2HE HIS 322 -2.573 -2.379 1.720 201 HA PRO 323 HA PRO 323 4.767 -5.735 -2.823 202 HB2 PRO 323 3HB PRO 323 5.522 -7.315 -0.717 203 HB3 PRO 323 2HB PRO 323 5.846 -5.584 -0.800 204 HG2 PRO 323 3HG PRO 323 3.625 -7.038 0.597 205 HG3 PRO 323 2HG PRO 323 4.664 -5.694 1.200 206 HD2 PRO 323 3HD PRO 323 2.131 -5.301 0.306 207 HD3 PRO 323 2HD PRO 323 3.418 -4.103 0.090 208 H GLU 324 HN GLU 324 2.242 -7.543 -1.137 209 HA GLU 324 HA GLU 324 2.807 -9.872 -2.840 210 HB2 GLU 324 3HB GLU 324 1.139 -9.708 -0.318 211 HB3 GLU 324 2HB GLU 324 1.518 -11.180 -1.226 212 HG2 GLU 324 3HG GLU 324 3.778 -11.134 -0.601 213 HG3 GLU 324 2HG GLU 324 3.673 -9.452 -0.060 214 HE2 GLU 324 HE GLU 324 3.090 -12.197 2.573 215 H ARG 325 HN ARG 325 0.444 -7.455 -2.060 216 HA ARG 325 HA ARG 325 -1.447 -8.705 -3.943 217 HB2 ARG 325 3HB ARG 325 -1.850 -7.049 -1.475 218 HB3 ARG 325 2HB ARG 325 -3.076 -7.034 -2.751 219 HG2 ARG 325 3HG ARG 325 -2.107 -9.669 -1.746 220 HG3 ARG 325 2HG ARG 325 -3.219 -8.721 -0.745 221 HD2 ARG 325 3HD ARG 325 -4.746 -8.549 -2.733 222 HD3 ARG 325 2HD ARG 325 -3.675 -9.688 -3.562 223 HE ARG 325 HE ARG 325 -4.330 -10.919 -1.201 224 HH11 ARG 325 2HH1 ARG 325 -6.083 -9.625 -3.916 225 HH12 ARG 325 1HH1 ARG 325 -7.398 -10.744 -3.768 226 HH21 ARG 325 2HH2 ARG 325 -6.056 -12.397 -0.994 227 HH22 ARG 325 1HH2 ARG 325 -7.382 -12.319 -2.104 228 HA PRO 326 HA PRO 326 -1.104 -5.305 -6.694 229 HB2 PRO 326 3HB PRO 326 -3.679 -5.017 -7.582 230 HB3 PRO 326 2HB PRO 326 -2.638 -6.366 -8.036 231 HG2 PRO 326 3HG PRO 326 -4.742 -6.221 -5.902 232 HG3 PRO 326 2HG PRO 326 -4.439 -7.517 -7.121 233 HD2 PRO 326 3HD PRO 326 -3.640 -7.722 -4.535 234 HD3 PRO 326 2HD PRO 326 -2.719 -8.419 -5.879 235 H SER 327 HN SER 327 -4.006 -4.990 -4.640 236 HA SER 327 HA SER 327 -3.179 -2.289 -3.921 237 HB2 SER 327 1HB SER 327 -4.535 -1.633 -5.704 238 HB3 SER 327 2HB SER 327 -5.679 -2.961 -5.443 239 HG SER 327 HG SER 327 -6.683 -1.837 -3.938 Start of MODEL 11 1 H1 SER 299 HN SER 299 10.033 11.604 -1.446 2 HA SER 299 HA SER 299 7.133 11.990 -1.082 3 HB2 SER 299 1HB SER 299 9.085 13.358 -2.919 4 HB3 SER 299 2HB SER 299 7.378 13.220 -3.376 5 HG SER 299 HG SER 299 6.800 14.379 -1.573 6 H GLU 300 HN GLU 300 7.218 9.574 -1.213 7 HA GLU 300 HA GLU 300 7.265 8.699 -4.027 8 HB2 GLU 300 3HB GLU 300 7.622 6.374 -3.017 9 HB3 GLU 300 2HB GLU 300 8.990 7.497 -2.981 10 HG2 GLU 300 3HG GLU 300 7.149 7.320 -0.630 11 HG3 GLU 300 2HG GLU 300 8.402 6.096 -0.877 12 HE2 GLU 300 HE GLU 300 10.772 8.921 -0.674 13 H HIS 301 HN HIS 301 5.129 9.011 -4.516 14 HA HIS 301 HA HIS 301 3.053 8.020 -2.756 15 HB2 HIS 301 3HB HIS 301 2.860 10.147 -4.102 16 HB3 HIS 301 2HB HIS 301 2.741 9.137 -5.546 17 HD1 HIS 301 1HD HIS 301 0.775 10.288 -2.613 18 HD2 HIS 301 2HD HIS 301 0.333 7.673 -5.812 19 HE1 HIS 301 1HE HIS 301 -1.675 9.725 -2.689 20 HE2 HIS 301 2HE HIS 301 -1.946 8.128 -4.644 21 H ARG 302 HN ARG 302 4.264 7.296 -6.019 22 HA ARG 302 HA ARG 302 2.902 4.688 -5.847 23 HB2 ARG 302 3HB ARG 302 2.943 4.677 -8.332 24 HB3 ARG 302 2HB ARG 302 1.973 5.990 -7.650 25 HG2 ARG 302 3HG ARG 302 3.446 7.630 -8.311 26 HG3 ARG 302 2HG ARG 302 4.819 6.510 -8.362 27 HD2 ARG 302 3HD ARG 302 2.501 6.574 -10.309 28 HD3 ARG 302 2HD ARG 302 4.139 7.170 -10.611 29 HE ARG 302 HE ARG 302 3.256 4.445 -10.695 30 HH11 ARG 302 2HH1 ARG 302 5.991 6.533 -10.168 31 HH12 ARG 302 1HH1 ARG 302 7.159 5.331 -10.606 32 HH21 ARG 302 2HH2 ARG 302 4.783 2.854 -11.275 33 HH22 ARG 302 1HH2 ARG 302 6.471 3.239 -11.237 34 H LYS 303 HN LYS 303 5.887 6.361 -6.338 35 HA LYS 303 HA LYS 303 7.459 4.488 -7.618 36 HB2 LYS 303 3HB LYS 303 8.247 6.302 -5.323 37 HB3 LYS 303 2HB LYS 303 9.372 5.499 -6.431 38 HG2 LYS 303 3HG LYS 303 7.942 6.756 -8.262 39 HG3 LYS 303 2HG LYS 303 7.596 7.833 -6.896 40 HD2 LYS 303 3HD LYS 303 10.426 7.024 -7.469 41 HD3 LYS 303 2HD LYS 303 9.657 8.297 -8.430 42 HE2 LYS 303 3HE LYS 303 9.472 9.746 -6.639 43 HE3 LYS 303 2HE LYS 303 9.478 8.430 -5.456 44 HZ1 LYS 303 3HZ LYS 303 11.869 8.070 -6.125 45 HZ2 LYS 303 1HZ LYS 303 11.547 9.484 -5.255 46 HZ3 LYS 303 2HZ LYS 303 11.785 9.557 -6.928 47 H GLN 304 HN GLN 304 6.867 4.781 -4.119 48 HA GLN 304 HA GLN 304 7.995 2.093 -3.762 49 HB2 GLN 304 3HB GLN 304 7.724 4.489 -2.002 50 HB3 GLN 304 2HB GLN 304 7.703 2.888 -1.245 51 HG2 GLN 304 3HG GLN 304 9.896 4.017 -2.984 52 HG3 GLN 304 2HG GLN 304 9.939 3.804 -1.228 53 HE21 GLN 304 1HE2 GLN 304 10.214 1.766 -0.362 54 HE22 GLN 304 2HE2 GLN 304 10.715 0.411 -1.310 55 HA PRO 305 HA PRO 305 4.129 0.258 -2.801 56 HB2 PRO 305 3HB PRO 305 4.768 -1.425 -0.736 57 HB3 PRO 305 2HB PRO 305 5.263 -1.701 -2.406 58 HG2 PRO 305 3HG PRO 305 6.799 -0.464 -0.146 59 HG3 PRO 305 2HG PRO 305 7.335 -1.696 -1.349 60 HD2 PRO 305 3HD PRO 305 7.992 0.930 -1.549 61 HD3 PRO 305 2HD PRO 305 7.710 -0.095 -2.965 62 H CYS 306 HN CYS 306 2.828 -0.473 -0.666 63 HA CYS 306 HA CYS 306 1.820 1.813 0.500 64 HB2 CYS 306 3HB CYS 306 1.493 -1.036 0.818 65 HB3 CYS 306 2HB CYS 306 1.455 -0.245 2.396 66 HA PRO 307 HA PRO 307 4.545 3.076 3.696 67 HB2 PRO 307 3HB PRO 307 2.797 3.924 5.627 68 HB3 PRO 307 2HB PRO 307 3.080 4.794 4.121 69 HG2 PRO 307 3HG PRO 307 0.887 2.874 4.824 70 HG3 PRO 307 2HG PRO 307 0.781 4.470 3.992 71 HD2 PRO 307 3HD PRO 307 0.683 2.111 2.654 72 HD3 PRO 307 2HD PRO 307 1.423 3.568 1.970 73 H TYR 308 HN TYR 308 1.954 0.872 4.647 74 HA TYR 308 HA TYR 308 3.742 -0.231 6.714 75 HB2 TYR 308 3HB TYR 308 0.751 0.135 6.686 76 HB3 TYR 308 2HB TYR 308 1.512 -1.065 7.732 77 HD1 TYR 308 2HD TYR 308 3.821 0.115 8.850 78 HD2 TYR 308 1HD TYR 308 0.125 1.999 7.907 79 HE1 TYR 308 2HE TYR 308 4.274 1.839 10.544 80 HE2 TYR 308 1HE TYR 308 0.568 3.729 9.599 81 HH TYR 308 HH TYR 308 3.423 3.570 11.684 82 H GLY 309 HN GLY 309 1.212 -0.996 4.347 83 HA2 GLY 309 2HA GLY 309 0.891 -2.868 3.052 84 HA3 GLY 309 3HA GLY 309 2.534 -3.341 3.459 85 H LYS 310 HN LYS 310 2.880 -4.891 4.977 86 HA LYS 310 HA LYS 310 0.804 -6.682 5.580 87 HB2 LYS 310 3HB LYS 310 2.477 -7.681 7.193 88 HB3 LYS 310 2HB LYS 310 3.020 -7.532 5.514 89 HG2 LYS 310 3HG LYS 310 4.406 -5.681 6.010 90 HG3 LYS 310 2HG LYS 310 3.678 -5.488 7.614 91 HD2 LYS 310 3HD LYS 310 4.983 -8.091 6.954 92 HD3 LYS 310 2HD LYS 310 6.010 -6.688 7.297 93 HE2 LYS 310 3HE LYS 310 5.293 -6.512 9.489 94 HE3 LYS 310 2HE LYS 310 3.760 -7.327 9.150 95 HZ1 LYS 310 3HZ LYS 310 5.803 -8.504 10.369 96 HZ2 LYS 310 1HZ LYS 310 6.150 -8.933 8.769 97 HZ3 LYS 310 2HZ LYS 310 4.661 -9.351 9.453 98 H LYS 311 HN LYS 311 2.134 -3.968 7.341 99 HA LYS 311 HA LYS 311 0.640 -4.606 9.748 100 HB2 LYS 311 3HB LYS 311 2.436 -2.289 9.001 101 HB3 LYS 311 2HB LYS 311 1.608 -2.427 10.561 102 HG2 LYS 311 3HG LYS 311 3.019 -4.004 11.342 103 HG3 LYS 311 2HG LYS 311 3.211 -4.762 9.751 104 HD2 LYS 311 3HD LYS 311 4.360 -2.040 10.144 105 HD3 LYS 311 2HD LYS 311 5.182 -3.415 10.902 106 HE2 LYS 311 3HE LYS 311 5.562 -4.482 8.825 107 HE3 LYS 311 2HE LYS 311 4.405 -3.427 7.998 108 HZ1 LYS 311 3HZ LYS 311 5.985 -1.936 7.613 109 HZ2 LYS 311 1HZ LYS 311 7.119 -3.066 8.163 110 HZ3 LYS 311 2HZ LYS 311 6.482 -1.919 9.231 111 H CYS 312 HN CYS 312 0.216 -2.806 6.866 112 HA CYS 312 HA CYS 312 -1.426 -0.717 7.609 113 HB2 CYS 312 3HB CYS 312 -0.545 -1.486 5.268 114 HB3 CYS 312 2HB CYS 312 -2.082 -2.349 5.179 115 H THR 313 HN THR 313 -3.765 -0.489 7.483 116 HA THR 313 HA THR 313 -5.101 -2.798 8.693 117 HB THR 313 HB THR 313 -6.853 -1.206 9.371 118 HG1 THR 313 1HG THR 313 -6.773 0.357 7.799 119 HG21 THR 313 3HG2 THR 313 -3.995 -0.698 10.087 120 HG22 THR 313 1HG2 THR 313 -5.281 -1.415 11.056 121 HG23 THR 313 2HG2 THR 313 -5.260 0.325 10.767 122 H TYR 314 HN TYR 314 -5.285 -0.623 5.947 123 HA TYR 314 HA TYR 314 -7.828 -1.403 5.009 124 HB2 TYR 314 3HB TYR 314 -5.549 -0.491 3.250 125 HB3 TYR 314 2HB TYR 314 -7.281 -0.261 2.997 126 HD1 TYR 314 2HD TYR 314 -8.435 0.981 5.156 127 HD2 TYR 314 1HD TYR 314 -4.418 1.439 3.831 128 HE1 TYR 314 2HE TYR 314 -8.332 3.181 6.250 129 HE2 TYR 314 1HE TYR 314 -4.303 3.640 4.923 130 HH TYR 314 HH TYR 314 -7.033 5.282 6.041 131 H GLY 315 HN GLY 315 -4.586 -2.359 3.850 132 HA2 GLY 315 2HA GLY 315 -3.848 -4.379 3.016 133 HA3 GLY 315 3HA GLY 315 -5.367 -5.092 3.536 134 H ILE 316 HN ILE 316 -7.264 -4.706 2.146 135 HA ILE 316 HA ILE 316 -6.461 -4.835 -0.666 136 HB ILE 316 HB ILE 316 -9.169 -5.484 0.491 137 HG12 ILE 316 1HG1 ILE 316 -6.855 -7.348 -0.099 138 HG13 ILE 316 2HG1 ILE 316 -7.425 -6.898 1.518 139 HG21 ILE 316 1HG2 ILE 316 -8.928 -4.998 -1.972 140 HG22 ILE 316 2HG2 ILE 316 -7.924 -6.443 -2.072 141 HG23 ILE 316 3HG2 ILE 316 -9.608 -6.573 -1.564 142 HD11 ILE 316 3HD1 ILE 316 -9.716 -7.828 0.507 143 HD12 ILE 316 1HD1 ILE 316 -8.571 -8.794 -0.423 144 HD13 ILE 316 2HD1 ILE 316 -8.541 -8.844 1.341 145 H LYS 317 HN LYS 317 -8.345 -2.939 1.569 146 HA LYS 317 HA LYS 317 -9.419 -1.293 -0.600 147 HB2 LYS 317 3HB LYS 317 -10.780 -0.221 1.128 148 HB3 LYS 317 2HB LYS 317 -10.978 -1.980 1.158 149 HG2 LYS 317 3HG LYS 317 -9.009 -1.753 2.960 150 HG3 LYS 317 2HG LYS 317 -9.787 -0.172 3.166 151 HD2 LYS 317 3HD LYS 317 -11.951 -1.849 3.078 152 HD3 LYS 317 2HD LYS 317 -10.736 -2.846 3.900 153 HE2 LYS 317 3HE LYS 317 -10.319 -0.696 5.327 154 HE3 LYS 317 2HE LYS 317 -11.922 -0.233 4.742 155 HZ1 LYS 317 3HZ LYS 317 -12.228 -2.818 5.572 156 HZ2 LYS 317 1HZ LYS 317 -12.714 -1.434 6.415 157 HZ3 LYS 317 2HZ LYS 317 -11.212 -2.141 6.742 158 H CYS 318 HN CYS 318 -6.566 -1.310 0.112 159 HA CYS 318 HA CYS 318 -6.072 1.205 1.443 160 HB2 CYS 318 3HB CYS 318 -4.581 -0.860 1.558 161 HB3 CYS 318 2HB CYS 318 -4.068 -0.458 -0.082 162 H ARG 319 HN ARG 319 -4.650 2.852 0.385 163 HA ARG 319 HA ARG 319 -5.673 3.399 -2.304 164 HB2 ARG 319 3HB ARG 319 -4.596 5.095 -0.078 165 HB3 ARG 319 2HB ARG 319 -4.552 5.703 -1.740 166 HG2 ARG 319 3HG ARG 319 -7.121 4.616 -0.681 167 HG3 ARG 319 2HG ARG 319 -6.580 6.223 -0.166 168 HD2 ARG 319 3HD ARG 319 -6.713 5.424 -3.073 169 HD3 ARG 319 2HD ARG 319 -8.095 6.113 -2.210 170 HE ARG 319 HE ARG 319 -6.083 7.877 -1.724 171 HH11 ARG 319 2HH1 ARG 319 -7.479 6.504 -4.602 172 HH12 ARG 319 1HH1 ARG 319 -7.145 7.893 -5.583 173 HH21 ARG 319 2HH2 ARG 319 -5.637 9.711 -3.005 174 HH22 ARG 319 1HH2 ARG 319 -6.096 9.716 -4.674 175 H PHE 320 HN PHE 320 -2.757 2.697 -0.571 176 HA PHE 320 HA PHE 320 -1.044 3.486 -2.781 177 HB2 PHE 320 3HB PHE 320 -0.684 2.760 0.048 178 HB3 PHE 320 2HB PHE 320 0.573 2.135 -1.022 179 HD1 PHE 320 2HD PHE 320 -1.317 5.345 -0.722 180 HD2 PHE 320 1HD PHE 320 2.460 3.420 -1.108 181 HE1 PHE 320 2HE PHE 320 -0.203 7.539 -0.727 182 HE2 PHE 320 1HE PHE 320 3.580 5.611 -1.112 183 HZ PHE 320 HZ PHE 320 2.248 7.674 -0.923 184 H PHE 321 HN PHE 321 0.827 1.718 -3.113 185 HA PHE 321 HA PHE 321 -0.568 -0.590 -4.214 186 HB2 PHE 321 3HB PHE 321 0.900 0.517 -5.746 187 HB3 PHE 321 2HB PHE 321 2.229 0.484 -4.586 188 HD1 PHE 321 1HD PHE 321 -0.091 -2.017 -6.110 189 HD2 PHE 321 2HD PHE 321 3.905 -0.997 -5.054 190 HE1 PHE 321 1HE PHE 321 0.696 -4.153 -7.043 191 HE2 PHE 321 2HE PHE 321 4.699 -3.131 -5.987 192 HZ PHE 321 HZ PHE 321 3.095 -4.712 -6.984 193 H HIS 322 HN HIS 322 -0.800 -2.301 -2.940 194 HA HIS 322 HA HIS 322 0.986 -2.815 -0.740 195 HB2 HIS 322 3HB HIS 322 -1.570 -3.949 -1.757 196 HB3 HIS 322 2HB HIS 322 -0.548 -5.021 -0.793 197 HD1 HIS 322 1HD HIS 322 -0.529 -4.697 1.702 198 HD2 HIS 322 2HD HIS 322 -2.450 -1.607 -0.304 199 HE1 HIS 322 1HE HIS 322 -1.616 -3.307 3.493 200 HE2 HIS 322 2HE HIS 322 -2.790 -1.418 2.268 201 HA PRO 323 HA PRO 323 3.776 -5.620 -2.637 202 HB2 PRO 323 3HB PRO 323 4.263 -7.373 -0.590 203 HB3 PRO 323 2HB PRO 323 4.870 -5.717 -0.620 204 HG2 PRO 323 3HG PRO 323 2.442 -6.829 0.748 205 HG3 PRO 323 2HG PRO 323 3.692 -5.696 1.386 206 HD2 PRO 323 3HD PRO 323 1.257 -4.858 0.526 207 HD3 PRO 323 2HD PRO 323 2.726 -3.885 0.338 208 H GLU 324 HN GLU 324 0.838 -6.861 -1.220 209 HA GLU 324 HA GLU 324 1.102 -9.337 -2.783 210 HB2 GLU 324 3HB GLU 324 -0.959 -8.779 -0.650 211 HB3 GLU 324 2HB GLU 324 -0.480 -10.344 -1.322 212 HG2 GLU 324 3HG GLU 324 1.865 -9.216 -0.267 213 HG3 GLU 324 2HG GLU 324 0.591 -8.930 0.927 214 HE2 GLU 324 HE GLU 324 2.128 -12.371 1.052 215 H ARG 325 HN ARG 325 0.058 -6.420 -3.380 216 HA ARG 325 HA ARG 325 -2.489 -7.243 -4.603 217 HB2 ARG 325 3HB ARG 325 -1.447 -4.614 -3.603 218 HB3 ARG 325 2HB ARG 325 -2.696 -4.645 -4.858 219 HG2 ARG 325 3HG ARG 325 -3.071 -6.219 -2.338 220 HG3 ARG 325 2HG ARG 325 -3.389 -4.477 -2.369 221 HD2 ARG 325 3HD ARG 325 -5.474 -5.393 -2.861 222 HD3 ARG 325 2HD ARG 325 -4.816 -4.988 -4.452 223 HE ARG 325 HE ARG 325 -4.209 -7.673 -3.673 224 HH11 ARG 325 2HH1 ARG 325 -6.658 -5.614 -5.046 225 HH12 ARG 325 1HH1 ARG 325 -7.439 -6.897 -5.908 226 HH21 ARG 325 2HH2 ARG 325 -5.228 -9.371 -4.803 227 HH22 ARG 325 1HH2 ARG 325 -6.625 -9.034 -5.768 228 HA PRO 326 HA PRO 326 -0.906 -6.810 -8.671 229 HB2 PRO 326 3HB PRO 326 -3.032 -5.716 -10.006 230 HB3 PRO 326 2HB PRO 326 -2.994 -7.385 -9.437 231 HG2 PRO 326 3HG PRO 326 -4.227 -4.966 -8.161 232 HG3 PRO 326 2HG PRO 326 -4.915 -6.621 -8.370 233 HD2 PRO 326 3HD PRO 326 -3.870 -5.755 -6.018 234 HD3 PRO 326 2HD PRO 326 -3.753 -7.440 -6.556 235 H SER 327 HN SER 327 0.049 -5.368 -10.096 236 HA SER 327 HA SER 327 0.106 -2.578 -9.183 237 HB2 SER 327 1HB SER 327 2.311 -3.297 -9.159 238 HB3 SER 327 2HB SER 327 2.087 -4.346 -10.570 239 HG SER 327 HG SER 327 2.763 -2.761 -11.752 Start of MODEL 12 1 H1 SER 299 HN SER 299 7.648 13.858 -4.063 2 HA SER 299 HA SER 299 5.505 12.479 -2.847 3 HB2 SER 299 1HB SER 299 5.566 13.157 -5.783 4 HB3 SER 299 2HB SER 299 4.196 13.194 -4.659 5 HG SER 299 HG SER 299 4.670 15.185 -4.232 6 H GLU 300 HN GLU 300 5.933 10.333 -2.504 7 HA GLU 300 HA GLU 300 6.443 8.683 -4.890 8 HB2 GLU 300 3HB GLU 300 7.107 6.923 -3.155 9 HB3 GLU 300 2HB GLU 300 8.206 8.292 -3.387 10 HG2 GLU 300 3HG GLU 300 6.119 8.430 -1.252 11 HG3 GLU 300 2HG GLU 300 7.590 7.482 -0.989 12 HE2 GLU 300 HE GLU 300 7.919 11.148 -0.186 13 H HIS 301 HN HIS 301 3.851 9.626 -4.342 14 HA HIS 301 HA HIS 301 2.274 7.787 -2.893 15 HB2 HIS 301 3HB HIS 301 0.366 8.823 -3.940 16 HB3 HIS 301 2HB HIS 301 1.541 10.079 -3.536 17 HD1 HIS 301 1HD HIS 301 -0.599 9.153 -6.194 18 HD2 HIS 301 2HD HIS 301 3.286 10.610 -5.982 19 HE1 HIS 301 1HE HIS 301 -0.118 10.119 -8.465 20 HE2 HIS 301 2HE HIS 301 2.257 11.010 -8.337 21 H ARG 302 HN ARG 302 3.621 7.727 -6.081 22 HA ARG 302 HA ARG 302 2.345 5.119 -6.529 23 HB2 ARG 302 3HB ARG 302 2.199 5.664 -8.958 24 HB3 ARG 302 2HB ARG 302 1.140 6.647 -7.938 25 HG2 ARG 302 3HG ARG 302 1.965 8.420 -8.995 26 HG3 ARG 302 2HG ARG 302 3.450 8.141 -8.070 27 HD2 ARG 302 3HD ARG 302 3.905 8.363 -10.477 28 HD3 ARG 302 2HD ARG 302 4.343 6.764 -9.858 29 HE ARG 302 HE ARG 302 1.695 6.820 -10.931 30 HH11 ARG 302 2HH1 ARG 302 5.068 6.579 -11.759 31 HH12 ARG 302 1HH1 ARG 302 4.778 5.724 -13.239 32 HH21 ARG 302 2HH2 ARG 302 1.300 5.695 -12.875 33 HH22 ARG 302 1HH2 ARG 302 2.634 5.223 -13.873 34 H LYS 303 HN LYS 303 5.007 5.978 -5.549 35 HA LYS 303 HA LYS 303 6.653 4.711 -7.642 36 HB2 LYS 303 3HB LYS 303 7.582 6.712 -5.568 37 HB3 LYS 303 2HB LYS 303 8.552 6.013 -6.874 38 HG2 LYS 303 3HG LYS 303 6.106 7.709 -7.355 39 HG3 LYS 303 2HG LYS 303 7.754 8.355 -7.263 40 HD2 LYS 303 3HD LYS 303 8.378 6.701 -9.083 41 HD3 LYS 303 2HD LYS 303 6.640 6.411 -9.274 42 HE2 LYS 303 3HE LYS 303 7.761 8.151 -10.815 43 HE3 LYS 303 2HE LYS 303 6.230 8.575 -10.032 44 HZ1 LYS 303 3HZ LYS 303 8.137 10.261 -9.975 45 HZ2 LYS 303 1HZ LYS 303 8.803 9.277 -8.770 46 HZ3 LYS 303 2HZ LYS 303 7.282 9.981 -8.542 47 H GLN 304 HN GLN 304 6.077 5.072 -4.178 48 HA GLN 304 HA GLN 304 7.752 2.712 -3.675 49 HB2 GLN 304 3HB GLN 304 6.933 5.071 -2.048 50 HB3 GLN 304 2HB GLN 304 7.189 3.537 -1.202 51 HG2 GLN 304 3HG GLN 304 9.171 5.085 -1.293 52 HG3 GLN 304 2HG GLN 304 9.448 3.429 -1.852 53 HE21 GLN 304 1HE2 GLN 304 10.048 3.062 -3.923 54 HE22 GLN 304 2HE2 GLN 304 10.344 4.310 -5.080 55 HA PRO 305 HA PRO 305 4.352 0.115 -2.717 56 HB2 PRO 305 3HB PRO 305 5.274 -1.302 -0.564 57 HB3 PRO 305 2HB PRO 305 5.872 -1.531 -2.206 58 HG2 PRO 305 3HG PRO 305 7.026 0.102 0.029 59 HG3 PRO 305 2HG PRO 305 7.857 -1.028 -1.104 60 HD2 PRO 305 3HD PRO 305 7.933 1.668 -1.409 61 HD3 PRO 305 2HD PRO 305 7.927 0.549 -2.783 62 H CYS 306 HN CYS 306 3.070 -0.746 -0.685 63 HA CYS 306 HA CYS 306 1.640 1.346 0.399 64 HB2 CYS 306 3HB CYS 306 1.742 -1.513 0.704 65 HB3 CYS 306 2HB CYS 306 1.513 -0.760 2.283 66 HA PRO 307 HA PRO 307 3.954 3.034 3.724 67 HB2 PRO 307 3HB PRO 307 1.976 3.649 5.515 68 HB3 PRO 307 2HB PRO 307 2.237 4.532 4.011 69 HG2 PRO 307 3HG PRO 307 0.291 2.330 4.611 70 HG3 PRO 307 2HG PRO 307 0.020 3.883 3.738 71 HD2 PRO 307 3HD PRO 307 0.346 1.516 2.449 72 HD3 PRO 307 2HD PRO 307 0.920 3.055 1.784 73 H TYR 308 HN TYR 308 1.622 0.515 4.570 74 HA TYR 308 HA TYR 308 3.415 -0.313 6.759 75 HB2 TYR 308 3HB TYR 308 0.404 -0.402 6.555 76 HB3 TYR 308 2HB TYR 308 1.293 -1.385 7.719 77 HD1 TYR 308 1HD TYR 308 2.591 -0.317 9.539 78 HD2 TYR 308 2HD TYR 308 0.118 1.955 6.926 79 HE1 TYR 308 1HE TYR 308 2.650 1.561 11.125 80 HE2 TYR 308 2HE TYR 308 0.171 3.839 8.504 81 HH TYR 308 HH TYR 308 1.201 3.556 11.671 82 H GLY 309 HN GLY 309 1.197 -1.412 4.227 83 HA2 GLY 309 2HA GLY 309 1.240 -3.314 2.934 84 HA3 GLY 309 3HA GLY 309 2.853 -3.623 3.557 85 H LYS 310 HN LYS 310 3.140 -5.193 5.037 86 HA LYS 310 HA LYS 310 1.133 -7.099 5.477 87 HB2 LYS 310 3HB LYS 310 2.713 -8.023 7.203 88 HB3 LYS 310 2HB LYS 310 3.414 -7.786 5.594 89 HG2 LYS 310 3HG LYS 310 3.854 -5.388 7.009 90 HG3 LYS 310 2HG LYS 310 4.260 -6.719 8.107 91 HD2 LYS 310 3HD LYS 310 6.008 -7.441 6.831 92 HD3 LYS 310 2HD LYS 310 5.241 -6.929 5.317 93 HE2 LYS 310 3HE LYS 310 6.223 -4.907 7.319 94 HE3 LYS 310 2HE LYS 310 7.317 -5.643 6.140 95 HZ1 LYS 310 3HZ LYS 310 4.834 -4.162 5.462 96 HZ2 LYS 310 1HZ LYS 310 5.929 -4.825 4.357 97 HZ3 LYS 310 2HZ LYS 310 6.403 -3.541 5.351 98 H LYS 311 HN LYS 311 2.174 -4.335 7.363 99 HA LYS 311 HA LYS 311 0.522 -5.059 9.631 100 HB2 LYS 311 3HB LYS 311 2.199 -2.617 9.016 101 HB3 LYS 311 2HB LYS 311 1.274 -2.825 10.511 102 HG2 LYS 311 3HG LYS 311 2.610 -4.635 11.224 103 HG3 LYS 311 2HG LYS 311 3.351 -4.802 9.622 104 HD2 LYS 311 3HD LYS 311 5.011 -3.716 10.833 105 HD3 LYS 311 2HD LYS 311 4.184 -2.381 10.011 106 HE2 LYS 311 3HE LYS 311 2.726 -2.276 12.166 107 HE3 LYS 311 2HE LYS 311 4.051 -3.199 12.889 108 HZ1 LYS 311 3HZ LYS 311 5.056 -0.995 11.411 109 HZ2 LYS 311 1HZ LYS 311 5.271 -1.372 13.046 110 HZ3 LYS 311 2HZ LYS 311 3.927 -0.469 12.556 111 H CYS 312 HN CYS 312 0.245 -3.222 6.735 112 HA CYS 312 HA CYS 312 -1.624 -1.292 7.360 113 HB2 CYS 312 3HB CYS 312 -0.496 -1.681 5.134 114 HB3 CYS 312 2HB CYS 312 -1.679 -2.957 4.839 115 H THR 313 HN THR 313 -3.875 -1.202 7.389 116 HA THR 313 HA THR 313 -5.192 -3.794 7.862 117 HB THR 313 HB THR 313 -6.896 -2.437 9.138 118 HG1 THR 313 1HG THR 313 -4.953 -0.417 9.363 119 HG21 THR 313 3HG2 THR 313 -5.610 -2.383 11.148 120 HG22 THR 313 1HG2 THR 313 -4.102 -2.215 10.251 121 HG23 THR 313 2HG2 THR 313 -5.005 -3.728 10.182 122 H TYR 314 HN TYR 314 -5.220 -0.897 5.984 123 HA TYR 314 HA TYR 314 -7.856 -0.805 5.104 124 HB2 TYR 314 3HB TYR 314 -5.377 -0.177 3.479 125 HB3 TYR 314 2HB TYR 314 -7.010 0.413 3.163 126 HD1 TYR 314 1HD TYR 314 -8.017 1.320 5.686 127 HD2 TYR 314 2HD TYR 314 -4.062 1.616 4.146 128 HE1 TYR 314 1HE TYR 314 -7.615 3.284 7.112 129 HE2 TYR 314 2HE TYR 314 -3.648 3.580 5.567 130 HH TYR 314 HH TYR 314 -5.348 5.438 6.676 131 H GLY 315 HN GLY 315 -5.091 -2.383 3.483 132 HA2 GLY 315 2HA GLY 315 -5.049 -4.384 2.312 133 HA3 GLY 315 3HA GLY 315 -6.756 -4.595 2.673 134 H ILE 316 HN ILE 316 -8.286 -3.263 1.411 135 HA ILE 316 HA ILE 316 -7.383 -3.119 -1.370 136 HB ILE 316 HB ILE 316 -10.190 -3.061 -0.255 137 HG12 ILE 316 1HG1 ILE 316 -8.719 -5.273 -1.708 138 HG13 ILE 316 2HG1 ILE 316 -8.979 -5.221 0.044 139 HG21 ILE 316 1HG2 ILE 316 -10.904 -3.377 -2.567 140 HG22 ILE 316 2HG2 ILE 316 -9.998 -1.877 -2.380 141 HG23 ILE 316 3HG2 ILE 316 -9.226 -3.289 -3.103 142 HD11 ILE 316 3HD1 ILE 316 -11.514 -4.889 -1.004 143 HD12 ILE 316 1HD1 ILE 316 -10.764 -6.094 -2.052 144 HD13 ILE 316 2HD1 ILE 316 -10.843 -6.364 -0.310 145 H LYS 317 HN LYS 317 -8.595 -1.143 1.228 146 HA LYS 317 HA LYS 317 -8.837 1.176 -0.543 147 HB2 LYS 317 3HB LYS 317 -9.868 2.308 1.362 148 HB3 LYS 317 2HB LYS 317 -10.677 0.768 1.027 149 HG2 LYS 317 3HG LYS 317 -8.979 -0.132 2.842 150 HG3 LYS 317 2HG LYS 317 -9.007 1.567 3.349 151 HD2 LYS 317 3HD LYS 317 -11.536 -0.011 2.887 152 HD3 LYS 317 2HD LYS 317 -10.695 0.002 4.447 153 HE2 LYS 317 3HE LYS 317 -11.690 2.463 2.989 154 HE3 LYS 317 2HE LYS 317 -12.522 1.660 4.329 155 HZ1 LYS 317 3HZ LYS 317 -10.073 3.269 4.370 156 HZ2 LYS 317 1HZ LYS 317 -10.234 2.027 5.507 157 HZ3 LYS 317 2HZ LYS 317 -11.380 3.268 5.444 158 H CYS 318 HN CYS 318 -6.267 -0.109 0.309 159 HA CYS 318 HA CYS 318 -4.992 1.663 2.143 160 HB2 CYS 318 3HB CYS 318 -4.185 -0.614 1.838 161 HB3 CYS 318 2HB CYS 318 -3.833 -0.285 0.140 162 H ARG 319 HN ARG 319 -5.601 1.710 -1.257 163 HA ARG 319 HA ARG 319 -5.191 3.256 -2.875 164 HB2 ARG 319 3HB ARG 319 -4.247 5.072 -0.650 165 HB3 ARG 319 2HB ARG 319 -4.863 5.544 -2.240 166 HG2 ARG 319 3HG ARG 319 -7.052 4.405 -1.532 167 HG3 ARG 319 2HG ARG 319 -6.380 4.467 0.106 168 HD2 ARG 319 3HD ARG 319 -6.346 6.812 0.146 169 HD3 ARG 319 2HD ARG 319 -6.480 6.919 -1.615 170 HE ARG 319 HE ARG 319 -8.784 5.668 -0.628 171 HH11 ARG 319 2HH1 ARG 319 -7.214 8.776 -0.584 172 HH12 ARG 319 1HH1 ARG 319 -8.692 9.665 -0.425 173 HH21 ARG 319 2HH2 ARG 319 -10.736 6.829 -0.419 174 HH22 ARG 319 1HH2 ARG 319 -10.694 8.557 -0.330 175 H PHE 320 HN PHE 320 -3.075 1.431 -1.835 176 HA PHE 320 HA PHE 320 -0.840 2.719 -3.199 177 HB2 PHE 320 3HB PHE 320 -0.855 1.830 -0.340 178 HB3 PHE 320 2HB PHE 320 0.621 1.616 -1.284 179 HD1 PHE 320 1HD PHE 320 1.646 3.633 -2.418 180 HD2 PHE 320 2HD PHE 320 -1.381 3.931 0.560 181 HE1 PHE 320 1HE PHE 320 2.270 5.980 -2.022 182 HE2 PHE 320 2HE PHE 320 -0.762 6.279 0.959 183 HZ PHE 320 HZ PHE 320 1.065 7.306 -0.333 184 H PHE 321 HN PHE 321 1.038 1.033 -3.354 185 HA PHE 321 HA PHE 321 -0.177 -1.419 -4.381 186 HB2 PHE 321 3HB PHE 321 1.289 -0.072 -5.866 187 HB3 PHE 321 2HB PHE 321 2.633 -0.363 -4.759 188 HD1 PHE 321 2HD PHE 321 3.600 -2.604 -4.510 189 HD2 PHE 321 1HD PHE 321 0.563 -1.784 -7.377 190 HE1 PHE 321 2HE PHE 321 4.145 -4.698 -5.681 191 HE2 PHE 321 1HE PHE 321 1.102 -3.878 -8.552 192 HZ PHE 321 HZ PHE 321 2.897 -5.337 -7.706 193 H HIS 322 HN HIS 322 -0.072 -3.254 -3.282 194 HA HIS 322 HA HIS 322 1.635 -3.437 -0.939 195 HB2 HIS 322 3HB HIS 322 -0.695 -4.968 -2.014 196 HB3 HIS 322 2HB HIS 322 0.396 -5.783 -0.889 197 HD1 HIS 322 1HD HIS 322 0.195 -5.228 1.560 198 HD2 HIS 322 2HD HIS 322 -2.033 -2.687 -0.856 199 HE1 HIS 322 1HE HIS 322 -1.222 -3.873 3.135 200 HE2 HIS 322 2HE HIS 322 -2.584 -2.320 1.659 201 HA PRO 323 HA PRO 323 4.792 -5.944 -2.669 202 HB2 PRO 323 3HB PRO 323 5.392 -7.603 -0.574 203 HB3 PRO 323 2HB PRO 323 5.809 -5.891 -0.609 204 HG2 PRO 323 3HG PRO 323 3.470 -7.253 0.683 205 HG3 PRO 323 2HG PRO 323 4.559 -5.978 1.350 206 HD2 PRO 323 3HD PRO 323 2.081 -5.432 0.385 207 HD3 PRO 323 2HD PRO 323 3.436 -4.301 0.235 208 H GLU 324 HN GLU 324 2.115 -7.642 -1.113 209 HA GLU 324 HA GLU 324 2.617 -9.968 -2.839 210 HB2 GLU 324 3HB GLU 324 0.850 -9.768 -0.388 211 HB3 GLU 324 2HB GLU 324 1.219 -11.240 -1.300 212 HG2 GLU 324 3HG GLU 324 3.406 -11.342 -0.528 213 HG3 GLU 324 2HG GLU 324 3.416 -9.635 -0.064 214 HE2 GLU 324 HE GLU 324 2.011 -10.306 3.028 215 H ARG 325 HN ARG 325 0.359 -7.442 -2.096 216 HA ARG 325 HA ARG 325 -1.510 -8.541 -4.093 217 HB2 ARG 325 3HB ARG 325 -1.951 -6.966 -1.578 218 HB3 ARG 325 2HB ARG 325 -3.122 -6.857 -2.902 219 HG2 ARG 325 3HG ARG 325 -2.262 -9.477 -1.686 220 HG3 ARG 325 2HG ARG 325 -3.649 -8.538 -1.109 221 HD2 ARG 325 3HD ARG 325 -4.574 -8.610 -3.446 222 HD3 ARG 325 2HD ARG 325 -3.265 -9.729 -3.850 223 HE ARG 325 HE ARG 325 -4.393 -11.396 -2.758 224 HH11 ARG 325 2HH1 ARG 325 -5.747 -8.318 -1.858 225 HH12 ARG 325 1HH1 ARG 325 -7.086 -9.010 -1.003 226 HH21 ARG 325 2HH2 ARG 325 -6.152 -12.319 -1.636 227 HH22 ARG 325 1HH2 ARG 325 -7.315 -11.285 -0.877 228 HA PRO 326 HA PRO 326 -0.906 -5.049 -6.679 229 HB2 PRO 326 3HB PRO 326 -3.427 -4.613 -7.660 230 HB3 PRO 326 2HB PRO 326 -2.424 -5.985 -8.128 231 HG2 PRO 326 3HG PRO 326 -4.610 -5.840 -6.081 232 HG3 PRO 326 2HG PRO 326 -4.309 -7.095 -7.339 233 HD2 PRO 326 3HD PRO 326 -3.633 -7.440 -4.733 234 HD3 PRO 326 2HD PRO 326 -2.684 -8.120 -6.067 235 H SER 327 HN SER 327 -2.301 -2.892 -7.293 236 HA SER 327 HA SER 327 -2.771 -1.547 -4.714 237 HB2 SER 327 1HB SER 327 -1.799 0.419 -5.546 238 HB3 SER 327 2HB SER 327 -0.767 -0.862 -6.207 239 HG SER 327 HG SER 327 -2.054 0.985 -7.554 Start of MODEL 13 1 H1 SER 299 HN SER 299 9.833 13.196 -3.286 2 HA SER 299 HA SER 299 7.251 12.297 -2.364 3 HB2 SER 299 1HB SER 299 8.194 13.571 -4.945 4 HB3 SER 299 2HB SER 299 6.512 13.093 -4.656 5 HG SER 299 HG SER 299 6.263 14.696 -3.278 6 H GLU 300 HN GLU 300 7.570 10.046 -2.157 7 HA GLU 300 HA GLU 300 7.737 8.612 -4.726 8 HB2 GLU 300 3HB GLU 300 8.596 6.671 -3.426 9 HB3 GLU 300 2HB GLU 300 9.671 8.078 -3.397 10 HG2 GLU 300 3HG GLU 300 7.692 7.648 -1.190 11 HG3 GLU 300 2HG GLU 300 9.227 6.768 -1.214 12 HE2 GLU 300 HE GLU 300 9.293 10.330 0.197 13 H HIS 301 HN HIS 301 5.316 9.631 -3.810 14 HA HIS 301 HA HIS 301 3.839 7.672 -2.346 15 HB2 HIS 301 3HB HIS 301 1.918 9.025 -2.751 16 HB3 HIS 301 2HB HIS 301 3.273 10.125 -2.477 17 HD1 HIS 301 1HD HIS 301 0.874 9.033 -5.105 18 HD2 HIS 301 2HD HIS 301 4.111 11.609 -4.722 19 HE1 HIS 301 1HE HIS 301 0.837 10.470 -7.168 20 HE2 HIS 301 2HE HIS 301 2.815 12.045 -6.936 21 H ARG 302 HN ARG 302 4.622 8.170 -5.684 22 HA ARG 302 HA ARG 302 2.849 5.932 -6.414 23 HB2 ARG 302 3HB ARG 302 2.762 6.847 -8.683 24 HB3 ARG 302 2HB ARG 302 2.169 8.020 -7.496 25 HG2 ARG 302 3HG ARG 302 3.878 9.470 -7.841 26 HG3 ARG 302 2HG ARG 302 5.035 8.179 -8.207 27 HD2 ARG 302 3HD ARG 302 4.492 8.111 -10.424 28 HD3 ARG 302 2HD ARG 302 2.812 8.576 -10.124 29 HE ARG 302 HE ARG 302 4.713 10.680 -9.620 30 HH11 ARG 302 2HH1 ARG 302 2.713 9.116 -12.003 31 HH12 ARG 302 1HH1 ARG 302 2.637 10.501 -13.040 32 HH21 ARG 302 2HH2 ARG 302 4.620 12.512 -10.977 33 HH22 ARG 302 1HH2 ARG 302 3.723 12.432 -12.455 34 H LYS 303 HN LYS 303 5.632 5.902 -5.397 35 HA LYS 303 HA LYS 303 6.852 4.474 -7.665 36 HB2 LYS 303 3HB LYS 303 8.290 6.179 -5.616 37 HB3 LYS 303 2HB LYS 303 9.066 5.224 -6.889 38 HG2 LYS 303 3HG LYS 303 7.030 7.270 -7.657 39 HG3 LYS 303 2HG LYS 303 8.662 7.789 -7.197 40 HD2 LYS 303 3HD LYS 303 9.093 7.473 -9.396 41 HD3 LYS 303 2HD LYS 303 9.278 5.786 -8.888 42 HE2 LYS 303 3HE LYS 303 7.321 5.121 -9.851 43 HE3 LYS 303 2HE LYS 303 6.536 6.679 -9.553 44 HZ1 LYS 303 3HZ LYS 303 7.012 7.324 -11.603 45 HZ2 LYS 303 1HZ LYS 303 7.623 5.780 -11.931 46 HZ3 LYS 303 2HZ LYS 303 8.659 7.003 -11.392 47 H GLN 304 HN GLN 304 6.974 4.898 -4.131 48 HA GLN 304 HA GLN 304 7.985 2.192 -3.808 49 HB2 GLN 304 3HB GLN 304 7.640 4.572 -2.042 50 HB3 GLN 304 2HB GLN 304 7.674 2.971 -1.287 51 HG2 GLN 304 3HG GLN 304 9.825 4.190 -3.017 52 HG3 GLN 304 2HG GLN 304 9.879 3.940 -1.267 53 HE21 GLN 304 1HE2 GLN 304 10.278 1.916 -0.448 54 HE22 GLN 304 2HE2 GLN 304 10.796 0.591 -1.426 55 HA PRO 305 HA PRO 305 4.195 0.214 -2.832 56 HB2 PRO 305 3HB PRO 305 4.902 -1.448 -0.775 57 HB3 PRO 305 2HB PRO 305 5.401 -1.703 -2.447 58 HG2 PRO 305 3HG PRO 305 6.900 -0.415 -0.191 59 HG3 PRO 305 2HG PRO 305 7.475 -1.623 -1.399 60 HD2 PRO 305 3HD PRO 305 8.035 1.025 -1.596 61 HD3 PRO 305 2HD PRO 305 7.784 -0.008 -3.013 62 H CYS 306 HN CYS 306 2.904 -0.550 -0.719 63 HA CYS 306 HA CYS 306 1.846 1.702 0.469 64 HB2 CYS 306 3HB CYS 306 1.559 -1.149 0.735 65 HB3 CYS 306 2HB CYS 306 1.523 -0.400 2.332 66 HA PRO 307 HA PRO 307 4.552 2.980 3.678 67 HB2 PRO 307 3HB PRO 307 2.780 3.830 5.587 68 HB3 PRO 307 2HB PRO 307 3.080 4.698 4.081 69 HG2 PRO 307 3HG PRO 307 0.881 2.777 4.763 70 HG3 PRO 307 2HG PRO 307 0.783 4.371 3.926 71 HD2 PRO 307 3HD PRO 307 0.703 2.009 2.592 72 HD3 PRO 307 2HD PRO 307 1.449 3.466 1.914 73 H TYR 308 HN TYR 308 1.934 0.801 4.630 74 HA TYR 308 HA TYR 308 3.713 -0.319 6.697 75 HB2 TYR 308 3HB TYR 308 0.735 0.117 6.680 76 HB3 TYR 308 2HB TYR 308 1.457 -1.122 7.709 77 HD1 TYR 308 2HD TYR 308 3.648 -0.183 9.035 78 HD2 TYR 308 1HD TYR 308 0.324 2.133 7.734 79 HE1 TYR 308 2HE TYR 308 4.154 1.500 10.754 80 HE2 TYR 308 1HE TYR 308 0.822 3.823 9.450 81 HH TYR 308 HH TYR 308 3.719 3.975 11.091 82 H GLY 309 HN GLY 309 1.165 -1.057 4.340 83 HA2 GLY 309 2HA GLY 309 0.825 -2.926 3.044 84 HA3 GLY 309 3HA GLY 309 2.452 -3.432 3.474 85 H LYS 310 HN LYS 310 2.725 -5.044 4.916 86 HA LYS 310 HA LYS 310 0.607 -6.756 5.534 87 HB2 LYS 310 3HB LYS 310 2.246 -7.782 7.180 88 HB3 LYS 310 2HB LYS 310 2.787 -7.678 5.497 89 HG2 LYS 310 3HG LYS 310 4.220 -5.847 5.961 90 HG3 LYS 310 2HG LYS 310 3.513 -5.629 7.572 91 HD2 LYS 310 3HD LYS 310 4.603 -7.462 8.463 92 HD3 LYS 310 2HD LYS 310 4.781 -8.243 6.881 93 HE2 LYS 310 3HE LYS 310 6.638 -6.999 6.308 94 HE3 LYS 310 2HE LYS 310 6.177 -5.655 7.362 95 HZ1 LYS 310 3HZ LYS 310 6.596 -7.447 9.210 96 HZ2 LYS 310 1HZ LYS 310 7.874 -6.548 8.560 97 HZ3 LYS 310 2HZ LYS 310 7.593 -8.128 8.026 98 H LYS 311 HN LYS 311 1.965 -4.060 7.292 99 HA LYS 311 HA LYS 311 0.415 -4.662 9.678 100 HB2 LYS 311 3HB LYS 311 2.356 -2.454 8.978 101 HB3 LYS 311 2HB LYS 311 1.458 -2.504 10.503 102 HG2 LYS 311 3HG LYS 311 2.598 -4.377 11.277 103 HG3 LYS 311 2HG LYS 311 3.135 -4.830 9.650 104 HD2 LYS 311 3HD LYS 311 4.596 -2.848 9.579 105 HD3 LYS 311 2HD LYS 311 4.078 -2.431 11.222 106 HE2 LYS 311 3HE LYS 311 6.105 -3.534 11.569 107 HE3 LYS 311 2HE LYS 311 4.891 -4.790 11.856 108 HZ1 LYS 311 3HZ LYS 311 5.641 -5.985 10.155 109 HZ2 LYS 311 1HZ LYS 311 6.996 -4.972 10.144 110 HZ3 LYS 311 2HZ LYS 311 5.695 -4.655 9.112 111 H CYS 312 HN CYS 312 0.120 -2.848 6.796 112 HA CYS 312 HA CYS 312 -1.426 -0.678 7.506 113 HB2 CYS 312 3HB CYS 312 -0.566 -1.283 5.205 114 HB3 CYS 312 2HB CYS 312 -1.935 -2.389 5.069 115 H THR 313 HN THR 313 -3.637 -0.298 7.724 116 HA THR 313 HA THR 313 -5.121 -2.520 8.843 117 HB THR 313 HB THR 313 -6.862 -0.761 9.319 118 HG1 THR 313 1HG THR 313 -4.842 1.080 8.535 119 HG21 THR 313 3HG2 THR 313 -4.060 -0.661 10.348 120 HG22 THR 313 1HG2 THR 313 -5.539 -1.166 11.164 121 HG23 THR 313 2HG2 THR 313 -5.220 0.548 10.897 122 H TYR 314 HN TYR 314 -5.283 -0.392 6.041 123 HA TYR 314 HA TYR 314 -7.828 -1.129 5.118 124 HB2 TYR 314 3HB TYR 314 -5.494 -0.380 3.350 125 HB3 TYR 314 2HB TYR 314 -7.213 -0.126 3.039 126 HD1 TYR 314 1HD TYR 314 -8.238 1.091 5.439 127 HD2 TYR 314 2HD TYR 314 -4.492 1.711 3.520 128 HE1 TYR 314 1HE TYR 314 -8.114 3.341 6.424 129 HE2 TYR 314 2HE TYR 314 -4.357 3.962 4.500 130 HH TYR 314 HH TYR 314 -5.248 5.362 6.031 131 H GLY 315 HN GLY 315 -4.634 -2.280 4.004 132 HA2 GLY 315 2HA GLY 315 -3.989 -4.364 3.257 133 HA3 GLY 315 3HA GLY 315 -5.534 -4.987 3.813 134 H ILE 316 HN ILE 316 -7.416 -4.607 2.414 135 HA ILE 316 HA ILE 316 -6.634 -4.876 -0.393 136 HB ILE 316 HB ILE 316 -9.318 -5.430 0.874 137 HG12 ILE 316 1HG1 ILE 316 -7.597 -6.910 1.779 138 HG13 ILE 316 2HG1 ILE 316 -8.694 -7.803 0.714 139 HG21 ILE 316 1HG2 ILE 316 -8.194 -5.858 -1.873 140 HG22 ILE 316 2HG2 ILE 316 -9.542 -6.819 -1.270 141 HG23 ILE 316 3HG2 ILE 316 -9.699 -5.068 -1.403 142 HD11 ILE 316 3HD1 ILE 316 -6.400 -8.488 0.348 143 HD12 ILE 316 1HD1 ILE 316 -7.051 -7.695 -1.087 144 HD13 ILE 316 2HD1 ILE 316 -5.947 -6.823 -0.023 145 H LYS 317 HN LYS 317 -8.279 -2.750 1.775 146 HA LYS 317 HA LYS 317 -9.413 -1.204 -0.440 147 HB2 LYS 317 3HB LYS 317 -10.640 0.034 1.271 148 HB3 LYS 317 2HB LYS 317 -10.907 -1.709 1.437 149 HG2 LYS 317 3HG LYS 317 -9.062 -1.673 3.197 150 HG3 LYS 317 2HG LYS 317 -9.240 0.090 3.163 151 HD2 LYS 317 3HD LYS 317 -11.794 -0.463 3.470 152 HD3 LYS 317 2HD LYS 317 -11.160 -1.991 4.105 153 HE2 LYS 317 3HE LYS 317 -9.803 -0.776 5.740 154 HE3 LYS 317 2HE LYS 317 -10.395 0.758 5.088 155 HZ1 LYS 317 3HZ LYS 317 -11.922 0.560 6.694 156 HZ2 LYS 317 1HZ LYS 317 -11.694 -1.106 6.873 157 HZ3 LYS 317 2HZ LYS 317 -12.689 -0.516 5.639 158 H CYS 318 HN CYS 318 -6.514 -1.352 0.280 159 HA CYS 318 HA CYS 318 -5.881 1.265 1.329 160 HB2 CYS 318 3HB CYS 318 -4.509 -0.848 1.697 161 HB3 CYS 318 2HB CYS 318 -3.976 -0.678 0.023 162 H ARG 319 HN ARG 319 -4.854 2.941 0.196 163 HA ARG 319 HA ARG 319 -5.639 3.111 -2.591 164 HB2 ARG 319 3HB ARG 319 -4.266 5.168 -0.844 165 HB3 ARG 319 2HB ARG 319 -5.012 5.458 -2.423 166 HG2 ARG 319 3HG ARG 319 -7.209 4.943 -1.530 167 HG3 ARG 319 2HG ARG 319 -6.489 4.563 0.043 168 HD2 ARG 319 3HD ARG 319 -7.522 6.856 -0.137 169 HD3 ARG 319 2HD ARG 319 -5.836 6.816 0.396 170 HE ARG 319 HE ARG 319 -5.234 7.930 -1.514 171 HH11 ARG 319 2HH1 ARG 319 -8.467 6.692 -1.875 172 HH12 ARG 319 1HH1 ARG 319 -8.765 7.537 -3.358 173 HH21 ARG 319 2HH2 ARG 319 -5.614 9.049 -3.466 174 HH22 ARG 319 1HH2 ARG 319 -7.142 8.876 -4.261 175 H PHE 320 HN PHE 320 -2.754 2.695 -0.700 176 HA PHE 320 HA PHE 320 -0.959 3.297 -2.878 177 HB2 PHE 320 3HB PHE 320 -0.722 2.585 -0.019 178 HB3 PHE 320 2HB PHE 320 0.587 1.999 -1.047 179 HD1 PHE 320 1HD PHE 320 -1.329 5.126 -0.383 180 HD2 PHE 320 2HD PHE 320 2.392 3.362 -1.458 181 HE1 PHE 320 1HE PHE 320 -0.265 7.344 -0.327 182 HE2 PHE 320 2HE PHE 320 3.462 5.577 -1.402 183 HZ PHE 320 HZ PHE 320 2.134 7.571 -0.835 184 H PHE 321 HN PHE 321 0.839 1.554 -3.252 185 HA PHE 321 HA PHE 321 -0.544 -0.790 -4.262 186 HB2 PHE 321 3HB PHE 321 0.940 0.274 -5.811 187 HB3 PHE 321 2HB PHE 321 2.261 0.261 -4.641 188 HD1 PHE 321 2HD PHE 321 -0.057 -2.251 -6.147 189 HD2 PHE 321 1HD PHE 321 3.928 -1.249 -5.038 190 HE1 PHE 321 2HE PHE 321 0.727 -4.412 -7.024 191 HE2 PHE 321 1HE PHE 321 4.719 -3.408 -5.914 192 HZ PHE 321 HZ PHE 321 3.118 -4.993 -6.909 193 H HIS 322 HN HIS 322 -0.726 -2.550 -3.059 194 HA HIS 322 HA HIS 322 1.015 -2.994 -0.793 195 HB2 HIS 322 3HB HIS 322 -1.526 -4.151 -1.817 196 HB3 HIS 322 2HB HIS 322 -0.511 -5.206 -0.827 197 HD1 HIS 322 1HD HIS 322 -0.615 -4.907 1.653 198 HD2 HIS 322 2HD HIS 322 -2.330 -1.727 -0.398 199 HE1 HIS 322 1HE HIS 322 -1.700 -3.477 3.415 200 HE2 HIS 322 2HE HIS 322 -2.747 -1.533 2.162 201 HA PRO 323 HA PRO 323 3.834 -5.816 -2.621 202 HB2 PRO 323 3HB PRO 323 4.311 -7.531 -0.539 203 HB3 PRO 323 2HB PRO 323 4.911 -5.874 -0.592 204 HG2 PRO 323 3HG PRO 323 2.477 -6.972 0.774 205 HG3 PRO 323 2HG PRO 323 3.717 -5.823 1.402 206 HD2 PRO 323 3HD PRO 323 1.286 -5.012 0.509 207 HD3 PRO 323 2HD PRO 323 2.751 -4.035 0.316 208 H GLU 324 HN GLU 324 0.890 -7.047 -1.204 209 HA GLU 324 HA GLU 324 1.178 -9.548 -2.722 210 HB2 GLU 324 3HB GLU 324 -0.902 -8.960 -0.614 211 HB3 GLU 324 2HB GLU 324 -0.416 -10.535 -1.259 212 HG2 GLU 324 3HG GLU 324 1.918 -9.381 -0.204 213 HG3 GLU 324 2HG GLU 324 0.633 -9.087 0.977 214 HE2 GLU 324 HE GLU 324 0.158 -12.636 1.278 215 H ARG 325 HN ARG 325 0.127 -6.647 -3.381 216 HA ARG 325 HA ARG 325 -2.407 -7.501 -4.608 217 HB2 ARG 325 3HB ARG 325 -1.380 -4.850 -3.652 218 HB3 ARG 325 2HB ARG 325 -2.618 -4.908 -4.916 219 HG2 ARG 325 3HG ARG 325 -3.001 -6.425 -2.359 220 HG3 ARG 325 2HG ARG 325 -3.341 -4.689 -2.446 221 HD2 ARG 325 3HD ARG 325 -4.524 -6.740 -4.328 222 HD3 ARG 325 2HD ARG 325 -5.322 -6.154 -2.861 223 HE ARG 325 HE ARG 325 -5.187 -4.820 -5.361 224 HH11 ARG 325 2HH1 ARG 325 -5.179 -4.258 -1.925 225 HH12 ARG 325 1HH1 ARG 325 -5.843 -2.664 -2.052 226 HH21 ARG 325 2HH2 ARG 325 -6.063 -2.721 -5.541 227 HH22 ARG 325 1HH2 ARG 325 -6.347 -1.790 -4.109 228 HA PRO 326 HA PRO 326 -0.793 -7.144 -8.671 229 HB2 PRO 326 3HB PRO 326 -2.911 -6.079 -10.044 230 HB3 PRO 326 2HB PRO 326 -2.875 -7.737 -9.442 231 HG2 PRO 326 3HG PRO 326 -4.123 -5.297 -8.222 232 HG3 PRO 326 2HG PRO 326 -4.804 -6.956 -8.406 233 HD2 PRO 326 3HD PRO 326 -3.780 -6.044 -6.063 234 HD3 PRO 326 2HD PRO 326 -3.655 -7.738 -6.567 235 H SER 327 HN SER 327 0.166 -5.728 -10.120 236 HA SER 327 HA SER 327 0.321 -2.952 -9.209 237 HB2 SER 327 1HB SER 327 2.353 -2.793 -10.545 238 HB3 SER 327 2HB SER 327 2.428 -4.228 -9.507 239 HG SER 327 HG SER 327 2.926 -4.317 -11.952 Start of MODEL 14 1 H1 SER 299 HN SER 299 7.620 14.082 -2.564 2 HA SER 299 HA SER 299 8.266 11.765 -1.259 3 HB2 SER 299 1HB SER 299 5.423 12.184 -2.142 4 HB3 SER 299 2HB SER 299 6.043 11.640 -0.574 5 HG SER 299 HG SER 299 5.261 14.001 -1.034 6 H GLU 300 HN GLU 300 7.144 9.593 -1.501 7 HA GLU 300 HA GLU 300 7.496 8.700 -4.273 8 HB2 GLU 300 3HB GLU 300 7.452 7.124 -1.687 9 HB3 GLU 300 2HB GLU 300 7.712 6.437 -3.297 10 HG2 GLU 300 3HG GLU 300 9.859 6.616 -2.452 11 HG3 GLU 300 2HG GLU 300 9.691 8.064 -3.452 12 HE2 GLU 300 HE GLU 300 10.848 9.703 -0.643 13 H HIS 301 HN HIS 301 5.215 9.880 -4.285 14 HA HIS 301 HA HIS 301 2.931 8.703 -3.266 15 HB2 HIS 301 3HB HIS 301 3.490 10.290 -5.754 16 HB3 HIS 301 2HB HIS 301 1.880 9.612 -5.489 17 HD1 HIS 301 1HD HIS 301 1.014 12.105 -5.342 18 HD2 HIS 301 2HD HIS 301 3.579 10.931 -2.292 19 HE1 HIS 301 1HE HIS 301 0.756 13.840 -3.540 20 HE2 HIS 301 2HE HIS 301 2.323 13.123 -1.676 21 H ARG 302 HN ARG 302 4.591 7.983 -6.325 22 HA ARG 302 HA ARG 302 3.242 5.373 -6.340 23 HB2 ARG 302 3HB ARG 302 3.115 5.522 -8.830 24 HB3 ARG 302 2HB ARG 302 2.078 6.681 -7.983 25 HG2 ARG 302 3HG ARG 302 2.958 8.278 -9.244 26 HG3 ARG 302 2HG ARG 302 4.477 8.034 -8.365 27 HD2 ARG 302 3HD ARG 302 4.810 7.913 -10.797 28 HD3 ARG 302 2HD ARG 302 5.189 6.381 -9.997 29 HE ARG 302 HE ARG 302 2.493 6.537 -10.991 30 HH11 ARG 302 2HH1 ARG 302 5.794 5.735 -11.751 31 HH12 ARG 302 1HH1 ARG 302 5.372 4.662 -13.045 32 HH21 ARG 302 2HH2 ARG 302 1.925 5.128 -12.692 33 HH22 ARG 302 1HH2 ARG 302 3.172 4.318 -13.580 34 H LYS 303 HN LYS 303 5.910 6.227 -5.467 35 HA LYS 303 HA LYS 303 7.580 4.804 -7.430 36 HB2 LYS 303 3HB LYS 303 8.434 6.696 -5.225 37 HB3 LYS 303 2HB LYS 303 9.501 5.929 -6.412 38 HG2 LYS 303 3HG LYS 303 7.259 7.514 -7.512 39 HG3 LYS 303 2HG LYS 303 8.538 8.414 -6.678 40 HD2 LYS 303 3HD LYS 303 10.224 7.277 -8.105 41 HD3 LYS 303 2HD LYS 303 8.896 6.504 -8.987 42 HE2 LYS 303 3HE LYS 303 8.013 8.888 -9.388 43 HE3 LYS 303 2HE LYS 303 9.621 9.415 -8.875 44 HZ1 LYS 303 3HZ LYS 303 8.942 8.752 -11.399 45 HZ2 LYS 303 1HZ LYS 303 9.666 7.323 -10.854 46 HZ3 LYS 303 2HZ LYS 303 10.524 8.780 -10.800 47 H GLN 304 HN GLN 304 6.609 4.968 -4.066 48 HA GLN 304 HA GLN 304 8.081 2.465 -3.564 49 HB2 GLN 304 3HB GLN 304 7.508 4.848 -1.860 50 HB3 GLN 304 2HB GLN 304 7.588 3.262 -1.078 51 HG2 GLN 304 3HG GLN 304 9.764 4.563 -2.717 52 HG3 GLN 304 2HG GLN 304 9.731 4.368 -0.959 53 HE21 GLN 304 1HE2 GLN 304 10.190 2.394 -0.054 54 HE22 GLN 304 2HE2 GLN 304 10.837 1.072 -0.957 55 HA PRO 305 HA PRO 305 4.349 0.303 -2.772 56 HB2 PRO 305 3HB PRO 305 5.024 -1.290 -0.649 57 HB3 PRO 305 2HB PRO 305 5.631 -1.541 -2.286 58 HG2 PRO 305 3HG PRO 305 6.929 -0.144 0.029 59 HG3 PRO 305 2HG PRO 305 7.635 -1.338 -1.124 60 HD2 PRO 305 3HD PRO 305 8.066 1.335 -1.334 61 HD3 PRO 305 2HD PRO 305 7.951 0.270 -2.746 62 H CYS 306 HN CYS 306 2.980 -0.497 -0.725 63 HA CYS 306 HA CYS 306 1.741 1.712 0.364 64 HB2 CYS 306 3HB CYS 306 1.601 -1.152 0.678 65 HB3 CYS 306 2HB CYS 306 1.399 -0.362 2.243 66 HA PRO 307 HA PRO 307 4.159 3.164 3.725 67 HB2 PRO 307 3HB PRO 307 2.237 3.866 5.546 68 HB3 PRO 307 2HB PRO 307 2.544 4.764 4.059 69 HG2 PRO 307 3HG PRO 307 0.465 2.678 4.628 70 HG3 PRO 307 2HG PRO 307 0.289 4.266 3.791 71 HD2 PRO 307 3HD PRO 307 0.451 1.912 2.449 72 HD3 PRO 307 2HD PRO 307 1.118 3.425 1.812 73 H TYR 308 HN TYR 308 1.696 0.759 4.509 74 HA TYR 308 HA TYR 308 3.429 -0.211 6.687 75 HB2 TYR 308 3HB TYR 308 0.422 -0.122 6.461 76 HB3 TYR 308 2HB TYR 308 1.235 -1.210 7.589 77 HD1 TYR 308 1HD TYR 308 3.365 0.270 8.760 78 HD2 TYR 308 2HD TYR 308 -0.499 1.652 7.637 79 HE1 TYR 308 1HE TYR 308 3.531 2.071 10.427 80 HE2 TYR 308 2HE TYR 308 -0.344 3.457 9.300 81 HH TYR 308 HH TYR 308 0.844 3.993 11.328 82 H GLY 309 HN GLY 309 1.126 -1.161 4.162 83 HA2 GLY 309 2HA GLY 309 1.094 -3.026 2.811 84 HA3 GLY 309 3HA GLY 309 2.694 -3.422 3.421 85 H LYS 310 HN LYS 310 2.898 -5.097 4.773 86 HA LYS 310 HA LYS 310 0.768 -6.863 5.224 87 HB2 LYS 310 3HB LYS 310 2.353 -7.963 6.859 88 HB3 LYS 310 2HB LYS 310 2.968 -7.756 5.211 89 HG2 LYS 310 3HG LYS 310 4.362 -5.947 5.843 90 HG3 LYS 310 2HG LYS 310 3.578 -5.820 7.427 91 HD2 LYS 310 3HD LYS 310 4.822 -8.432 6.731 92 HD3 LYS 310 2HD LYS 310 5.906 -7.074 7.081 93 HE2 LYS 310 3HE LYS 310 5.627 -8.008 9.184 94 HE3 LYS 310 2HE LYS 310 4.395 -6.737 9.169 95 HZ1 LYS 310 3HZ LYS 310 2.746 -8.226 9.251 96 HZ2 LYS 310 1HZ LYS 310 3.930 -9.309 9.786 97 HZ3 LYS 310 2HZ LYS 310 3.484 -9.282 8.155 98 H LYS 311 HN LYS 311 2.136 -4.302 7.197 99 HA LYS 311 HA LYS 311 0.522 -4.993 9.499 100 HB2 LYS 311 3HB LYS 311 2.341 -2.643 8.926 101 HB3 LYS 311 2HB LYS 311 1.500 -2.901 10.464 102 HG2 LYS 311 3HG LYS 311 2.724 -4.921 10.881 103 HG3 LYS 311 2HG LYS 311 3.456 -4.851 9.268 104 HD2 LYS 311 3HD LYS 311 4.513 -2.676 9.900 105 HD3 LYS 311 2HD LYS 311 3.893 -2.918 11.543 106 HE2 LYS 311 3HE LYS 311 5.301 -4.719 11.965 107 HE3 LYS 311 2HE LYS 311 5.525 -5.058 10.242 108 HZ1 LYS 311 3HZ LYS 311 7.356 -3.842 10.267 109 HZ2 LYS 311 1HZ LYS 311 7.152 -3.531 11.917 110 HZ3 LYS 311 2HZ LYS 311 6.489 -2.480 10.771 111 H CYS 312 HN CYS 312 0.117 -3.215 6.647 112 HA CYS 312 HA CYS 312 -1.443 -1.055 7.357 113 HB2 CYS 312 3HB CYS 312 -0.632 -1.896 5.027 114 HB3 CYS 312 2HB CYS 312 -2.177 -2.748 4.988 115 H THR 313 HN THR 313 -3.753 -0.742 7.344 116 HA THR 313 HA THR 313 -5.138 -2.965 8.639 117 HB THR 313 HB THR 313 -6.890 -1.226 9.147 118 HG1 THR 313 1HG THR 313 -6.677 0.512 7.943 119 HG21 THR 313 3HG2 THR 313 -4.346 -0.133 10.208 120 HG22 THR 313 1HG2 THR 313 -4.669 -1.840 10.502 121 HG23 THR 313 2HG2 THR 313 -5.812 -0.618 11.059 122 H TYR 314 HN TYR 314 -5.470 -0.774 5.885 123 HA TYR 314 HA TYR 314 -7.990 -1.736 5.026 124 HB2 TYR 314 3HB TYR 314 -5.776 -0.291 3.554 125 HB3 TYR 314 2HB TYR 314 -7.350 -0.650 2.840 126 HD1 TYR 314 1HD TYR 314 -9.332 -0.018 4.734 127 HD2 TYR 314 2HD TYR 314 -5.612 1.949 4.109 128 HE1 TYR 314 1HE TYR 314 -10.270 2.045 5.690 129 HE2 TYR 314 2HE TYR 314 -6.538 4.018 5.065 130 HH TYR 314 HH TYR 314 -8.395 4.640 6.656 131 H GLY 315 HN GLY 315 -4.729 -2.311 3.688 132 HA2 GLY 315 2HA GLY 315 -3.836 -4.237 2.771 133 HA3 GLY 315 3HA GLY 315 -5.296 -5.091 3.247 134 H ILE 316 HN ILE 316 -7.290 -4.411 1.908 135 HA ILE 316 HA ILE 316 -6.504 -4.604 -0.906 136 HB ILE 316 HB ILE 316 -9.233 -5.034 0.314 137 HG12 ILE 316 1HG1 ILE 316 -7.191 -7.093 -0.558 138 HG13 ILE 316 2HG1 ILE 316 -7.501 -6.642 1.126 139 HG21 ILE 316 1HG2 ILE 316 -9.034 -6.458 -2.050 140 HG22 ILE 316 2HG2 ILE 316 -9.898 -4.940 -1.810 141 HG23 ILE 316 3HG2 ILE 316 -8.239 -4.924 -2.407 142 HD11 ILE 316 3HD1 ILE 316 -8.854 -8.561 -0.474 143 HD12 ILE 316 1HD1 ILE 316 -9.091 -8.168 1.228 144 HD13 ILE 316 2HD1 ILE 316 -9.994 -7.297 -0.013 145 H LYS 317 HN LYS 317 -8.064 -2.492 1.348 146 HA LYS 317 HA LYS 317 -9.234 -0.825 -0.720 147 HB2 LYS 317 3HB LYS 317 -9.047 0.061 2.127 148 HB3 LYS 317 2HB LYS 317 -10.364 0.271 0.962 149 HG2 LYS 317 3HG LYS 317 -10.470 -2.387 1.209 150 HG3 LYS 317 2HG LYS 317 -9.798 -1.976 2.796 151 HD2 LYS 317 3HD LYS 317 -11.711 -0.187 2.837 152 HD3 LYS 317 2HD LYS 317 -12.441 -1.238 1.610 153 HE2 LYS 317 3HE LYS 317 -11.410 -2.428 4.165 154 HE3 LYS 317 2HE LYS 317 -12.980 -1.611 4.134 155 HZ1 LYS 317 3HZ LYS 317 -13.802 -3.533 3.424 156 HZ2 LYS 317 1HZ LYS 317 -12.268 -4.187 3.137 157 HZ3 LYS 317 2HZ LYS 317 -13.026 -3.253 1.948 158 H CYS 318 HN CYS 318 -6.313 -1.042 1.072 159 HA CYS 318 HA CYS 318 -5.436 1.566 1.235 160 HB2 CYS 318 3HB CYS 318 -4.245 -0.430 2.128 161 HB3 CYS 318 2HB CYS 318 -3.741 -0.824 0.483 162 H ARG 319 HN ARG 319 -5.467 3.066 -0.300 163 HA ARG 319 HA ARG 319 -5.673 2.680 -3.026 164 HB2 ARG 319 3HB ARG 319 -4.607 4.975 -1.392 165 HB3 ARG 319 2HB ARG 319 -4.664 5.049 -3.159 166 HG2 ARG 319 3HG ARG 319 -7.092 4.668 -3.098 167 HG3 ARG 319 2HG ARG 319 -7.020 4.645 -1.328 168 HD2 ARG 319 3HD ARG 319 -7.699 6.834 -1.885 169 HD3 ARG 319 2HD ARG 319 -5.981 6.957 -1.480 170 HE ARG 319 HE ARG 319 -6.027 6.583 -4.190 171 HH11 ARG 319 2HH1 ARG 319 -7.421 8.881 -1.977 172 HH12 ARG 319 1HH1 ARG 319 -7.410 10.184 -3.120 173 HH21 ARG 319 2HH2 ARG 319 -6.007 8.291 -5.702 174 HH22 ARG 319 1HH2 ARG 319 -6.607 9.847 -5.238 175 H PHE 320 HN PHE 320 -2.761 3.048 -1.055 176 HA PHE 320 HA PHE 320 -0.888 3.197 -3.127 177 HB2 PHE 320 3HB PHE 320 -0.822 2.478 -0.241 178 HB3 PHE 320 2HB PHE 320 0.558 1.975 -1.219 179 HD1 PHE 320 2HD PHE 320 -1.517 5.001 -0.561 180 HD2 PHE 320 1HD PHE 320 2.321 3.422 -1.506 181 HE1 PHE 320 2HE PHE 320 -0.551 7.257 -0.393 182 HE2 PHE 320 1HE PHE 320 3.293 5.676 -1.339 183 HZ PHE 320 HZ PHE 320 1.857 7.597 -0.783 184 H PHE 321 HN PHE 321 0.851 1.404 -3.394 185 HA PHE 321 HA PHE 321 -0.567 -0.973 -4.304 186 HB2 PHE 321 3HB PHE 321 0.998 0.253 -5.817 187 HB3 PHE 321 2HB PHE 321 2.322 -0.194 -4.741 188 HD1 PHE 321 2HD PHE 321 -0.387 -1.723 -6.779 189 HD2 PHE 321 1HD PHE 321 3.489 -2.161 -5.073 190 HE1 PHE 321 2HE PHE 321 -0.104 -3.852 -7.979 191 HE2 PHE 321 1HE PHE 321 3.778 -4.292 -6.271 192 HZ PHE 321 HZ PHE 321 1.980 -5.140 -7.725 193 H HIS 322 HN HIS 322 -0.442 -2.907 -3.355 194 HA HIS 322 HA HIS 322 1.264 -3.171 -0.994 195 HB2 HIS 322 3HB HIS 322 -1.251 -4.478 -1.942 196 HB3 HIS 322 2HB HIS 322 -0.197 -5.382 -0.850 197 HD1 HIS 322 1HD HIS 322 -0.231 -4.773 1.596 198 HD2 HIS 322 2HD HIS 322 -2.312 -2.063 -0.769 199 HE1 HIS 322 1HE HIS 322 -1.439 -3.264 3.206 200 HE2 HIS 322 2HE HIS 322 -2.710 -1.607 1.762 201 HA PRO 323 HA PRO 323 4.078 -5.997 -2.820 202 HB2 PRO 323 3HB PRO 323 4.614 -7.677 -0.724 203 HB3 PRO 323 2HB PRO 323 5.191 -6.014 -0.811 204 HG2 PRO 323 3HG PRO 323 2.796 -7.122 0.614 205 HG3 PRO 323 2HG PRO 323 4.032 -5.949 1.204 206 HD2 PRO 323 3HD PRO 323 1.575 -5.179 0.343 207 HD3 PRO 323 2HD PRO 323 3.026 -4.188 0.111 208 H GLU 324 HN GLU 324 1.341 -7.417 -1.092 209 HA GLU 324 HA GLU 324 1.523 -9.797 -2.809 210 HB2 GLU 324 3HB GLU 324 -0.066 -9.402 -0.262 211 HB3 GLU 324 2HB GLU 324 0.092 -10.911 -1.175 212 HG2 GLU 324 3HG GLU 324 2.499 -9.506 -0.059 213 HG3 GLU 324 2HG GLU 324 1.521 -10.605 0.926 214 HE2 GLU 324 HE GLU 324 2.789 -13.398 -0.657 215 H ARG 325 HN ARG 325 -0.442 -7.060 -1.983 216 HA ARG 325 HA ARG 325 -2.525 -8.004 -3.840 217 HB2 ARG 325 3HB ARG 325 -2.642 -6.372 -1.334 218 HB3 ARG 325 2HB ARG 325 -3.854 -6.098 -2.594 219 HG2 ARG 325 3HG ARG 325 -3.427 -8.923 -1.885 220 HG3 ARG 325 2HG ARG 325 -4.103 -7.906 -0.601 221 HD2 ARG 325 3HD ARG 325 -6.069 -8.428 -1.601 222 HD3 ARG 325 2HD ARG 325 -5.616 -7.085 -2.660 223 HE ARG 325 HE ARG 325 -5.445 -8.577 -4.370 224 HH11 ARG 325 2HH1 ARG 325 -5.074 -10.298 -1.366 225 HH12 ARG 325 1HH1 ARG 325 -4.991 -11.856 -2.119 226 HH21 ARG 325 2HH2 ARG 325 -5.338 -10.623 -5.372 227 HH22 ARG 325 1HH2 ARG 325 -5.141 -12.040 -4.397 228 HA PRO 326 HA PRO 326 -1.750 -4.655 -6.565 229 HB2 PRO 326 3HB PRO 326 -4.273 -3.965 -7.379 230 HB3 PRO 326 2HB PRO 326 -3.463 -5.451 -7.874 231 HG2 PRO 326 3HG PRO 326 -5.463 -5.016 -5.682 232 HG3 PRO 326 2HG PRO 326 -5.395 -6.326 -6.921 233 HD2 PRO 326 3HD PRO 326 -4.570 -6.687 -4.359 234 HD3 PRO 326 2HD PRO 326 -3.801 -7.496 -5.735 235 H SER 327 HN SER 327 -2.942 -2.372 -7.145 236 HA SER 327 HA SER 327 -2.912 -0.896 -4.604 237 HB2 SER 327 1HB SER 327 -2.537 1.108 -6.188 238 HB3 SER 327 2HB SER 327 -1.205 -0.042 -5.980 239 HG SER 327 HG SER 327 -2.962 0.240 -8.169 Start of MODEL 15 1 H1 SER 299 HN SER 299 7.580 13.887 -2.548 2 HA SER 299 HA SER 299 7.337 11.787 -0.512 3 HB2 SER 299 1HB SER 299 5.257 13.443 -1.966 4 HB3 SER 299 2HB SER 299 4.860 12.098 -0.882 5 HG SER 299 HG SER 299 5.578 14.642 -0.269 6 H GLU 300 HN GLU 300 7.311 9.731 -1.113 7 HA GLU 300 HA GLU 300 7.220 9.022 -3.905 8 HB2 GLU 300 3HB GLU 300 7.272 7.151 -1.532 9 HB3 GLU 300 2HB GLU 300 7.768 6.803 -3.195 10 HG2 GLU 300 3HG GLU 300 9.153 8.561 -1.180 11 HG3 GLU 300 2HG GLU 300 9.741 7.065 -1.917 12 HE2 GLU 300 HE GLU 300 10.078 10.434 -3.960 13 H HIS 301 HN HIS 301 5.150 9.455 -4.629 14 HA HIS 301 HA HIS 301 2.885 8.232 -3.271 15 HB2 HIS 301 3HB HIS 301 2.747 10.553 -4.167 16 HB3 HIS 301 2HB HIS 301 2.928 9.896 -5.796 17 HD1 HIS 301 1HD HIS 301 0.412 10.573 -3.224 18 HD2 HIS 301 2HD HIS 301 0.711 8.233 -6.644 19 HE1 HIS 301 1HE HIS 301 -1.948 9.936 -3.811 20 HE2 HIS 301 2HE HIS 301 -1.768 8.506 -5.902 21 H ARG 302 HN ARG 302 4.736 7.909 -6.243 22 HA ARG 302 HA ARG 302 3.382 5.346 -6.726 23 HB2 ARG 302 3HB ARG 302 3.401 5.750 -9.133 24 HB3 ARG 302 2HB ARG 302 2.467 6.996 -8.292 25 HG2 ARG 302 3HG ARG 302 3.939 8.661 -8.787 26 HG3 ARG 302 2HG ARG 302 5.327 7.560 -8.821 27 HD2 ARG 302 3HD ARG 302 4.886 8.347 -11.065 28 HD3 ARG 302 2HD ARG 302 4.501 6.624 -10.951 29 HE ARG 302 HE ARG 302 2.152 8.017 -10.444 30 HH11 ARG 302 2HH1 ARG 302 4.404 7.585 -13.063 31 HH12 ARG 302 1HH1 ARG 302 3.213 7.826 -14.298 32 HH21 ARG 302 2HH2 ARG 302 0.575 8.337 -12.060 33 HH22 ARG 302 1HH2 ARG 302 1.036 8.255 -13.728 34 H LYS 303 HN LYS 303 5.949 6.082 -5.475 35 HA LYS 303 HA LYS 303 7.791 4.775 -7.369 36 HB2 LYS 303 3HB LYS 303 8.596 6.457 -4.993 37 HB3 LYS 303 2HB LYS 303 9.612 5.919 -6.340 38 HG2 LYS 303 3HG LYS 303 7.338 7.897 -6.530 39 HG3 LYS 303 2HG LYS 303 9.067 8.288 -6.519 40 HD2 LYS 303 3HD LYS 303 7.756 6.508 -8.582 41 HD3 LYS 303 2HD LYS 303 8.025 8.247 -8.795 42 HE2 LYS 303 3HE LYS 303 10.041 6.026 -8.618 43 HE3 LYS 303 2HE LYS 303 9.870 7.295 -9.840 44 HZ1 LYS 303 3HZ LYS 303 10.399 8.843 -7.835 45 HZ2 LYS 303 1HZ LYS 303 11.652 8.052 -8.649 46 HZ3 LYS 303 2HZ LYS 303 11.088 7.447 -7.174 47 H GLN 304 HN GLN 304 7.085 5.089 -3.890 48 HA GLN 304 HA GLN 304 8.310 2.465 -3.443 49 HB2 GLN 304 3HB GLN 304 7.703 4.830 -1.723 50 HB3 GLN 304 2HB GLN 304 7.743 3.230 -0.964 51 HG2 GLN 304 3HG GLN 304 10.026 3.888 -2.721 52 HG3 GLN 304 2HG GLN 304 9.894 4.809 -1.217 53 HE21 GLN 304 1HE2 GLN 304 10.881 1.919 -2.631 54 HE22 GLN 304 2HE2 GLN 304 11.235 1.040 -1.187 55 HA PRO 305 HA PRO 305 4.526 0.340 -2.814 56 HB2 PRO 305 3HB PRO 305 5.109 -1.295 -0.696 57 HB3 PRO 305 2HB PRO 305 5.767 -1.529 -2.314 58 HG2 PRO 305 3HG PRO 305 7.001 -0.183 0.066 59 HG3 PRO 305 2HG PRO 305 7.733 -1.368 -1.081 60 HD2 PRO 305 3HD PRO 305 8.204 1.301 -1.233 61 HD3 PRO 305 2HD PRO 305 8.124 0.260 -2.665 62 H CYS 306 HN CYS 306 3.111 -0.499 -0.787 63 HA CYS 306 HA CYS 306 1.830 1.701 0.274 64 HB2 CYS 306 3HB CYS 306 1.703 -1.165 0.581 65 HB3 CYS 306 2HB CYS 306 1.462 -0.379 2.143 66 HA PRO 307 HA PRO 307 4.161 3.166 3.690 67 HB2 PRO 307 3HB PRO 307 2.193 3.855 5.466 68 HB3 PRO 307 2HB PRO 307 2.528 4.755 3.988 69 HG2 PRO 307 3HG PRO 307 0.451 2.656 4.507 70 HG3 PRO 307 2HG PRO 307 0.282 4.242 3.667 71 HD2 PRO 307 3HD PRO 307 0.492 1.891 2.328 72 HD3 PRO 307 2HD PRO 307 1.164 3.409 1.707 73 H TYR 308 HN TYR 308 1.694 0.746 4.418 74 HA TYR 308 HA TYR 308 3.384 -0.214 6.633 75 HB2 TYR 308 3HB TYR 308 0.376 -0.209 6.337 76 HB3 TYR 308 2HB TYR 308 1.214 -1.203 7.533 77 HD1 TYR 308 1HD TYR 308 2.456 -0.156 9.393 78 HD2 TYR 308 2HD TYR 308 0.145 2.163 6.675 79 HE1 TYR 308 1HE TYR 308 2.504 1.730 10.971 80 HE2 TYR 308 2HE TYR 308 0.188 4.057 8.245 81 HH TYR 308 HH TYR 308 0.642 3.984 11.200 82 H GLY 309 HN GLY 309 1.146 -1.177 4.055 83 HA2 GLY 309 2HA GLY 309 1.143 -3.046 2.711 84 HA3 GLY 309 3HA GLY 309 2.742 -3.421 3.336 85 H LYS 310 HN LYS 310 2.968 -4.848 5.034 86 HA LYS 310 HA LYS 310 0.906 -6.775 5.337 87 HB2 LYS 310 3HB LYS 310 2.436 -7.754 7.075 88 HB3 LYS 310 2HB LYS 310 3.169 -7.520 5.481 89 HG2 LYS 310 3HG LYS 310 4.373 -5.600 6.211 90 HG3 LYS 310 2HG LYS 310 3.481 -5.561 7.742 91 HD2 LYS 310 3HD LYS 310 4.939 -8.070 7.108 92 HD3 LYS 310 2HD LYS 310 5.916 -6.646 7.508 93 HE2 LYS 310 3HE LYS 310 5.583 -7.651 9.586 94 HE3 LYS 310 2HE LYS 310 4.339 -6.394 9.531 95 HZ1 LYS 310 3HZ LYS 310 3.858 -8.955 10.127 96 HZ2 LYS 310 1HZ LYS 310 3.522 -8.960 8.470 97 HZ3 LYS 310 2HZ LYS 310 2.696 -7.900 9.497 98 H LYS 311 HN LYS 311 2.014 -4.067 7.273 99 HA LYS 311 HA LYS 311 0.315 -4.754 9.511 100 HB2 LYS 311 3HB LYS 311 2.069 -2.366 8.911 101 HB3 LYS 311 2HB LYS 311 1.096 -2.514 10.384 102 HG2 LYS 311 3HG LYS 311 2.363 -4.297 11.204 103 HG3 LYS 311 2HG LYS 311 3.077 -4.625 9.615 104 HD2 LYS 311 3HD LYS 311 4.345 -2.554 9.706 105 HD3 LYS 311 2HD LYS 311 3.577 -2.136 11.247 106 HE2 LYS 311 3HE LYS 311 4.745 -3.751 12.436 107 HE3 LYS 311 2HE LYS 311 5.051 -4.722 10.989 108 HZ1 LYS 311 3HZ LYS 311 6.593 -3.008 10.221 109 HZ2 LYS 311 1HZ LYS 311 7.063 -3.641 11.719 110 HZ3 LYS 311 2HZ LYS 311 6.327 -2.120 11.637 111 H CYS 312 HN CYS 312 0.054 -2.982 6.595 112 HA CYS 312 HA CYS 312 -1.744 -0.974 7.179 113 HB2 CYS 312 3HB CYS 312 -0.627 -1.724 4.926 114 HB3 CYS 312 2HB CYS 312 -2.124 -2.633 4.712 115 H THR 313 HN THR 313 -3.650 -1.006 8.147 116 HA THR 313 HA THR 313 -5.091 -3.418 8.620 117 HB THR 313 HB THR 313 -6.812 -1.953 9.638 118 HG1 THR 313 1HG THR 313 -6.856 -0.022 8.734 119 HG21 THR 313 3HG2 THR 313 -4.161 -0.934 10.583 120 HG22 THR 313 1HG2 THR 313 -4.546 -2.648 10.732 121 HG23 THR 313 2HG2 THR 313 -5.564 -1.443 11.523 122 H TYR 314 HN TYR 314 -5.243 -0.921 6.212 123 HA TYR 314 HA TYR 314 -7.871 -1.253 5.309 124 HB2 TYR 314 3HB TYR 314 -5.509 -0.616 3.534 125 HB3 TYR 314 2HB TYR 314 -7.189 -0.121 3.318 126 HD1 TYR 314 1HD TYR 314 -7.895 0.856 6.006 127 HD2 TYR 314 2HD TYR 314 -4.338 1.404 3.737 128 HE1 TYR 314 1HE TYR 314 -7.459 2.958 7.208 129 HE2 TYR 314 2HE TYR 314 -3.891 3.506 4.932 130 HH TYR 314 HH TYR 314 -4.569 4.906 6.512 131 H GLY 315 HN GLY 315 -4.881 -2.666 3.955 132 HA2 GLY 315 2HA GLY 315 -4.524 -4.712 2.958 133 HA3 GLY 315 3HA GLY 315 -6.106 -5.211 3.541 134 H ILE 316 HN ILE 316 -7.988 -4.539 2.291 135 HA ILE 316 HA ILE 316 -7.367 -4.553 -0.570 136 HB ILE 316 HB ILE 316 -10.062 -4.974 0.718 137 HG12 ILE 316 1HG1 ILE 316 -8.478 -6.645 1.551 138 HG13 ILE 316 2HG1 ILE 316 -9.660 -7.381 0.455 139 HG21 ILE 316 1HG2 ILE 316 -9.041 -4.953 -2.024 140 HG22 ILE 316 2HG2 ILE 316 -10.019 -6.365 -1.627 141 HG23 ILE 316 3HG2 ILE 316 -10.685 -4.745 -1.423 142 HD11 ILE 316 3HD1 ILE 316 -8.002 -8.235 -0.723 143 HD12 ILE 316 1HD1 ILE 316 -7.479 -6.602 -1.139 144 HD13 ILE 316 2HD1 ILE 316 -6.818 -7.405 0.286 145 H LYS 317 HN LYS 317 -8.334 -2.426 1.861 146 HA LYS 317 HA LYS 317 -9.830 -0.671 0.077 147 HB2 LYS 317 3HB LYS 317 -9.079 0.159 2.842 148 HB3 LYS 317 2HB LYS 317 -10.584 0.426 1.949 149 HG2 LYS 317 3HG LYS 317 -9.697 -2.166 3.219 150 HG3 LYS 317 2HG LYS 317 -10.961 -1.072 3.809 151 HD2 LYS 317 3HD LYS 317 -11.695 -1.557 1.177 152 HD3 LYS 317 2HD LYS 317 -11.093 -3.122 1.753 153 HE2 LYS 317 3HE LYS 317 -12.701 -3.291 3.423 154 HE3 LYS 317 2HE LYS 317 -12.982 -1.543 3.450 155 HZ1 LYS 317 3HZ LYS 317 -13.924 -3.506 1.449 156 HZ2 LYS 317 1HZ LYS 317 -13.910 -1.845 1.131 157 HZ3 LYS 317 2HZ LYS 317 -14.845 -2.455 2.402 158 H CYS 318 HN CYS 318 -6.646 -1.096 1.280 159 HA CYS 318 HA CYS 318 -5.598 1.452 1.325 160 HB2 CYS 318 3HB CYS 318 -4.421 -0.712 1.889 161 HB3 CYS 318 2HB CYS 318 -4.174 -0.943 0.157 162 H ARG 319 HN ARG 319 -4.578 2.784 -0.199 163 HA ARG 319 HA ARG 319 -5.582 2.424 -2.933 164 HB2 ARG 319 3HB ARG 319 -4.864 4.789 -1.256 165 HB3 ARG 319 2HB ARG 319 -4.692 4.921 -3.013 166 HG2 ARG 319 3HG ARG 319 -7.105 4.095 -3.156 167 HG3 ARG 319 2HG ARG 319 -7.184 4.436 -1.419 168 HD2 ARG 319 3HD ARG 319 -6.205 6.519 -3.356 169 HD3 ARG 319 2HD ARG 319 -7.934 6.266 -3.077 170 HE ARG 319 HE ARG 319 -6.911 6.532 -0.573 171 HH11 ARG 319 2HH1 ARG 319 -6.767 8.452 -3.473 172 HH12 ARG 319 1HH1 ARG 319 -6.640 9.957 -2.625 173 HH21 ARG 319 2HH2 ARG 319 -6.744 8.508 0.554 174 HH22 ARG 319 1HH2 ARG 319 -6.626 9.988 -0.335 175 H PHE 320 HN PHE 320 -2.679 2.627 -1.049 176 HA PHE 320 HA PHE 320 -0.896 3.148 -3.213 177 HB2 PHE 320 3HB PHE 320 -0.677 2.483 -0.341 178 HB3 PHE 320 2HB PHE 320 0.677 1.952 -1.339 179 HD1 PHE 320 2HD PHE 320 -1.452 5.018 -1.208 180 HD2 PHE 320 1HD PHE 320 2.470 3.366 -1.273 181 HE1 PHE 320 2HE PHE 320 -0.500 7.286 -1.161 182 HE2 PHE 320 1HE PHE 320 3.429 5.632 -1.226 183 HZ PHE 320 HZ PHE 320 1.943 7.596 -1.171 184 H PHE 321 HN PHE 321 0.995 1.483 -3.515 185 HA PHE 321 HA PHE 321 -0.257 -0.935 -4.527 186 HB2 PHE 321 3HB PHE 321 1.321 0.405 -5.921 187 HB3 PHE 321 2HB PHE 321 2.612 -0.018 -4.795 188 HD1 PHE 321 1HD PHE 321 0.339 -1.334 -7.356 189 HD2 PHE 321 2HD PHE 321 3.621 -2.183 -4.783 190 HE1 PHE 321 1HE PHE 321 0.777 -3.408 -8.607 191 HE2 PHE 321 2HE PHE 321 4.066 -4.258 -6.029 192 HZ PHE 321 HZ PHE 321 2.643 -4.873 -7.944 193 H HIS 322 HN HIS 322 -0.226 -2.818 -3.501 194 HA HIS 322 HA HIS 322 1.457 -3.117 -1.136 195 HB2 HIS 322 3HB HIS 322 -1.019 -4.443 -2.165 196 HB3 HIS 322 2HB HIS 322 0.018 -5.342 -1.051 197 HD1 HIS 322 1HD HIS 322 -0.035 -4.709 1.399 198 HD2 HIS 322 2HD HIS 322 -2.199 -2.099 -1.003 199 HE1 HIS 322 1HE HIS 322 -1.320 -3.242 2.988 200 HE2 HIS 322 2HE HIS 322 -2.643 -1.647 1.520 201 HA PRO 323 HA PRO 323 4.344 -5.889 -2.932 202 HB2 PRO 323 3HB PRO 323 4.846 -7.592 -0.847 203 HB3 PRO 323 2HB PRO 323 5.409 -5.922 -0.897 204 HG2 PRO 323 3HG PRO 323 2.992 -7.075 0.453 205 HG3 PRO 323 2HG PRO 323 4.200 -5.899 1.090 206 HD2 PRO 323 3HD PRO 323 1.757 -5.141 0.180 207 HD3 PRO 323 2HD PRO 323 3.203 -4.132 -0.003 208 H GLU 324 HN GLU 324 1.571 -7.351 -1.303 209 HA GLU 324 HA GLU 324 1.826 -9.711 -3.039 210 HB2 GLU 324 3HB GLU 324 0.137 -9.367 -0.550 211 HB3 GLU 324 2HB GLU 324 0.376 -10.865 -1.463 212 HG2 GLU 324 3HG GLU 324 2.601 -11.086 -0.767 213 HG3 GLU 324 2HG GLU 324 2.678 -9.404 -0.222 214 HE2 GLU 324 HE GLU 324 1.686 -12.071 2.376 215 H ARG 325 HN ARG 325 -0.185 -6.999 -2.243 216 HA ARG 325 HA ARG 325 -2.200 -7.937 -4.179 217 HB2 ARG 325 3HB ARG 325 -2.421 -6.306 -1.671 218 HB3 ARG 325 2HB ARG 325 -3.614 -6.098 -2.963 219 HG2 ARG 325 3HG ARG 325 -3.007 -8.855 -1.984 220 HG3 ARG 325 2HG ARG 325 -4.038 -7.787 -1.016 221 HD2 ARG 325 3HD ARG 325 -4.493 -8.548 -3.911 222 HD3 ARG 325 2HD ARG 325 -5.370 -9.185 -2.512 223 HE ARG 325 HE ARG 325 -5.545 -6.360 -2.583 224 HH11 ARG 325 2HH1 ARG 325 -6.763 -9.229 -4.134 225 HH12 ARG 325 1HH1 ARG 325 -8.258 -8.495 -4.611 226 HH21 ARG 325 2HH2 ARG 325 -7.509 -5.382 -3.204 227 HH22 ARG 325 1HH2 ARG 325 -8.682 -6.305 -4.082 228 HA PRO 326 HA PRO 326 -1.359 -4.541 -6.825 229 HB2 PRO 326 3HB PRO 326 -3.856 -3.884 -7.737 230 HB3 PRO 326 2HB PRO 326 -2.999 -5.348 -8.217 231 HG2 PRO 326 3HG PRO 326 -5.100 -4.980 -6.107 232 HG3 PRO 326 2HG PRO 326 -4.954 -6.270 -7.358 233 HD2 PRO 326 3HD PRO 326 -4.231 -6.652 -4.769 234 HD3 PRO 326 2HD PRO 326 -3.392 -7.429 -6.122 235 H SER 327 HN SER 327 -2.547 -2.268 -7.423 236 HA SER 327 HA SER 327 -2.665 -0.831 -4.863 237 HB2 SER 327 1HB SER 327 -0.978 0.246 -5.976 238 HB3 SER 327 2HB SER 327 -1.636 -0.158 -7.570 239 HG SER 327 HG SER 327 -2.461 1.763 -7.589 Start of MODEL 16 1 H1 SER 299 HN SER 299 8.293 13.235 -3.902 2 HA SER 299 HA SER 299 5.722 12.381 -3.381 3 HB2 SER 299 1HB SER 299 7.048 13.226 -5.964 4 HB3 SER 299 2HB SER 299 5.317 12.860 -5.864 5 HG SER 299 HG SER 299 4.978 14.658 -4.798 6 H GLU 300 HN GLU 300 6.569 10.086 -2.802 7 HA GLU 300 HA GLU 300 6.353 8.340 -5.162 8 HB2 GLU 300 3HB GLU 300 7.335 6.580 -3.654 9 HB3 GLU 300 2HB GLU 300 8.410 7.934 -4.030 10 HG2 GLU 300 3HG GLU 300 6.761 8.015 -1.539 11 HG3 GLU 300 2HG GLU 300 8.232 7.031 -1.596 12 HE2 GLU 300 HE GLU 300 10.197 9.982 -2.023 13 H HIS 301 HN HIS 301 3.972 9.018 -4.791 14 HA HIS 301 HA HIS 301 2.586 7.724 -2.640 15 HB2 HIS 301 3HB HIS 301 1.920 9.845 -4.016 16 HB3 HIS 301 2HB HIS 301 1.235 8.673 -5.146 17 HD1 HIS 301 1HD HIS 301 1.019 9.244 -1.382 18 HD2 HIS 301 2HD HIS 301 -1.360 8.185 -4.619 19 HE1 HIS 301 1HE HIS 301 -1.299 8.961 -0.448 20 HE2 HIS 301 2HE HIS 301 -2.754 8.314 -2.427 21 H ARG 302 HN ARG 302 3.399 6.944 -5.944 22 HA ARG 302 HA ARG 302 1.991 4.373 -5.640 23 HB2 ARG 302 3HB ARG 302 1.643 4.291 -8.005 24 HB3 ARG 302 2HB ARG 302 1.093 5.874 -7.433 25 HG2 ARG 302 3HG ARG 302 3.189 6.890 -8.198 26 HG3 ARG 302 2HG ARG 302 3.719 5.307 -8.792 27 HD2 ARG 302 3HD ARG 302 1.422 6.995 -9.782 28 HD3 ARG 302 2HD ARG 302 2.860 6.465 -10.667 29 HE ARG 302 HE ARG 302 1.695 4.129 -10.020 30 HH11 ARG 302 2HH1 ARG 302 0.470 7.043 -11.478 31 HH12 ARG 302 1HH1 ARG 302 -0.738 6.224 -12.411 32 HH21 ARG 302 2HH2 ARG 302 0.109 3.038 -11.242 33 HH22 ARG 302 1HH2 ARG 302 -0.943 3.946 -12.276 34 H LYS 303 HN LYS 303 4.940 6.007 -6.518 35 HA LYS 303 HA LYS 303 6.382 4.009 -7.760 36 HB2 LYS 303 3HB LYS 303 7.423 5.993 -5.721 37 HB3 LYS 303 2HB LYS 303 8.396 5.120 -6.917 38 HG2 LYS 303 3HG LYS 303 6.134 6.824 -7.864 39 HG3 LYS 303 2HG LYS 303 7.647 7.589 -7.344 40 HD2 LYS 303 3HD LYS 303 7.672 5.299 -9.294 41 HD3 LYS 303 2HD LYS 303 7.365 6.959 -9.835 42 HE2 LYS 303 3HE LYS 303 9.492 7.702 -9.210 43 HE3 LYS 303 2HE LYS 303 9.737 6.333 -8.116 44 HZ1 LYS 303 3HZ LYS 303 10.949 6.340 -10.357 45 HZ2 LYS 303 1HZ LYS 303 9.458 5.890 -11.017 46 HZ3 LYS 303 2HZ LYS 303 10.201 4.907 -9.860 47 H GLN 304 HN GLN 304 6.835 4.785 -4.313 48 HA GLN 304 HA GLN 304 7.876 2.169 -3.777 49 HB2 GLN 304 3HB GLN 304 7.387 4.655 -2.201 50 HB3 GLN 304 2HB GLN 304 7.574 3.131 -1.321 51 HG2 GLN 304 3HG GLN 304 9.569 4.369 -3.215 52 HG3 GLN 304 2HG GLN 304 9.692 4.266 -1.454 53 HE21 GLN 304 1HE2 GLN 304 10.278 2.355 -0.492 54 HE22 GLN 304 2HE2 GLN 304 10.876 0.999 -1.379 55 HA PRO 305 HA PRO 305 4.278 -0.002 -2.524 56 HB2 PRO 305 3HB PRO 305 5.171 -1.434 -0.368 57 HB3 PRO 305 2HB PRO 305 5.639 -1.785 -2.031 58 HG2 PRO 305 3HG PRO 305 7.097 -0.210 0.064 59 HG3 PRO 305 2HG PRO 305 7.730 -1.466 -1.064 60 HD2 PRO 305 3HD PRO 305 8.076 1.193 -1.488 61 HD3 PRO 305 2HD PRO 305 7.867 0.033 -2.810 62 H CYS 306 HN CYS 306 2.959 -0.589 -0.470 63 HA CYS 306 HA CYS 306 1.910 1.707 0.643 64 HB2 CYS 306 3HB CYS 306 1.594 -1.144 0.995 65 HB3 CYS 306 2HB CYS 306 1.488 -0.321 2.551 66 HA PRO 307 HA PRO 307 4.527 3.009 3.914 67 HB2 PRO 307 3HB PRO 307 2.722 3.819 5.808 68 HB3 PRO 307 2HB PRO 307 3.022 4.699 4.310 69 HG2 PRO 307 3HG PRO 307 0.850 2.736 4.961 70 HG3 PRO 307 2HG PRO 307 0.733 4.332 4.130 71 HD2 PRO 307 3HD PRO 307 0.707 1.975 2.784 72 HD3 PRO 307 2HD PRO 307 1.435 3.448 2.121 73 H TYR 308 HN TYR 308 1.963 0.748 4.794 74 HA TYR 308 HA TYR 308 3.720 -0.322 6.905 75 HB2 TYR 308 3HB TYR 308 0.731 0.008 6.801 76 HB3 TYR 308 2HB TYR 308 1.464 -1.217 7.841 77 HD1 TYR 308 2HD TYR 308 3.631 -0.174 9.186 78 HD2 TYR 308 1HD TYR 308 0.167 1.950 7.920 79 HE1 TYR 308 2HE TYR 308 4.028 1.507 10.937 80 HE2 TYR 308 1HE TYR 308 0.556 3.637 9.667 81 HH TYR 308 HH TYR 308 1.799 3.617 12.001 82 H GLY 309 HN GLY 309 1.273 -1.137 4.469 83 HA2 GLY 309 2HA GLY 309 0.999 -3.019 3.183 84 HA3 GLY 309 3HA GLY 309 2.661 -3.429 3.580 85 H LYS 310 HN LYS 310 3.086 -4.923 5.156 86 HA LYS 310 HA LYS 310 1.133 -6.853 5.709 87 HB2 LYS 310 3HB LYS 310 2.802 -7.714 7.393 88 HB3 LYS 310 2HB LYS 310 3.419 -7.514 5.745 89 HG2 LYS 310 3HG LYS 310 4.610 -5.545 6.317 90 HG3 LYS 310 2HG LYS 310 3.797 -5.442 7.888 91 HD2 LYS 310 3HD LYS 310 5.375 -7.898 7.236 92 HD3 LYS 310 2HD LYS 310 6.230 -6.415 7.695 93 HE2 LYS 310 3HE LYS 310 5.952 -7.453 9.748 94 HE3 LYS 310 2HE LYS 310 4.557 -6.364 9.682 95 HZ1 LYS 310 3HZ LYS 310 3.137 -8.068 9.645 96 HZ2 LYS 310 1HZ LYS 310 4.435 -9.014 10.178 97 HZ3 LYS 310 2HZ LYS 310 4.052 -8.954 8.531 98 H LYS 311 HN LYS 311 2.188 -4.036 7.501 99 HA LYS 311 HA LYS 311 0.608 -4.761 9.830 100 HB2 LYS 311 3HB LYS 311 2.470 -2.500 9.152 101 HB3 LYS 311 2HB LYS 311 1.393 -2.389 10.552 102 HG2 LYS 311 3HG LYS 311 2.391 -4.330 11.562 103 HG3 LYS 311 2HG LYS 311 3.374 -4.613 10.114 104 HD2 LYS 311 3HD LYS 311 4.899 -3.551 11.479 105 HD3 LYS 311 2HD LYS 311 4.231 -2.183 10.571 106 HE2 LYS 311 3HE LYS 311 2.551 -1.931 12.486 107 HE3 LYS 311 2HE LYS 311 3.600 -3.038 13.384 108 HZ1 LYS 311 3HZ LYS 311 5.452 -1.416 12.809 109 HZ2 LYS 311 1HZ LYS 311 4.328 -0.921 13.972 110 HZ3 LYS 311 2HZ LYS 311 4.227 -0.326 12.391 111 H CYS 312 HN CYS 312 0.258 -2.974 6.929 112 HA CYS 312 HA CYS 312 -1.527 -0.975 7.580 113 HB2 CYS 312 3HB CYS 312 -0.491 -1.542 5.310 114 HB3 CYS 312 2HB CYS 312 -1.824 -2.682 5.112 115 H THR 313 HN THR 313 -3.848 -0.851 7.392 116 HA THR 313 HA THR 313 -5.160 -3.342 8.258 117 HB THR 313 HB THR 313 -6.920 -1.790 9.218 118 HG1 THR 313 1HG THR 313 -6.671 0.253 8.752 119 HG21 THR 313 3HG2 THR 313 -4.373 -1.123 10.582 120 HG22 THR 313 1HG2 THR 313 -4.741 -2.832 10.361 121 HG23 THR 313 2HG2 THR 313 -5.865 -1.794 11.237 122 H TYR 314 HN TYR 314 -5.315 -0.633 6.053 123 HA TYR 314 HA TYR 314 -7.904 -0.955 5.064 124 HB2 TYR 314 3HB TYR 314 -5.514 -0.124 3.408 125 HB3 TYR 314 2HB TYR 314 -7.202 0.336 3.171 126 HD1 TYR 314 1HD TYR 314 -8.271 1.447 5.422 127 HD2 TYR 314 2HD TYR 314 -4.174 1.547 4.279 128 HE1 TYR 314 1HE TYR 314 -7.944 3.465 6.790 129 HE2 TYR 314 2HE TYR 314 -3.835 3.564 5.644 130 HH TYR 314 HH TYR 314 -4.957 4.622 7.675 131 H GLY 315 HN GLY 315 -4.863 -2.199 3.661 132 HA2 GLY 315 2HA GLY 315 -4.450 -4.157 2.519 133 HA3 GLY 315 3HA GLY 315 -6.041 -4.719 3.009 134 H ILE 316 HN ILE 316 -7.893 -3.977 1.760 135 HA ILE 316 HA ILE 316 -7.212 -3.829 -1.072 136 HB ILE 316 HB ILE 316 -9.946 -4.146 0.165 137 HG12 ILE 316 1HG1 ILE 316 -8.506 -5.972 0.887 138 HG13 ILE 316 2HG1 ILE 316 -9.685 -6.555 -0.300 139 HG21 ILE 316 1HG2 ILE 316 -10.339 -3.526 -2.015 140 HG22 ILE 316 2HG2 ILE 316 -8.862 -4.284 -2.609 141 HG23 ILE 316 3HG2 ILE 316 -10.248 -5.281 -2.170 142 HD11 ILE 316 3HD1 ILE 316 -8.029 -7.411 -1.480 143 HD12 ILE 316 1HD1 ILE 316 -7.422 -5.781 -1.767 144 HD13 ILE 316 2HD1 ILE 316 -6.840 -6.709 -0.384 145 H LYS 317 HN LYS 317 -8.562 -1.884 1.462 146 HA LYS 317 HA LYS 317 -9.423 0.163 -0.452 147 HB2 LYS 317 3HB LYS 317 -10.500 1.251 1.451 148 HB3 LYS 317 2HB LYS 317 -11.008 -0.441 1.321 149 HG2 LYS 317 3HG LYS 317 -9.185 -0.944 3.047 150 HG3 LYS 317 2HG LYS 317 -9.165 0.806 3.328 151 HD2 LYS 317 3HD LYS 317 -10.694 0.131 4.916 152 HD3 LYS 317 2HD LYS 317 -11.757 0.507 3.549 153 HE2 LYS 317 3HE LYS 317 -10.672 -2.271 3.977 154 HE3 LYS 317 2HE LYS 317 -12.134 -1.705 4.797 155 HZ1 LYS 317 3HZ LYS 317 -13.113 -2.508 2.956 156 HZ2 LYS 317 1HZ LYS 317 -11.723 -2.369 2.001 157 HZ3 LYS 317 2HZ LYS 317 -12.688 -1.010 2.294 158 H CYS 318 HN CYS 318 -6.588 -0.513 0.223 159 HA CYS 318 HA CYS 318 -5.601 1.741 1.721 160 HB2 CYS 318 3HB CYS 318 -4.467 -0.454 1.763 161 HB3 CYS 318 2HB CYS 318 -4.099 -0.282 0.047 162 H ARG 319 HN ARG 319 -4.403 3.479 0.924 163 HA ARG 319 HA ARG 319 -5.028 4.177 -1.846 164 HB2 ARG 319 3HB ARG 319 -4.039 5.822 0.493 165 HB3 ARG 319 2HB ARG 319 -4.263 6.466 -1.142 166 HG2 ARG 319 3HG ARG 319 -6.272 7.066 -0.301 167 HG3 ARG 319 2HG ARG 319 -6.687 5.412 -0.781 168 HD2 ARG 319 3HD ARG 319 -6.575 4.600 1.403 169 HD3 ARG 319 2HD ARG 319 -5.581 5.959 1.945 170 HE ARG 319 HE ARG 319 -8.123 6.877 1.107 171 HH11 ARG 319 2HH1 ARG 319 -6.534 5.185 3.702 172 HH12 ARG 319 1HH1 ARG 319 -7.687 5.675 4.901 173 HH21 ARG 319 2HH2 ARG 319 -9.647 7.527 2.674 174 HH22 ARG 319 1HH2 ARG 319 -9.457 7.006 4.314 175 H PHE 320 HN PHE 320 -2.935 2.249 -1.204 176 HA PHE 320 HA PHE 320 -0.775 3.529 -2.679 177 HB2 PHE 320 3HB PHE 320 -0.602 2.642 0.141 178 HB3 PHE 320 2HB PHE 320 0.726 2.128 -0.903 179 HD1 PHE 320 1HD PHE 320 -1.070 5.090 0.371 180 HD2 PHE 320 2HD PHE 320 2.396 3.629 -1.621 181 HE1 PHE 320 1HE PHE 320 -0.013 7.300 0.598 182 HE2 PHE 320 2HE PHE 320 3.459 5.836 -1.396 183 HZ PHE 320 HZ PHE 320 2.255 7.675 -0.286 184 H PHE 321 HN PHE 321 1.046 1.706 -2.954 185 HA PHE 321 HA PHE 321 -0.383 -0.576 -4.099 186 HB2 PHE 321 3HB PHE 321 1.184 0.829 -5.495 187 HB3 PHE 321 2HB PHE 321 2.508 0.197 -4.515 188 HD1 PHE 321 1HD PHE 321 -0.069 -0.694 -6.977 189 HD2 PHE 321 2HD PHE 321 3.338 -2.019 -4.797 190 HE1 PHE 321 1HE PHE 321 0.094 -2.669 -8.438 191 HE2 PHE 321 2HE PHE 321 3.506 -3.994 -6.253 192 HZ PHE 321 HZ PHE 321 1.884 -4.320 -8.078 193 H HIS 322 HN HIS 322 -0.552 -2.296 -2.826 194 HA HIS 322 HA HIS 322 1.230 -2.795 -0.646 195 HB2 HIS 322 3HB HIS 322 -1.210 -4.053 -1.776 196 HB3 HIS 322 2HB HIS 322 -0.138 -5.112 -0.855 197 HD1 HIS 322 1HD HIS 322 -0.297 -5.018 1.636 198 HD2 HIS 322 2HD HIS 322 -2.150 -1.778 -0.189 199 HE1 HIS 322 1HE HIS 322 -1.474 -3.786 3.486 200 HE2 HIS 322 2HE HIS 322 -2.606 -1.805 2.371 201 HA PRO 323 HA PRO 323 4.282 -5.324 -2.527 202 HB2 PRO 323 3HB PRO 323 4.819 -7.117 -0.527 203 HB3 PRO 323 2HB PRO 323 5.305 -5.424 -0.472 204 HG2 PRO 323 3HG PRO 323 2.914 -6.757 0.755 205 HG3 PRO 323 2HG PRO 323 4.055 -5.565 1.484 206 HD2 PRO 323 3HD PRO 323 1.599 -4.868 0.559 207 HD3 PRO 323 2HD PRO 323 2.999 -3.786 0.466 208 H GLU 324 HN GLU 324 1.298 -6.692 -1.478 209 HA GLU 324 HA GLU 324 1.848 -9.183 -2.939 210 HB2 GLU 324 3HB GLU 324 -0.526 -8.661 -1.153 211 HB3 GLU 324 2HB GLU 324 0.115 -10.218 -1.697 212 HG2 GLU 324 3HG GLU 324 2.216 -8.954 -0.323 213 HG3 GLU 324 2HG GLU 324 0.759 -8.718 0.652 214 HE2 GLU 324 HE GLU 324 2.083 -12.430 0.163 215 H ARG 325 HN ARG 325 0.869 -6.322 -3.775 216 HA ARG 325 HA ARG 325 -1.710 -6.476 -4.790 217 HB2 ARG 325 3HB ARG 325 0.746 -4.954 -5.595 218 HB3 ARG 325 2HB ARG 325 -0.707 -4.874 -6.603 219 HG2 ARG 325 3HG ARG 325 -0.703 -4.238 -3.656 220 HG3 ARG 325 2HG ARG 325 -0.461 -3.029 -4.929 221 HD2 ARG 325 3HD ARG 325 -2.853 -4.851 -4.970 222 HD3 ARG 325 2HD ARG 325 -2.839 -3.380 -3.988 223 HE ARG 325 HE ARG 325 -2.047 -2.671 -6.561 224 HH11 ARG 325 2HH1 ARG 325 -4.862 -3.921 -4.940 225 HH12 ARG 325 1HH1 ARG 325 -5.982 -3.209 -6.055 226 HH21 ARG 325 2HH2 ARG 325 -3.510 -1.729 -8.036 227 HH22 ARG 325 1HH2 ARG 325 -5.211 -1.964 -7.816 228 HA PRO 326 HA PRO 326 -1.644 -9.232 -8.201 229 HB2 PRO 326 3HB PRO 326 -3.282 -7.970 -9.997 230 HB3 PRO 326 2HB PRO 326 -3.864 -8.735 -8.519 231 HG2 PRO 326 3HG PRO 326 -3.237 -5.850 -9.050 232 HG3 PRO 326 2HG PRO 326 -4.664 -6.572 -8.217 233 HD2 PRO 326 3HD PRO 326 -2.589 -5.456 -6.868 234 HD3 PRO 326 2HD PRO 326 -3.498 -6.843 -6.246 235 H SER 327 HN SER 327 -1.459 -9.191 -10.731 236 HA SER 327 HA SER 327 -0.145 -8.827 -12.551 237 HB2 SER 327 1HB SER 327 -1.183 -6.454 -12.117 238 HB3 SER 327 2HB SER 327 0.466 -6.043 -11.613 239 HG SER 327 HG SER 327 0.875 -5.835 -13.655 Start of MODEL 17 1 H1 SER 299 HN SER 299 8.795 13.758 -3.050 2 HA SER 299 HA SER 299 7.135 12.082 -1.983 3 HB2 SER 299 1HB SER 299 6.502 14.161 -3.316 4 HB3 SER 299 2HB SER 299 6.385 13.096 -4.728 5 HG SER 299 HG SER 299 4.752 11.957 -3.720 6 H GLU 300 HN GLU 300 6.904 9.956 -1.964 7 HA GLU 300 HA GLU 300 7.117 8.494 -4.515 8 HB2 GLU 300 3HB GLU 300 7.933 6.555 -3.207 9 HB3 GLU 300 2HB GLU 300 9.015 7.954 -3.119 10 HG2 GLU 300 3HG GLU 300 6.957 7.599 -0.990 11 HG3 GLU 300 2HG GLU 300 8.400 6.575 -0.977 12 HE2 GLU 300 HE GLU 300 8.802 10.002 0.603 13 H HIS 301 HN HIS 301 4.700 9.341 -4.155 14 HA HIS 301 HA HIS 301 3.051 7.799 -2.428 15 HB2 HIS 301 3HB HIS 301 2.581 10.092 -3.541 16 HB3 HIS 301 2HB HIS 301 2.061 9.135 -4.932 17 HD1 HIS 301 1HD HIS 301 0.753 10.607 -1.947 18 HD2 HIS 301 2HD HIS 301 -0.045 7.155 -4.118 19 HE1 HIS 301 1HE HIS 301 -1.543 9.876 -1.227 20 HE2 HIS 301 2HE HIS 301 -2.033 7.767 -2.554 21 H ARG 302 HN ARG 302 4.078 7.473 -5.773 22 HA ARG 302 HA ARG 302 2.650 4.898 -5.905 23 HB2 ARG 302 3HB ARG 302 2.655 5.150 -8.352 24 HB3 ARG 302 2HB ARG 302 1.808 6.482 -7.552 25 HG2 ARG 302 3HG ARG 302 4.696 6.815 -8.227 26 HG3 ARG 302 2HG ARG 302 3.480 6.941 -9.510 27 HD2 ARG 302 3HD ARG 302 2.349 8.488 -7.571 28 HD3 ARG 302 2HD ARG 302 4.073 8.764 -7.284 29 HE ARG 302 HE ARG 302 4.122 10.030 -9.175 30 HH11 ARG 302 2HH1 ARG 302 1.379 7.894 -9.348 31 HH12 ARG 302 1HH1 ARG 302 0.777 8.573 -10.824 32 HH21 ARG 302 2HH2 ARG 302 3.340 10.933 -11.118 33 HH22 ARG 302 1HH2 ARG 302 1.895 10.301 -11.830 34 H LYS 303 HN LYS 303 5.682 6.531 -6.159 35 HA LYS 303 HA LYS 303 7.179 4.656 -7.598 36 HB2 LYS 303 3HB LYS 303 8.154 6.370 -5.302 37 HB3 LYS 303 2HB LYS 303 9.137 5.674 -6.600 38 HG2 LYS 303 3HG LYS 303 7.004 7.787 -6.928 39 HG3 LYS 303 2HG LYS 303 8.758 8.043 -6.970 40 HD2 LYS 303 3HD LYS 303 8.940 6.589 -8.937 41 HD3 LYS 303 2HD LYS 303 7.188 6.324 -8.894 42 HE2 LYS 303 3HE LYS 303 7.792 8.015 -10.567 43 HE3 LYS 303 2HE LYS 303 6.796 8.697 -9.274 44 HZ1 LYS 303 3HZ LYS 303 9.755 8.910 -9.408 45 HZ2 LYS 303 1HZ LYS 303 8.748 9.635 -8.257 46 HZ3 LYS 303 2HZ LYS 303 8.676 10.127 -9.873 47 H GLN 304 HN GLN 304 6.960 5.030 -4.055 48 HA GLN 304 HA GLN 304 8.050 2.350 -3.714 49 HB2 GLN 304 3HB GLN 304 7.798 4.770 -2.060 50 HB3 GLN 304 2HB GLN 304 7.510 3.255 -1.189 51 HG2 GLN 304 3HG GLN 304 9.760 2.612 -2.547 52 HG3 GLN 304 2HG GLN 304 9.997 4.348 -2.304 53 HE21 GLN 304 1HE2 GLN 304 11.638 4.173 -0.841 54 HE22 GLN 304 2HE2 GLN 304 11.430 3.540 0.752 55 HA PRO 305 HA PRO 305 4.274 0.304 -2.831 56 HB2 PRO 305 3HB PRO 305 4.963 -1.352 -0.761 57 HB3 PRO 305 2HB PRO 305 5.504 -1.593 -2.421 58 HG2 PRO 305 3HG PRO 305 6.928 -0.286 -0.128 59 HG3 PRO 305 2HG PRO 305 7.552 -1.480 -1.326 60 HD2 PRO 305 3HD PRO 305 8.070 1.178 -1.504 61 HD3 PRO 305 2HD PRO 305 7.870 0.145 -2.929 62 H CYS 306 HN CYS 306 2.969 -0.503 -0.727 63 HA CYS 306 HA CYS 306 1.824 1.723 0.430 64 HB2 CYS 306 3HB CYS 306 1.624 -1.137 0.713 65 HB3 CYS 306 2HB CYS 306 1.529 -0.373 2.301 66 HA PRO 307 HA PRO 307 4.429 3.095 3.683 67 HB2 PRO 307 3HB PRO 307 2.601 3.875 5.569 68 HB3 PRO 307 2HB PRO 307 2.888 4.755 4.069 69 HG2 PRO 307 3HG PRO 307 0.754 2.750 4.720 70 HG3 PRO 307 2HG PRO 307 0.607 4.341 3.884 71 HD2 PRO 307 3HD PRO 307 0.634 1.979 2.545 72 HD3 PRO 307 2HD PRO 307 1.333 3.465 1.880 73 H TYR 308 HN TYR 308 1.895 0.802 4.582 74 HA TYR 308 HA TYR 308 3.678 -0.240 6.685 75 HB2 TYR 308 3HB TYR 308 0.676 0.017 6.598 76 HB3 TYR 308 2HB TYR 308 1.466 -1.141 7.672 77 HD1 TYR 308 2HD TYR 308 2.937 -0.362 9.502 78 HD2 TYR 308 1HD TYR 308 0.723 2.369 7.104 79 HE1 TYR 308 2HE TYR 308 3.287 1.394 11.187 80 HE2 TYR 308 1HE TYR 308 1.069 4.132 8.784 81 HH TYR 308 HH TYR 308 3.042 4.485 10.703 82 H GLY 309 HN GLY 309 1.220 -1.091 4.273 83 HA2 GLY 309 2HA GLY 309 0.995 -2.969 2.967 84 HA3 GLY 309 3HA GLY 309 2.636 -3.398 3.426 85 H LYS 310 HN LYS 310 2.973 -4.947 4.944 86 HA LYS 310 HA LYS 310 0.914 -6.774 5.500 87 HB2 LYS 310 3HB LYS 310 2.570 -7.762 7.130 88 HB3 LYS 310 2HB LYS 310 3.152 -7.580 5.467 89 HG2 LYS 310 3HG LYS 310 4.497 -5.719 6.020 90 HG3 LYS 310 2HG LYS 310 3.718 -5.547 7.603 91 HD2 LYS 310 3HD LYS 310 4.783 -7.441 8.480 92 HD3 LYS 310 2HD LYS 310 5.201 -8.051 6.869 93 HE2 LYS 310 3HE LYS 310 7.201 -7.193 7.896 94 HE3 LYS 310 2HE LYS 310 6.722 -6.108 6.582 95 HZ1 LYS 310 3HZ LYS 310 5.580 -5.370 9.108 96 HZ2 LYS 310 1HZ LYS 310 6.431 -4.427 7.991 97 HZ3 LYS 310 2HZ LYS 310 7.271 -5.355 9.128 98 H LYS 311 HN LYS 311 2.189 -4.058 7.305 99 HA LYS 311 HA LYS 311 0.665 -4.721 9.681 100 HB2 LYS 311 3HB LYS 311 2.380 -2.328 8.980 101 HB3 LYS 311 2HB LYS 311 1.591 -2.569 10.546 102 HG2 LYS 311 3HG LYS 311 2.947 -4.404 11.092 103 HG3 LYS 311 2HG LYS 311 3.494 -4.592 9.417 104 HD2 LYS 311 3HD LYS 311 4.909 -2.735 9.524 105 HD3 LYS 311 2HD LYS 311 4.072 -2.076 10.940 106 HE2 LYS 311 3HE LYS 311 5.575 -4.691 11.033 107 HE3 LYS 311 2HE LYS 311 6.356 -3.131 11.334 108 HZ1 LYS 311 3HZ LYS 311 5.624 -4.232 13.382 109 HZ2 LYS 311 1HZ LYS 311 4.020 -4.167 12.848 110 HZ3 LYS 311 2HZ LYS 311 4.863 -2.736 13.164 111 H CYS 312 HN CYS 312 0.235 -2.940 6.793 112 HA CYS 312 HA CYS 312 -1.454 -0.880 7.511 113 HB2 CYS 312 3HB CYS 312 -0.534 -1.667 5.180 114 HB3 CYS 312 2HB CYS 312 -2.076 -2.520 5.082 115 H THR 313 HN THR 313 -3.703 -0.655 7.681 116 HA THR 313 HA THR 313 -5.046 -3.059 8.666 117 HB THR 313 HB THR 313 -6.800 -1.390 9.444 118 HG1 THR 313 1HG THR 313 -6.193 0.354 8.099 119 HG21 THR 313 3HG2 THR 313 -4.837 -0.357 11.068 120 HG22 THR 313 1HG2 THR 313 -4.103 -1.844 10.467 121 HG23 THR 313 2HG2 THR 313 -5.655 -1.901 11.304 122 H TYR 314 HN TYR 314 -5.385 -0.515 6.250 123 HA TYR 314 HA TYR 314 -7.943 -1.012 5.331 124 HB2 TYR 314 3HB TYR 314 -5.579 -0.332 3.567 125 HB3 TYR 314 2HB TYR 314 -7.279 0.033 3.261 126 HD1 TYR 314 2HD TYR 314 -8.249 1.159 5.736 127 HD2 TYR 314 1HD TYR 314 -4.475 1.696 3.847 128 HE1 TYR 314 2HE TYR 314 -8.011 3.341 6.844 129 HE2 TYR 314 1HE TYR 314 -4.225 3.879 4.951 130 HH TYR 314 HH TYR 314 -5.074 5.050 6.928 131 H GLY 315 HN GLY 315 -4.926 -2.382 3.996 132 HA2 GLY 315 2HA GLY 315 -4.525 -4.468 3.094 133 HA3 GLY 315 3HA GLY 315 -6.119 -4.962 3.643 134 H ILE 316 HN ILE 316 -7.976 -4.170 2.333 135 HA ILE 316 HA ILE 316 -7.295 -4.389 -0.505 136 HB ILE 316 HB ILE 316 -9.988 -4.622 0.842 137 HG12 ILE 316 1HG1 ILE 316 -8.260 -6.804 -0.341 138 HG13 ILE 316 2HG1 ILE 316 -8.307 -6.419 1.388 139 HG21 ILE 316 1HG2 ILE 316 -9.156 -4.467 -1.948 140 HG22 ILE 316 2HG2 ILE 316 -10.141 -5.883 -1.590 141 HG23 ILE 316 3HG2 ILE 316 -10.754 -4.270 -1.228 142 HD11 ILE 316 3HD1 ILE 316 -10.272 -7.446 1.705 143 HD12 ILE 316 1HD1 ILE 316 -10.930 -6.893 0.165 144 HD13 ILE 316 2HD1 ILE 316 -9.853 -8.289 0.213 145 H LYS 317 HN LYS 317 -8.484 -2.148 1.821 146 HA LYS 317 HA LYS 317 -9.636 -0.364 -0.154 147 HB2 LYS 317 3HB LYS 317 -9.109 0.489 2.660 148 HB3 LYS 317 2HB LYS 317 -10.487 0.853 1.609 149 HG2 LYS 317 3HG LYS 317 -10.862 -1.782 1.879 150 HG3 LYS 317 2HG LYS 317 -10.031 -1.445 3.408 151 HD2 LYS 317 3HD LYS 317 -11.702 -0.029 4.174 152 HD3 LYS 317 2HD LYS 317 -12.297 0.302 2.538 153 HE2 LYS 317 3HE LYS 317 -13.311 -1.854 2.366 154 HE3 LYS 317 2HE LYS 317 -12.506 -2.402 3.844 155 HZ1 LYS 317 3HZ LYS 317 -14.822 -1.857 4.250 156 HZ2 LYS 317 1HZ LYS 317 -14.574 -0.275 3.702 157 HZ3 LYS 317 2HZ LYS 317 -13.809 -0.812 5.112 158 H CYS 318 HN CYS 318 -6.592 -0.946 1.260 159 HA CYS 318 HA CYS 318 -5.400 1.534 1.413 160 HB2 CYS 318 3HB CYS 318 -4.339 -0.616 2.058 161 HB3 CYS 318 2HB CYS 318 -4.120 -0.992 0.348 162 H ARG 319 HN ARG 319 -5.055 3.106 -0.000 163 HA ARG 319 HA ARG 319 -5.652 2.755 -2.781 164 HB2 ARG 319 3HB ARG 319 -5.869 4.859 -1.153 165 HB3 ARG 319 2HB ARG 319 -4.267 5.206 -1.820 166 HG2 ARG 319 3HG ARG 319 -5.544 4.706 -4.109 167 HG3 ARG 319 2HG ARG 319 -6.915 5.256 -3.132 168 HD2 ARG 319 3HD ARG 319 -5.405 7.247 -2.485 169 HD3 ARG 319 2HD ARG 319 -4.416 6.746 -3.865 170 HE ARG 319 HE ARG 319 -6.984 8.038 -3.954 171 HH11 ARG 319 2HH1 ARG 319 -4.720 6.034 -5.678 172 HH12 ARG 319 1HH1 ARG 319 -5.327 6.466 -7.241 173 HH21 ARG 319 2HH2 ARG 319 -7.793 8.616 -6.007 174 HH22 ARG 319 1HH2 ARG 319 -7.075 7.935 -7.428 175 H PHE 320 HN PHE 320 -2.771 2.842 -0.831 176 HA PHE 320 HA PHE 320 -0.924 3.319 -2.939 177 HB2 PHE 320 3HB PHE 320 -0.792 2.524 -0.089 178 HB3 PHE 320 2HB PHE 320 0.569 2.014 -1.089 179 HD1 PHE 320 2HD PHE 320 -1.476 5.077 -0.489 180 HD2 PHE 320 1HD PHE 320 2.367 3.422 -1.268 181 HE1 PHE 320 2HE PHE 320 -0.478 7.318 -0.309 182 HE2 PHE 320 1HE PHE 320 3.372 5.661 -1.088 183 HZ PHE 320 HZ PHE 320 1.949 7.613 -0.609 184 H PHE 321 HN PHE 321 0.914 1.561 -3.205 185 HA PHE 321 HA PHE 321 -0.434 -0.781 -4.300 186 HB2 PHE 321 3HB PHE 321 1.040 0.329 -5.829 187 HB3 PHE 321 2HB PHE 321 2.354 0.325 -4.651 188 HD1 PHE 321 1HD PHE 321 0.076 -2.240 -6.130 189 HD2 PHE 321 2HD PHE 321 4.057 -1.123 -5.122 190 HE1 PHE 321 1HE PHE 321 0.899 -4.379 -7.026 191 HE2 PHE 321 2HE PHE 321 4.887 -3.260 -6.016 192 HZ PHE 321 HZ PHE 321 3.307 -4.890 -6.971 193 H HIS 322 HN HIS 322 -0.616 -2.522 -3.066 194 HA HIS 322 HA HIS 322 1.132 -2.956 -0.809 195 HB2 HIS 322 3HB HIS 322 -1.381 -4.161 -1.854 196 HB3 HIS 322 2HB HIS 322 -0.354 -5.190 -0.850 197 HD1 HIS 322 1HD HIS 322 -0.351 -4.788 1.642 198 HD2 HIS 322 2HD HIS 322 -2.385 -1.843 -0.466 199 HE1 HIS 322 1HE HIS 322 -1.515 -3.398 3.384 200 HE2 HIS 322 2HE HIS 322 -2.757 -1.597 2.097 201 HA PRO 323 HA PRO 323 4.007 -5.724 -2.633 202 HB2 PRO 323 3HB PRO 323 4.504 -7.438 -0.555 203 HB3 PRO 323 2HB PRO 323 5.075 -5.771 -0.600 204 HG2 PRO 323 3HG PRO 323 2.654 -6.915 0.750 205 HG3 PRO 323 2HG PRO 323 3.871 -5.747 1.389 206 HD2 PRO 323 3HD PRO 323 1.431 -4.973 0.488 207 HD3 PRO 323 2HD PRO 323 2.881 -3.971 0.304 208 H GLU 324 HN GLU 324 1.094 -7.029 -1.205 209 HA GLU 324 HA GLU 324 1.426 -9.515 -2.736 210 HB2 GLU 324 3HB GLU 324 -0.657 -8.944 -0.624 211 HB3 GLU 324 2HB GLU 324 -0.191 -10.517 -1.290 212 HG2 GLU 324 3HG GLU 324 2.148 -9.336 -0.217 213 HG3 GLU 324 2HG GLU 324 0.855 -9.157 0.977 214 HE2 GLU 324 HE GLU 324 0.520 -12.721 1.124 215 H ARG 325 HN ARG 325 0.332 -6.632 -3.402 216 HA ARG 325 HA ARG 325 -2.180 -7.529 -4.646 217 HB2 ARG 325 3HB ARG 325 -1.203 -4.861 -3.684 218 HB3 ARG 325 2HB ARG 325 -2.427 -4.939 -4.959 219 HG2 ARG 325 3HG ARG 325 -2.728 -6.319 -2.296 220 HG3 ARG 325 2HG ARG 325 -3.314 -4.681 -2.630 221 HD2 ARG 325 3HD ARG 325 -4.886 -5.427 -4.211 222 HD3 ARG 325 2HD ARG 325 -4.087 -6.997 -4.372 223 HE ARG 325 HE ARG 325 -6.021 -6.239 -2.390 224 HH11 ARG 325 2HH1 ARG 325 -3.378 -8.382 -3.130 225 HH12 ARG 325 1HH1 ARG 325 -3.884 -9.603 -2.010 226 HH21 ARG 325 2HH2 ARG 325 -6.697 -7.839 -0.912 227 HH22 ARG 325 1HH2 ARG 325 -5.772 -9.294 -0.750 228 HA PRO 326 HA PRO 326 -0.545 -7.149 -8.700 229 HB2 PRO 326 3HB PRO 326 -2.669 -6.116 -10.087 230 HB3 PRO 326 2HB PRO 326 -2.612 -7.771 -9.484 231 HG2 PRO 326 3HG PRO 326 -3.904 -5.350 -8.275 232 HG3 PRO 326 2HG PRO 326 -4.560 -7.020 -8.461 233 HD2 PRO 326 3HD PRO 326 -3.566 -6.090 -6.112 234 HD3 PRO 326 2HD PRO 326 -3.412 -7.783 -6.614 235 H SER 327 HN SER 327 0.613 -5.743 -9.918 236 HA SER 327 HA SER 327 0.844 -3.032 -9.019 237 HB2 SER 327 1HB SER 327 2.683 -4.636 -9.975 238 HB3 SER 327 2HB SER 327 2.117 -4.037 -11.545 239 HG SER 327 HG SER 327 3.731 -2.828 -9.788 Start of MODEL 18 1 H1 SER 299 HN SER 299 8.738 13.418 -2.322 2 HA SER 299 HA SER 299 6.186 12.541 -2.526 3 HB2 SER 299 1HB SER 299 6.313 13.264 -4.994 4 HB3 SER 299 2HB SER 299 6.747 14.468 -3.767 5 HG SER 299 HG SER 299 8.416 14.595 -5.120 6 H GLU 300 HN GLU 300 6.750 10.180 -2.047 7 HA GLU 300 HA GLU 300 6.930 8.698 -4.588 8 HB2 GLU 300 3HB GLU 300 7.742 6.774 -3.160 9 HB3 GLU 300 2HB GLU 300 8.859 8.139 -3.326 10 HG2 GLU 300 3HG GLU 300 7.000 8.034 -0.988 11 HG3 GLU 300 2HG GLU 300 8.461 7.037 -1.002 12 HE2 GLU 300 HE GLU 300 8.865 10.712 0.025 13 H HIS 301 HN HIS 301 4.519 9.342 -4.396 14 HA HIS 301 HA HIS 301 2.923 7.833 -2.555 15 HB2 HIS 301 3HB HIS 301 2.105 9.288 -5.083 16 HB3 HIS 301 2HB HIS 301 1.013 8.707 -3.822 17 HD1 HIS 301 1HD HIS 301 3.335 9.806 -1.649 18 HD2 HIS 301 2HD HIS 301 1.030 11.894 -4.404 19 HE1 HIS 301 1HE HIS 301 3.263 12.174 -0.808 20 HE2 HIS 301 2HE HIS 301 1.854 13.452 -2.491 21 H ARG 302 HN ARG 302 4.020 7.432 -5.859 22 HA ARG 302 HA ARG 302 2.633 4.835 -5.958 23 HB2 ARG 302 3HB ARG 302 2.950 5.074 -8.482 24 HB3 ARG 302 2HB ARG 302 1.747 6.122 -7.717 25 HG2 ARG 302 3HG ARG 302 3.244 8.004 -7.774 26 HG3 ARG 302 2HG ARG 302 4.556 6.977 -8.376 27 HD2 ARG 302 3HD ARG 302 3.539 8.289 -10.186 28 HD3 ARG 302 2HD ARG 302 3.322 6.550 -10.425 29 HE ARG 302 HE ARG 302 1.084 7.604 -9.072 30 HH11 ARG 302 2HH1 ARG 302 2.601 7.588 -12.206 31 HH12 ARG 302 1HH1 ARG 302 1.120 7.828 -13.070 32 HH21 ARG 302 2HH2 ARG 302 -0.874 7.921 -10.199 33 HH22 ARG 302 1HH2 ARG 302 -0.857 8.018 -11.927 34 H LYS 303 HN LYS 303 5.651 6.508 -6.194 35 HA LYS 303 HA LYS 303 7.231 4.644 -7.525 36 HB2 LYS 303 3HB LYS 303 8.065 6.378 -5.189 37 HB3 LYS 303 2HB LYS 303 9.132 5.671 -6.412 38 HG2 LYS 303 3HG LYS 303 7.026 7.786 -6.876 39 HG3 LYS 303 2HG LYS 303 8.784 8.017 -6.865 40 HD2 LYS 303 3HD LYS 303 8.978 6.458 -8.783 41 HD3 LYS 303 2HD LYS 303 7.208 6.344 -8.823 42 HE2 LYS 303 3HE LYS 303 7.656 7.960 -10.441 43 HE3 LYS 303 2HE LYS 303 7.263 8.917 -9.006 44 HZ1 LYS 303 3HZ LYS 303 9.236 9.746 -10.149 45 HZ2 LYS 303 1HZ LYS 303 10.014 8.262 -9.915 46 HZ3 LYS 303 2HZ LYS 303 9.611 9.224 -8.584 47 H GLN 304 HN GLN 304 7.130 5.059 -3.982 48 HA GLN 304 HA GLN 304 8.123 2.364 -3.619 49 HB2 GLN 304 3HB GLN 304 7.634 4.728 -1.858 50 HB3 GLN 304 2HB GLN 304 7.700 3.123 -1.115 51 HG2 GLN 304 3HG GLN 304 9.890 3.836 -2.984 52 HG3 GLN 304 2HG GLN 304 9.848 4.657 -1.417 53 HE21 GLN 304 1HE2 GLN 304 11.068 2.075 -3.003 54 HE22 GLN 304 2HE2 GLN 304 11.365 1.018 -1.668 55 HA PRO 305 HA PRO 305 4.336 0.304 -2.816 56 HB2 PRO 305 3HB PRO 305 4.995 -1.356 -0.739 57 HB3 PRO 305 2HB PRO 305 5.566 -1.590 -2.389 58 HG2 PRO 305 3HG PRO 305 6.942 -0.283 -0.066 59 HG3 PRO 305 2HG PRO 305 7.593 -1.472 -1.255 60 HD2 PRO 305 3HD PRO 305 8.104 1.189 -1.417 61 HD3 PRO 305 2HD PRO 305 7.935 0.158 -2.847 62 H CYS 306 HN CYS 306 2.997 -0.514 -0.738 63 HA CYS 306 HA CYS 306 1.819 1.701 0.402 64 HB2 CYS 306 3HB CYS 306 1.637 -1.161 0.684 65 HB3 CYS 306 2HB CYS 306 1.503 -0.396 2.268 66 HA PRO 307 HA PRO 307 4.353 3.090 3.703 67 HB2 PRO 307 3HB PRO 307 2.489 3.843 5.562 68 HB3 PRO 307 2HB PRO 307 2.788 4.731 4.070 69 HG2 PRO 307 3HG PRO 307 0.668 2.701 4.681 70 HG3 PRO 307 2HG PRO 307 0.515 4.294 3.847 71 HD2 PRO 307 3HD PRO 307 0.589 1.937 2.503 72 HD3 PRO 307 2HD PRO 307 1.283 3.432 1.852 73 H TYR 308 HN TYR 308 1.833 0.762 4.552 74 HA TYR 308 HA TYR 308 3.593 -0.264 6.682 75 HB2 TYR 308 3HB TYR 308 0.590 -0.041 6.543 76 HB3 TYR 308 2HB TYR 308 1.373 -1.198 7.623 77 HD1 TYR 308 2HD TYR 308 3.210 -0.225 9.215 78 HD2 TYR 308 1HD TYR 308 0.197 2.118 7.335 79 HE1 TYR 308 2HE TYR 308 3.514 1.523 10.918 80 HE2 TYR 308 1HE TYR 308 0.493 3.873 9.032 81 HH TYR 308 HH TYR 308 2.630 3.412 11.797 82 H GLY 309 HN GLY 309 1.186 -1.137 4.225 83 HA2 GLY 309 2HA GLY 309 1.021 -3.010 2.900 84 HA3 GLY 309 3HA GLY 309 2.650 -3.431 3.409 85 H LYS 310 HN LYS 310 2.941 -5.016 4.885 86 HA LYS 310 HA LYS 310 0.862 -6.830 5.395 87 HB2 LYS 310 3HB LYS 310 2.482 -7.852 7.034 88 HB3 LYS 310 2HB LYS 310 3.099 -7.646 5.387 89 HG2 LYS 310 3HG LYS 310 4.427 -5.781 6.005 90 HG3 LYS 310 2HG LYS 310 3.635 -5.667 7.586 91 HD2 LYS 310 3HD LYS 310 4.975 -8.238 6.907 92 HD3 LYS 310 2HD LYS 310 6.003 -6.839 7.266 93 HE2 LYS 310 3HE LYS 310 3.728 -7.478 9.105 94 HE3 LYS 310 2HE LYS 310 5.207 -8.449 9.181 95 HZ1 LYS 310 3HZ LYS 310 5.681 -5.607 9.126 96 HZ2 LYS 310 1HZ LYS 310 6.334 -6.794 10.139 97 HZ3 LYS 310 2HZ LYS 310 4.819 -6.125 10.487 98 H LYS 311 HN LYS 311 2.153 -4.163 7.271 99 HA LYS 311 HA LYS 311 0.562 -4.834 9.600 100 HB2 LYS 311 3HB LYS 311 2.374 -2.496 8.966 101 HB3 LYS 311 2HB LYS 311 1.505 -2.683 10.497 102 HG2 LYS 311 3HG LYS 311 2.886 -4.305 11.261 103 HG3 LYS 311 2HG LYS 311 3.164 -4.972 9.643 104 HD2 LYS 311 3HD LYS 311 5.234 -4.049 10.253 105 HD3 LYS 311 2HD LYS 311 4.502 -2.843 9.180 106 HE2 LYS 311 3HE LYS 311 3.791 -1.508 11.075 107 HE3 LYS 311 2HE LYS 311 4.374 -2.750 12.192 108 HZ1 LYS 311 3HZ LYS 311 6.615 -2.334 11.525 109 HZ2 LYS 311 1HZ LYS 311 5.907 -0.849 11.920 110 HZ3 LYS 311 2HZ LYS 311 6.121 -1.277 10.298 111 H CYS 312 HN CYS 312 0.171 -3.084 6.715 112 HA CYS 312 HA CYS 312 -1.441 -0.951 7.393 113 HB2 CYS 312 3HB CYS 312 -0.576 -1.719 5.083 114 HB3 CYS 312 2HB CYS 312 -2.047 -2.690 5.012 115 H THR 313 HN THR 313 -3.581 -0.648 7.847 116 HA THR 313 HA THR 313 -5.030 -3.004 8.770 117 HB THR 313 HB THR 313 -6.641 -1.317 9.710 118 HG1 THR 313 1HG THR 313 -6.160 0.823 9.560 119 HG21 THR 313 3HG2 THR 313 -3.861 -1.756 10.496 120 HG22 THR 313 1HG2 THR 313 -5.335 -1.835 11.461 121 HG23 THR 313 2HG2 THR 313 -4.556 -0.280 11.165 122 H TYR 314 HN TYR 314 -5.227 -0.502 6.329 123 HA TYR 314 HA TYR 314 -7.871 -0.749 5.529 124 HB2 TYR 314 3HB TYR 314 -5.540 -0.338 3.643 125 HB3 TYR 314 2HB TYR 314 -7.202 0.216 3.434 126 HD1 TYR 314 2HD TYR 314 -7.824 1.394 6.047 127 HD2 TYR 314 1HD TYR 314 -4.261 1.618 3.734 128 HE1 TYR 314 2HE TYR 314 -7.274 3.540 7.114 129 HE2 TYR 314 1HE TYR 314 -3.699 3.764 4.796 130 HH TYR 314 HH TYR 314 -5.329 4.930 7.556 131 H GLY 315 HN GLY 315 -5.050 -2.419 4.107 132 HA2 GLY 315 2HA GLY 315 -4.878 -4.541 3.220 133 HA3 GLY 315 3HA GLY 315 -6.481 -4.884 3.856 134 H ILE 316 HN ILE 316 -8.328 -4.001 2.622 135 HA ILE 316 HA ILE 316 -7.802 -4.286 -0.244 136 HB ILE 316 HB ILE 316 -10.475 -4.271 1.156 137 HG12 ILE 316 1HG1 ILE 316 -9.084 -6.110 1.981 138 HG13 ILE 316 2HG1 ILE 316 -10.411 -6.717 0.976 139 HG21 ILE 316 1HG2 ILE 316 -10.833 -3.795 -1.107 140 HG22 ILE 316 2HG2 ILE 316 -9.579 -4.917 -1.632 141 HG23 ILE 316 3HG2 ILE 316 -11.096 -5.534 -0.980 142 HD11 ILE 316 3HD1 ILE 316 -8.969 -7.795 -0.298 143 HD12 ILE 316 1HD1 ILE 316 -8.184 -6.273 -0.715 144 HD13 ILE 316 2HD1 ILE 316 -7.639 -7.190 0.690 145 H LYS 317 HN LYS 317 -8.662 -1.942 2.106 146 HA LYS 317 HA LYS 317 -9.838 -0.107 0.189 147 HB2 LYS 317 3HB LYS 317 -9.038 0.749 2.937 148 HB3 LYS 317 2HB LYS 317 -10.467 1.190 1.988 149 HG2 LYS 317 3HG LYS 317 -11.001 -1.406 2.342 150 HG3 LYS 317 2HG LYS 317 -10.023 -1.111 3.790 151 HD2 LYS 317 3HD LYS 317 -12.069 -0.550 4.631 152 HD3 LYS 317 2HD LYS 317 -11.592 1.022 3.967 153 HE2 LYS 317 3HE LYS 317 -13.062 -0.920 2.221 154 HE3 LYS 317 2HE LYS 317 -13.950 0.014 3.435 155 HZ1 LYS 317 3HZ LYS 317 -14.054 1.539 1.817 156 HZ2 LYS 317 1HZ LYS 317 -12.748 0.890 0.957 157 HZ3 LYS 317 2HZ LYS 317 -12.469 1.920 2.269 158 H CYS 318 HN CYS 318 -6.744 -0.872 1.414 159 HA CYS 318 HA CYS 318 -5.382 1.523 1.405 160 HB2 CYS 318 3HB CYS 318 -4.447 -0.706 2.040 161 HB3 CYS 318 2HB CYS 318 -4.323 -1.095 0.324 162 H ARG 319 HN ARG 319 -4.848 2.984 -0.085 163 HA ARG 319 HA ARG 319 -5.619 2.510 -2.846 164 HB2 ARG 319 3HB ARG 319 -4.492 5.013 -1.567 165 HB3 ARG 319 2HB ARG 319 -5.253 4.892 -3.161 166 HG2 ARG 319 3HG ARG 319 -6.654 4.352 -0.542 167 HG3 ARG 319 2HG ARG 319 -6.737 5.868 -1.457 168 HD2 ARG 319 3HD ARG 319 -7.677 3.141 -2.374 169 HD3 ARG 319 2HD ARG 319 -8.686 4.529 -1.942 170 HE ARG 319 HE ARG 319 -6.991 5.347 -3.990 171 HH11 ARG 319 2HH1 ARG 319 -9.577 3.071 -3.493 172 HH12 ARG 319 1HH1 ARG 319 -10.122 3.131 -5.137 173 HH21 ARG 319 2HH2 ARG 319 -7.698 5.436 -6.157 174 HH22 ARG 319 1HH2 ARG 319 -9.052 4.477 -6.652 175 H PHE 320 HN PHE 320 -2.748 2.763 -0.912 176 HA PHE 320 HA PHE 320 -0.907 3.285 -3.003 177 HB2 PHE 320 3HB PHE 320 -0.777 2.487 -0.159 178 HB3 PHE 320 2HB PHE 320 0.596 1.981 -1.146 179 HD1 PHE 320 2HD PHE 320 -1.485 5.049 -0.690 180 HD2 PHE 320 1HD PHE 320 2.399 3.385 -1.203 181 HE1 PHE 320 2HE PHE 320 -0.503 7.297 -0.512 182 HE2 PHE 320 1HE PHE 320 3.388 5.631 -1.025 183 HZ PHE 320 HZ PHE 320 1.937 7.591 -0.679 184 H PHE 321 HN PHE 321 0.989 1.563 -3.238 185 HA PHE 321 HA PHE 321 -0.290 -0.790 -4.394 186 HB2 PHE 321 3HB PHE 321 1.194 0.373 -5.877 187 HB3 PHE 321 2HB PHE 321 2.484 0.373 -4.672 188 HD1 PHE 321 2HD PHE 321 0.275 -2.233 -6.185 189 HD2 PHE 321 1HD PHE 321 4.227 -1.013 -5.182 190 HE1 PHE 321 2HE PHE 321 1.153 -4.342 -7.096 191 HE2 PHE 321 1HE PHE 321 5.113 -3.120 -6.093 192 HZ PHE 321 HZ PHE 321 3.576 -4.789 -7.050 193 H HIS 322 HN HIS 322 -0.487 -2.522 -3.147 194 HA HIS 322 HA HIS 322 1.233 -2.958 -0.875 195 HB2 HIS 322 3HB HIS 322 -1.235 -4.202 -1.982 196 HB3 HIS 322 2HB HIS 322 -0.212 -5.214 -0.959 197 HD1 HIS 322 1HD HIS 322 -0.267 -4.818 1.535 198 HD2 HIS 322 2HD HIS 322 -2.321 -1.914 -0.612 199 HE1 HIS 322 1HE HIS 322 -1.499 -3.458 3.253 200 HE2 HIS 322 2HE HIS 322 -2.756 -1.683 1.942 201 HA PRO 323 HA PRO 323 4.190 -5.658 -2.668 202 HB2 PRO 323 3HB PRO 323 4.675 -7.384 -0.597 203 HB3 PRO 323 2HB PRO 323 5.220 -5.708 -0.615 204 HG2 PRO 323 3HG PRO 323 2.793 -6.906 0.676 205 HG3 PRO 323 2HG PRO 323 3.977 -5.724 1.350 206 HD2 PRO 323 3HD PRO 323 1.541 -4.982 0.408 207 HD3 PRO 323 2HD PRO 323 2.977 -3.955 0.263 208 H GLU 324 HN GLU 324 1.290 -7.047 -1.282 209 HA GLU 324 HA GLU 324 1.690 -9.504 -2.838 210 HB2 GLU 324 3HB GLU 324 -0.359 -8.927 -0.685 211 HB3 GLU 324 2HB GLU 324 -0.052 -10.491 -1.456 212 HG2 GLU 324 3HG GLU 324 1.866 -10.871 -0.284 213 HG3 GLU 324 2HG GLU 324 2.215 -9.147 -0.095 214 HE2 GLU 324 HE GLU 324 1.166 -9.758 3.155 215 H ARG 325 HN ARG 325 0.560 -6.638 -3.508 216 HA ARG 325 HA ARG 325 -1.910 -7.569 -4.808 217 HB2 ARG 325 3HB ARG 325 -1.002 -4.893 -3.804 218 HB3 ARG 325 2HB ARG 325 -2.199 -4.981 -5.104 219 HG2 ARG 325 3HG ARG 325 -2.527 -6.389 -2.458 220 HG3 ARG 325 2HG ARG 325 -3.137 -4.759 -2.792 221 HD2 ARG 325 3HD ARG 325 -4.651 -5.527 -4.428 222 HD3 ARG 325 2HD ARG 325 -3.833 -7.089 -4.551 223 HE ARG 325 HE ARG 325 -5.815 -6.322 -2.611 224 HH11 ARG 325 2HH1 ARG 325 -3.183 -8.485 -3.327 225 HH12 ARG 325 1HH1 ARG 325 -3.720 -9.712 -2.228 226 HH21 ARG 325 2HH2 ARG 325 -6.532 -7.928 -1.160 227 HH22 ARG 325 1HH2 ARG 325 -5.626 -9.394 -0.996 228 HA PRO 326 HA PRO 326 -0.202 -7.125 -8.824 229 HB2 PRO 326 3HB PRO 326 -2.317 -6.122 -10.246 230 HB3 PRO 326 2HB PRO 326 -2.241 -7.780 -9.655 231 HG2 PRO 326 3HG PRO 326 -3.601 -5.394 -8.453 232 HG3 PRO 326 2HG PRO 326 -4.224 -7.073 -8.666 233 HD2 PRO 326 3HD PRO 326 -3.294 -6.145 -6.290 234 HD3 PRO 326 2HD PRO 326 -3.098 -7.830 -6.802 235 H SER 327 HN SER 327 -2.147 -4.263 -7.949 236 HA SER 327 HA SER 327 0.077 -2.506 -8.437 237 HB2 SER 327 1HB SER 327 -0.700 -1.333 -10.312 238 HB3 SER 327 2HB SER 327 -1.018 -3.027 -10.727 239 HG SER 327 HG SER 327 -3.188 -2.617 -9.819 Start of MODEL 19 1 H1 SER 299 HN SER 299 7.915 13.560 -1.754 2 HA SER 299 HA SER 299 5.883 11.833 -0.787 3 HB2 SER 299 1HB SER 299 5.864 13.832 -3.069 4 HB3 SER 299 2HB SER 299 4.424 13.028 -2.422 5 HG SER 299 HG SER 299 6.186 14.679 -0.926 6 H GLU 300 HN GLU 300 6.090 9.722 -1.320 7 HA GLU 300 HA GLU 300 6.444 9.031 -4.153 8 HB2 GLU 300 3HB GLU 300 6.851 7.467 -1.604 9 HB3 GLU 300 2HB GLU 300 6.824 6.696 -3.197 10 HG2 GLU 300 3HG GLU 300 9.098 7.039 -2.625 11 HG3 GLU 300 2HG GLU 300 8.683 8.213 -3.881 12 HE2 GLU 300 HE GLU 300 9.351 9.614 -0.220 13 H HIS 301 HN HIS 301 4.298 9.446 -4.792 14 HA HIS 301 HA HIS 301 2.113 8.067 -3.503 15 HB2 HIS 301 3HB HIS 301 2.330 9.841 -5.933 16 HB3 HIS 301 2HB HIS 301 0.826 9.014 -5.516 17 HD1 HIS 301 1HD HIS 301 0.121 9.507 -2.826 18 HD2 HIS 301 2HD HIS 301 2.396 12.326 -4.860 19 HE1 HIS 301 1HE HIS 301 -0.175 11.655 -1.553 20 HE2 HIS 301 2HE HIS 301 1.216 13.379 -2.794 21 H ARG 302 HN ARG 302 4.119 7.661 -6.346 22 HA ARG 302 HA ARG 302 2.959 4.997 -6.719 23 HB2 ARG 302 3HB ARG 302 2.980 5.292 -9.175 24 HB3 ARG 302 2HB ARG 302 1.839 6.375 -8.365 25 HG2 ARG 302 3HG ARG 302 3.012 8.258 -8.884 26 HG3 ARG 302 2HG ARG 302 4.565 7.408 -8.902 27 HD2 ARG 302 3HD ARG 302 3.851 8.150 -11.157 28 HD3 ARG 302 2HD ARG 302 4.050 6.397 -11.027 29 HE ARG 302 HE ARG 302 1.357 7.220 -10.541 30 HH11 ARG 302 2HH1 ARG 302 3.688 6.522 -13.031 31 HH12 ARG 302 1HH1 ARG 302 2.494 6.110 -14.216 32 HH21 ARG 302 2HH2 ARG 302 -0.225 6.681 -12.094 33 HH22 ARG 302 1HH2 ARG 302 0.267 6.203 -13.683 34 H LYS 303 HN LYS 303 5.450 6.007 -5.545 35 HA LYS 303 HA LYS 303 7.394 4.825 -7.417 36 HB2 LYS 303 3HB LYS 303 8.060 6.626 -5.088 37 HB3 LYS 303 2HB LYS 303 9.102 6.166 -6.445 38 HG2 LYS 303 3HG LYS 303 6.672 7.956 -6.568 39 HG3 LYS 303 2HG LYS 303 8.370 8.447 -6.709 40 HD2 LYS 303 3HD LYS 303 8.382 6.685 -8.676 41 HD3 LYS 303 2HD LYS 303 6.640 7.012 -8.668 42 HE2 LYS 303 3HE LYS 303 7.157 9.457 -8.835 43 HE3 LYS 303 2HE LYS 303 8.861 9.019 -9.026 44 HZ1 LYS 303 3HZ LYS 303 7.793 9.389 -11.161 45 HZ2 LYS 303 1HZ LYS 303 6.661 8.175 -10.834 46 HZ3 LYS 303 2HZ LYS 303 8.295 7.779 -11.018 47 H GLN 304 HN GLN 304 6.302 4.938 -4.066 48 HA GLN 304 HA GLN 304 7.866 2.498 -3.538 49 HB2 GLN 304 3HB GLN 304 7.170 4.858 -1.848 50 HB3 GLN 304 2HB GLN 304 7.312 3.277 -1.063 51 HG2 GLN 304 3HG GLN 304 9.447 4.658 -2.689 52 HG3 GLN 304 2HG GLN 304 9.402 4.493 -0.929 53 HE21 GLN 304 1HE2 GLN 304 10.107 2.953 -3.919 54 HE22 GLN 304 2HE2 GLN 304 10.756 1.491 -3.266 55 HA PRO 305 HA PRO 305 4.215 0.187 -2.787 56 HB2 PRO 305 3HB PRO 305 4.929 -1.374 -0.653 57 HB3 PRO 305 2HB PRO 305 5.564 -1.603 -2.281 58 HG2 PRO 305 3HG PRO 305 6.776 -0.150 0.046 59 HG3 PRO 305 2HG PRO 305 7.544 -1.315 -1.096 60 HD2 PRO 305 3HD PRO 305 7.868 1.371 -1.307 61 HD3 PRO 305 2HD PRO 305 7.814 0.300 -2.717 62 H CYS 306 HN CYS 306 2.911 -0.698 -0.694 63 HA CYS 306 HA CYS 306 1.519 1.445 0.346 64 HB2 CYS 306 3HB CYS 306 1.575 -1.411 0.720 65 HB3 CYS 306 2HB CYS 306 1.347 -0.612 2.275 66 HA PRO 307 HA PRO 307 3.856 3.153 3.644 67 HB2 PRO 307 3HB PRO 307 1.894 3.803 5.442 68 HB3 PRO 307 2HB PRO 307 2.149 4.665 3.925 69 HG2 PRO 307 3HG PRO 307 0.196 2.482 4.566 70 HG3 PRO 307 2HG PRO 307 -0.073 4.027 3.676 71 HD2 PRO 307 3HD PRO 307 0.231 1.642 2.414 72 HD3 PRO 307 2HD PRO 307 0.807 3.170 1.725 73 H TYR 308 HN TYR 308 1.529 0.644 4.520 74 HA TYR 308 HA TYR 308 3.320 -0.157 6.720 75 HB2 TYR 308 3HB TYR 308 0.320 -0.143 6.519 76 HB3 TYR 308 2HB TYR 308 1.135 -1.270 7.606 77 HD1 TYR 308 1HD TYR 308 3.149 0.009 8.990 78 HD2 TYR 308 2HD TYR 308 -0.472 1.749 7.588 79 HE1 TYR 308 1HE TYR 308 3.324 1.752 10.717 80 HE2 TYR 308 2HE TYR 308 -0.306 3.497 9.309 81 HH TYR 308 HH TYR 308 0.790 3.751 11.574 82 H GLY 309 HN GLY 309 1.206 -1.242 4.115 83 HA2 GLY 309 2HA GLY 309 1.152 -3.199 2.917 84 HA3 GLY 309 3HA GLY 309 2.822 -3.425 3.419 85 H LYS 310 HN LYS 310 3.274 -5.054 4.759 86 HA LYS 310 HA LYS 310 1.466 -7.051 5.368 87 HB2 LYS 310 3HB LYS 310 3.148 -7.811 7.065 88 HB3 LYS 310 2HB LYS 310 3.813 -7.510 5.451 89 HG2 LYS 310 3HG LYS 310 4.042 -5.077 6.840 90 HG3 LYS 310 2HG LYS 310 4.553 -6.349 7.964 91 HD2 LYS 310 3HD LYS 310 5.866 -7.220 5.829 92 HD3 LYS 310 2HD LYS 310 5.750 -5.512 5.372 93 HE2 LYS 310 3HE LYS 310 7.614 -5.242 6.596 94 HE3 LYS 310 2HE LYS 310 6.523 -5.339 7.984 95 HZ1 LYS 310 3HZ LYS 310 8.256 -6.867 8.374 96 HZ2 LYS 310 1HZ LYS 310 8.150 -7.522 6.817 97 HZ3 LYS 310 2HZ LYS 310 6.914 -7.800 7.938 98 H LYS 311 HN LYS 311 2.299 -4.179 7.201 99 HA LYS 311 HA LYS 311 0.766 -5.003 9.513 100 HB2 LYS 311 3HB LYS 311 2.212 -2.449 8.791 101 HB3 LYS 311 2HB LYS 311 1.291 -2.648 10.292 102 HG2 LYS 311 3HG LYS 311 2.747 -4.373 11.063 103 HG3 LYS 311 2HG LYS 311 3.571 -4.441 9.494 104 HD2 LYS 311 3HD LYS 311 4.957 -3.226 11.054 105 HD3 LYS 311 2HD LYS 311 4.328 -2.104 9.835 106 HE2 LYS 311 3HE LYS 311 4.239 -1.196 12.152 107 HE3 LYS 311 2HE LYS 311 2.661 -1.283 11.358 108 HZ1 LYS 311 3HZ LYS 311 2.768 -2.084 13.730 109 HZ2 LYS 311 1HZ LYS 311 3.632 -3.421 13.159 110 HZ3 LYS 311 2HZ LYS 311 2.052 -3.145 12.624 111 H CYS 312 HN CYS 312 0.279 -3.173 6.615 112 HA CYS 312 HA CYS 312 -1.804 -1.491 7.283 113 HB2 CYS 312 3HB CYS 312 -0.565 -1.868 5.024 114 HB3 CYS 312 2HB CYS 312 -1.849 -3.035 4.707 115 H THR 313 HN THR 313 -4.049 -1.667 7.302 116 HA THR 313 HA THR 313 -5.074 -4.418 7.582 117 HB THR 313 HB THR 313 -5.055 -3.097 9.703 118 HG1 THR 313 1HG THR 313 -6.582 -4.715 9.563 119 HG21 THR 313 3HG2 THR 313 -5.747 -0.963 8.282 120 HG22 THR 313 1HG2 THR 313 -6.182 -1.128 9.982 121 HG23 THR 313 2HG2 THR 313 -7.366 -1.501 8.729 122 H TYR 314 HN TYR 314 -5.440 -1.351 6.050 123 HA TYR 314 HA TYR 314 -8.129 -1.484 5.265 124 HB2 TYR 314 3HB TYR 314 -5.704 -0.119 4.108 125 HB3 TYR 314 2HB TYR 314 -7.277 -0.014 3.314 126 HD1 TYR 314 2HD TYR 314 -9.204 0.337 5.386 127 HD2 TYR 314 1HD TYR 314 -5.250 1.892 5.168 128 HE1 TYR 314 2HE TYR 314 -9.859 2.191 6.863 129 HE2 TYR 314 1HE TYR 314 -5.893 3.751 6.646 130 HH TYR 314 HH TYR 314 -9.214 4.056 7.875 131 H GLY 315 HN GLY 315 -5.202 -2.372 3.423 132 HA2 GLY 315 2HA GLY 315 -4.892 -4.081 1.898 133 HA3 GLY 315 3HA GLY 315 -6.509 -4.656 2.274 134 H ILE 316 HN ILE 316 -8.295 -3.137 1.423 135 HA ILE 316 HA ILE 316 -7.690 -2.642 -1.398 136 HB ILE 316 HB ILE 316 -10.363 -2.827 -0.003 137 HG12 ILE 316 1HG1 ILE 316 -9.067 -4.783 -1.912 138 HG13 ILE 316 2HG1 ILE 316 -9.002 -4.947 -0.149 139 HG21 ILE 316 1HG2 ILE 316 -9.557 -2.191 -2.791 140 HG22 ILE 316 2HG2 ILE 316 -11.001 -3.173 -2.543 141 HG23 ILE 316 3HG2 ILE 316 -10.896 -1.564 -1.828 142 HD11 ILE 316 3HD1 ILE 316 -11.572 -4.840 -0.258 143 HD12 ILE 316 1HD1 ILE 316 -11.355 -5.223 -1.966 144 HD13 ILE 316 2HD1 ILE 316 -10.756 -6.331 -0.732 145 H LYS 317 HN LYS 317 -8.464 -1.002 1.532 146 HA LYS 317 HA LYS 317 -9.198 1.459 0.149 147 HB2 LYS 317 3HB LYS 317 -8.848 1.343 3.110 148 HB3 LYS 317 2HB LYS 317 -10.049 2.220 2.147 149 HG2 LYS 317 3HG LYS 317 -10.840 -0.264 1.587 150 HG3 LYS 317 2HG LYS 317 -10.098 -0.556 3.170 151 HD2 LYS 317 3HD LYS 317 -11.517 1.067 4.224 152 HD3 LYS 317 2HD LYS 317 -12.144 1.598 2.653 153 HE2 LYS 317 3HE LYS 317 -13.782 0.172 3.720 154 HE3 LYS 317 2HE LYS 317 -13.104 -0.653 2.308 155 HZ1 LYS 317 3HZ LYS 317 -11.901 -1.120 4.948 156 HZ2 LYS 317 1HZ LYS 317 -11.964 -2.142 3.601 157 HZ3 LYS 317 2HZ LYS 317 -13.346 -1.906 4.548 158 H CYS 318 HN CYS 318 -6.425 -0.075 1.258 159 HA CYS 318 HA CYS 318 -4.855 1.905 2.362 160 HB2 CYS 318 3HB CYS 318 -4.213 -0.488 2.095 161 HB3 CYS 318 2HB CYS 318 -3.927 -0.184 0.380 162 H ARG 319 HN ARG 319 -5.857 1.491 -0.949 163 HA ARG 319 HA ARG 319 -5.629 2.786 -2.803 164 HB2 ARG 319 3HB ARG 319 -5.324 4.693 -0.547 165 HB3 ARG 319 2HB ARG 319 -4.807 5.258 -2.142 166 HG2 ARG 319 3HG ARG 319 -7.535 4.102 -1.570 167 HG3 ARG 319 2HG ARG 319 -7.156 5.832 -1.559 168 HD2 ARG 319 3HD ARG 319 -6.439 4.191 -3.960 169 HD3 ARG 319 2HD ARG 319 -8.116 4.698 -3.714 170 HE ARG 319 HE ARG 319 -7.495 6.903 -4.093 171 HH11 ARG 319 2HH1 ARG 319 -4.710 4.816 -4.025 172 HH12 ARG 319 1HH1 ARG 319 -3.644 6.001 -4.705 173 HH21 ARG 319 2HH2 ARG 319 -6.102 8.471 -4.987 174 HH22 ARG 319 1HH2 ARG 319 -4.436 8.080 -5.252 175 H PHE 320 HN PHE 320 -3.288 1.340 -1.558 176 HA PHE 320 HA PHE 320 -1.222 2.649 -3.183 177 HB2 PHE 320 3HB PHE 320 -1.134 1.981 -0.296 178 HB3 PHE 320 2HB PHE 320 0.304 1.564 -1.229 179 HD1 PHE 320 2HD PHE 320 1.450 3.365 -2.581 180 HD2 PHE 320 1HD PHE 320 -1.510 4.205 0.360 181 HE1 PHE 320 2HE PHE 320 2.238 5.693 -2.458 182 HE2 PHE 320 1HE PHE 320 -0.728 6.534 0.487 183 HZ PHE 320 HZ PHE 320 1.149 7.281 -0.922 184 H PHE 321 HN PHE 321 0.705 1.089 -3.468 185 HA PHE 321 HA PHE 321 -0.405 -1.443 -4.382 186 HB2 PHE 321 3HB PHE 321 1.057 0.045 -5.827 187 HB3 PHE 321 2HB PHE 321 2.406 -0.418 -4.788 188 HD1 PHE 321 2HD PHE 321 -0.269 -1.947 -6.879 189 HD2 PHE 321 1HD PHE 321 3.671 -2.276 -5.302 190 HE1 PHE 321 2HE PHE 321 0.097 -3.973 -8.224 191 HE2 PHE 321 1HE PHE 321 4.042 -4.305 -6.645 192 HZ PHE 321 HZ PHE 321 2.254 -5.156 -8.107 193 H HIS 322 HN HIS 322 -0.238 -3.244 -3.236 194 HA HIS 322 HA HIS 322 1.489 -3.334 -0.910 195 HB2 HIS 322 3HB HIS 322 -0.803 -4.918 -1.951 196 HB3 HIS 322 2HB HIS 322 0.355 -5.772 -0.927 197 HD1 HIS 322 1HD HIS 322 0.070 -5.531 1.532 198 HD2 HIS 322 2HD HIS 322 -1.936 -2.566 -0.575 199 HE1 HIS 322 1HE HIS 322 -1.247 -4.256 3.254 200 HE2 HIS 322 2HE HIS 322 -2.473 -2.443 1.966 201 HA PRO 323 HA PRO 323 4.775 -5.688 -2.615 202 HB2 PRO 323 3HB PRO 323 5.458 -7.294 -0.505 203 HB3 PRO 323 2HB PRO 323 5.785 -5.563 -0.555 204 HG2 PRO 323 3HG PRO 323 3.519 -7.033 0.748 205 HG3 PRO 323 2HG PRO 323 4.537 -5.697 1.403 206 HD2 PRO 323 3HD PRO 323 2.035 -5.291 0.430 207 HD3 PRO 323 2HD PRO 323 3.330 -4.091 0.272 208 H GLU 324 HN GLU 324 2.196 -7.516 -1.034 209 HA GLU 324 HA GLU 324 2.814 -9.823 -2.748 210 HB2 GLU 324 3HB GLU 324 1.036 -9.715 -0.302 211 HB3 GLU 324 2HB GLU 324 1.520 -11.166 -1.194 212 HG2 GLU 324 3HG GLU 324 3.740 -11.038 -0.448 213 HG3 GLU 324 2HG GLU 324 3.537 -9.370 0.104 214 HE2 GLU 324 HE GLU 324 2.791 -10.514 3.232 215 H ARG 325 HN ARG 325 0.432 -7.413 -2.018 216 HA ARG 325 HA ARG 325 -1.380 -8.620 -4.004 217 HB2 ARG 325 3HB ARG 325 -1.908 -7.094 -1.477 218 HB3 ARG 325 2HB ARG 325 -3.084 -7.035 -2.798 219 HG2 ARG 325 3HG ARG 325 -2.087 -9.583 -1.525 220 HG3 ARG 325 2HG ARG 325 -3.587 -8.750 -1.082 221 HD2 ARG 325 3HD ARG 325 -4.381 -8.982 -3.421 222 HD3 ARG 325 2HD ARG 325 -2.909 -9.891 -3.791 223 HE ARG 325 HE ARG 325 -5.230 -10.851 -2.396 224 HH11 ARG 325 2HH1 ARG 325 -1.813 -11.281 -2.902 225 HH12 ARG 325 1HH1 ARG 325 -1.822 -12.953 -2.445 226 HH21 ARG 325 2HH2 ARG 325 -5.256 -13.051 -1.793 227 HH22 ARG 325 1HH2 ARG 325 -3.782 -13.959 -1.817 228 HA PRO 326 HA PRO 326 -0.999 -5.087 -6.575 229 HB2 PRO 326 3HB PRO 326 -3.545 -4.796 -7.542 230 HB3 PRO 326 2HB PRO 326 -2.464 -6.105 -8.021 231 HG2 PRO 326 3HG PRO 326 -4.646 -6.096 -5.963 232 HG3 PRO 326 2HG PRO 326 -4.278 -7.326 -7.229 233 HD2 PRO 326 3HD PRO 326 -3.569 -7.644 -4.628 234 HD3 PRO 326 2HD PRO 326 -2.589 -8.260 -5.969 235 H SER 327 HN SER 327 -2.528 -3.015 -7.173 236 HA SER 327 HA SER 327 -2.261 -1.231 -5.087 237 HB2 SER 327 1HB SER 327 -2.629 -0.705 -7.545 238 HB3 SER 327 2HB SER 327 -4.357 -0.964 -7.247 239 HG SER 327 HG SER 327 -3.101 1.259 -6.918 Start of MODEL 20 1 H1 SER 299 HN SER 299 10.263 12.874 -3.321 2 HA SER 299 HA SER 299 7.410 12.632 -2.701 3 HB2 SER 299 1HB SER 299 8.686 13.230 -5.384 4 HB3 SER 299 2HB SER 299 6.988 13.450 -4.926 5 HG SER 299 HG SER 299 8.140 14.863 -3.183 6 H GLU 300 HN GLU 300 7.724 10.348 -2.143 7 HA GLU 300 HA GLU 300 7.929 8.631 -4.528 8 HB2 GLU 300 3HB GLU 300 8.538 6.801 -3.005 9 HB3 GLU 300 2HB GLU 300 9.665 8.160 -2.884 10 HG2 GLU 300 3HG GLU 300 7.360 7.943 -0.985 11 HG3 GLU 300 2HG GLU 300 8.832 6.995 -0.730 12 HE2 GLU 300 HE GLU 300 8.863 10.696 0.377 13 H HIS 301 HN HIS 301 5.531 9.944 -3.967 14 HA HIS 301 HA HIS 301 3.747 8.293 -2.475 15 HB2 HIS 301 3HB HIS 301 2.003 9.728 -3.246 16 HB3 HIS 301 2HB HIS 301 3.413 10.744 -2.933 17 HD1 HIS 301 1HD HIS 301 0.909 10.201 -5.420 18 HD2 HIS 301 2HD HIS 301 4.933 11.234 -5.483 19 HE1 HIS 301 1HE HIS 301 1.305 11.225 -7.683 20 HE2 HIS 301 2HE HIS 301 3.764 11.857 -7.723 21 H ARG 302 HN ARG 302 4.888 8.326 -5.748 22 HA ARG 302 HA ARG 302 3.116 6.053 -6.348 23 HB2 ARG 302 3HB ARG 302 3.018 6.777 -8.686 24 HB3 ARG 302 2HB ARG 302 2.363 8.014 -7.601 25 HG2 ARG 302 3HG ARG 302 3.999 9.508 -8.062 26 HG3 ARG 302 2HG ARG 302 5.226 8.249 -8.284 27 HD2 ARG 302 3HD ARG 302 4.731 7.940 -10.496 28 HD3 ARG 302 2HD ARG 302 3.031 8.372 -10.272 29 HE ARG 302 HE ARG 302 4.697 10.631 -9.874 30 HH11 ARG 302 2HH1 ARG 302 3.371 8.585 -12.359 31 HH12 ARG 302 1HH1 ARG 302 3.408 9.817 -13.575 32 HH21 ARG 302 2HH2 ARG 302 4.750 12.262 -11.467 33 HH22 ARG 302 1HH2 ARG 302 4.194 11.908 -13.068 34 H LYS 303 HN LYS 303 5.884 6.201 -5.314 35 HA LYS 303 HA LYS 303 7.224 4.746 -7.499 36 HB2 LYS 303 3HB LYS 303 8.577 6.341 -5.310 37 HB3 LYS 303 2HB LYS 303 9.359 5.543 -6.684 38 HG2 LYS 303 3HG LYS 303 7.367 7.791 -6.962 39 HG3 LYS 303 2HG LYS 303 9.125 8.013 -6.909 40 HD2 LYS 303 3HD LYS 303 9.363 6.551 -8.882 41 HD3 LYS 303 2HD LYS 303 7.599 6.392 -8.949 42 HE2 LYS 303 3HE LYS 303 8.159 8.062 -10.535 43 HE3 LYS 303 2HE LYS 303 7.497 8.910 -9.130 44 HZ1 LYS 303 3HZ LYS 303 9.865 9.218 -8.395 45 HZ2 LYS 303 1HZ LYS 303 9.414 10.083 -9.777 46 HZ3 LYS 303 2HZ LYS 303 10.340 8.677 -9.925 47 H GLN 304 HN GLN 304 7.250 5.136 -3.953 48 HA GLN 304 HA GLN 304 8.233 2.434 -3.611 49 HB2 GLN 304 3HB GLN 304 7.723 4.775 -1.830 50 HB3 GLN 304 2HB GLN 304 7.755 3.161 -1.103 51 HG2 GLN 304 3HG GLN 304 9.996 3.817 -2.915 52 HG3 GLN 304 2HG GLN 304 9.926 4.704 -1.386 53 HE21 GLN 304 1HE2 GLN 304 10.915 1.889 -2.886 54 HE22 GLN 304 2HE2 GLN 304 11.259 0.947 -1.479 55 HA PRO 305 HA PRO 305 4.431 0.367 -2.907 56 HB2 PRO 305 3HB PRO 305 5.045 -1.317 -0.836 57 HB3 PRO 305 2HB PRO 305 5.650 -1.533 -2.478 58 HG2 PRO 305 3HG PRO 305 6.980 -0.255 -0.112 59 HG3 PRO 305 2HG PRO 305 7.654 -1.432 -1.301 60 HD2 PRO 305 3HD PRO 305 8.169 1.232 -1.421 61 HD3 PRO 305 2HD PRO 305 8.030 0.218 -2.867 62 H CYS 306 HN CYS 306 3.077 -0.496 -0.837 63 HA CYS 306 HA CYS 306 1.849 1.700 0.290 64 HB2 CYS 306 3HB CYS 306 1.718 -1.166 0.576 65 HB3 CYS 306 2HB CYS 306 1.545 -0.396 2.155 66 HA PRO 307 HA PRO 307 4.317 3.133 3.622 67 HB2 PRO 307 3HB PRO 307 2.419 3.837 5.467 68 HB3 PRO 307 2HB PRO 307 2.713 4.739 3.979 69 HG2 PRO 307 3HG PRO 307 0.631 2.659 4.566 70 HG3 PRO 307 2HG PRO 307 0.452 4.250 3.735 71 HD2 PRO 307 3HD PRO 307 0.590 1.899 2.384 72 HD3 PRO 307 2HD PRO 307 1.256 3.412 1.744 73 H TYR 308 HN TYR 308 1.831 0.762 4.458 74 HA TYR 308 HA TYR 308 3.606 -0.246 6.584 75 HB2 TYR 308 3HB TYR 308 0.594 -0.099 6.452 76 HB3 TYR 308 2HB TYR 308 1.425 -1.191 7.561 77 HD1 TYR 308 1HD TYR 308 3.399 0.027 8.947 78 HD2 TYR 308 2HD TYR 308 -0.046 1.939 7.342 79 HE1 TYR 308 1HE TYR 308 3.647 1.838 10.592 80 HE2 TYR 308 2HE TYR 308 0.192 3.757 8.981 81 HH TYR 308 HH TYR 308 1.200 4.252 11.047 82 H GLY 309 HN GLY 309 1.200 -1.143 4.134 83 HA2 GLY 309 2HA GLY 309 1.080 -3.007 2.788 84 HA3 GLY 309 3HA GLY 309 2.692 -3.438 3.340 85 H LYS 310 HN LYS 310 2.945 -4.864 5.038 86 HA LYS 310 HA LYS 310 0.839 -6.727 5.430 87 HB2 LYS 310 3HB LYS 310 2.406 -7.744 7.115 88 HB3 LYS 310 2HB LYS 310 3.083 -7.539 5.491 89 HG2 LYS 310 3HG LYS 310 4.380 -5.664 6.158 90 HG3 LYS 310 2HG LYS 310 3.540 -5.571 7.716 91 HD2 LYS 310 3HD LYS 310 4.671 -7.363 8.607 92 HD3 LYS 310 2HD LYS 310 4.952 -8.100 7.019 93 HE2 LYS 310 3HE LYS 310 6.482 -6.073 6.564 94 HE3 LYS 310 2HE LYS 310 6.412 -5.817 8.314 95 HZ1 LYS 310 3HZ LYS 310 8.334 -7.130 7.729 96 HZ2 LYS 310 1HZ LYS 310 7.365 -8.280 6.955 97 HZ3 LYS 310 2HZ LYS 310 7.257 -8.074 8.630 98 H LYS 311 HN LYS 311 2.103 -4.046 7.310 99 HA LYS 311 HA LYS 311 0.447 -4.675 9.604 100 HB2 LYS 311 3HB LYS 311 2.262 -2.335 8.985 101 HB3 LYS 311 2HB LYS 311 1.375 -2.528 10.504 102 HG2 LYS 311 3HG LYS 311 2.706 -4.241 11.245 103 HG3 LYS 311 2HG LYS 311 3.145 -4.743 9.602 104 HD2 LYS 311 3HD LYS 311 4.440 -2.581 9.398 105 HD3 LYS 311 2HD LYS 311 4.168 -2.358 11.135 106 HE2 LYS 311 3HE LYS 311 5.134 -4.805 11.291 107 HE3 LYS 311 2HE LYS 311 5.839 -4.386 9.724 108 HZ1 LYS 311 3HZ LYS 311 6.163 -2.408 11.828 109 HZ2 LYS 311 1HZ LYS 311 7.259 -2.923 10.646 110 HZ3 LYS 311 2HZ LYS 311 7.016 -3.852 12.039 111 H CYS 312 HN CYS 312 0.144 -2.948 6.688 112 HA CYS 312 HA CYS 312 -1.495 -0.816 7.308 113 HB2 CYS 312 3HB CYS 312 -0.543 -1.645 5.026 114 HB3 CYS 312 2HB CYS 312 -2.065 -2.530 4.909 115 H THR 313 HN THR 313 -3.659 -0.518 7.661 116 HA THR 313 HA THR 313 -5.110 -2.823 8.651 117 HB THR 313 HB THR 313 -6.824 -1.164 9.347 118 HG1 THR 313 1HG THR 313 -6.204 1.081 9.111 119 HG21 THR 313 3HG2 THR 313 -5.419 -1.457 11.115 120 HG22 THR 313 1HG2 THR 313 -5.044 0.232 10.775 121 HG23 THR 313 2HG2 THR 313 -3.981 -1.044 10.181 122 H TYR 314 HN TYR 314 -5.223 -0.615 5.938 123 HA TYR 314 HA TYR 314 -7.807 -1.162 5.010 124 HB2 TYR 314 3HB TYR 314 -5.424 -0.588 3.241 125 HB3 TYR 314 2HB TYR 314 -7.119 -0.203 2.932 126 HD1 TYR 314 1HD TYR 314 -7.978 1.019 5.454 127 HD2 TYR 314 2HD TYR 314 -4.336 1.481 3.302 128 HE1 TYR 314 1HE TYR 314 -7.681 3.250 6.447 129 HE2 TYR 314 2HE TYR 314 -4.029 3.713 4.290 130 HH TYR 314 HH TYR 314 -6.343 5.458 5.642 131 H GLY 315 HN GLY 315 -4.714 -2.553 3.883 132 HA2 GLY 315 2HA GLY 315 -4.234 -4.674 3.122 133 HA3 GLY 315 3HA GLY 315 -5.819 -5.181 3.686 134 H ILE 316 HN ILE 316 -7.674 -4.670 2.301 135 HA ILE 316 HA ILE 316 -6.931 -4.980 -0.514 136 HB ILE 316 HB ILE 316 -9.669 -5.306 0.709 137 HG12 ILE 316 1HG1 ILE 316 -8.063 -6.852 1.750 138 HG13 ILE 316 2HG1 ILE 316 -9.236 -7.710 0.736 139 HG21 ILE 316 1HG2 ILE 316 -8.469 -5.863 -1.969 140 HG22 ILE 316 2HG2 ILE 316 -9.826 -6.829 -1.393 141 HG23 ILE 316 3HG2 ILE 316 -9.998 -5.084 -1.565 142 HD11 ILE 316 3HD1 ILE 316 -7.649 -8.554 -0.561 143 HD12 ILE 316 1HD1 ILE 316 -6.864 -6.986 -0.753 144 HD13 ILE 316 2HD1 ILE 316 -6.496 -7.990 0.650 145 H LYS 317 HN LYS 317 -8.355 -2.731 1.673 146 HA LYS 317 HA LYS 317 -9.413 -1.105 -0.525 147 HB2 LYS 317 3HB LYS 317 -10.509 0.226 1.208 148 HB3 LYS 317 2HB LYS 317 -10.912 -1.490 1.374 149 HG2 LYS 317 3HG LYS 317 -9.034 -1.603 3.102 150 HG3 LYS 317 2HG LYS 317 -9.088 0.168 3.081 151 HD2 LYS 317 3HD LYS 317 -11.167 0.269 4.053 152 HD3 LYS 317 2HD LYS 317 -11.646 -1.317 3.425 153 HE2 LYS 317 3HE LYS 317 -10.035 -2.379 5.010 154 HE3 LYS 317 2HE LYS 317 -9.731 -0.775 5.690 155 HZ1 LYS 317 3HZ LYS 317 -12.192 -0.666 6.120 156 HZ2 LYS 317 1HZ LYS 317 -11.335 -1.783 7.059 157 HZ3 LYS 317 2HZ LYS 317 -12.260 -2.313 5.746 158 H CYS 318 HN CYS 318 -6.558 -1.420 -0.091 159 HA CYS 318 HA CYS 318 -5.708 1.149 0.993 160 HB2 CYS 318 3HB CYS 318 -4.445 -0.909 1.546 161 HB3 CYS 318 2HB CYS 318 -4.059 -1.109 -0.164 162 H ARG 319 HN ARG 319 -5.016 2.842 -0.193 163 HA ARG 319 HA ARG 319 -5.598 2.855 -3.004 164 HB2 ARG 319 3HB ARG 319 -5.272 5.168 -2.936 165 HB3 ARG 319 2HB ARG 319 -5.907 4.782 -1.330 166 HG2 ARG 319 3HG ARG 319 -3.616 4.804 -0.424 167 HG3 ARG 319 2HG ARG 319 -3.017 5.259 -2.028 168 HD2 ARG 319 3HD ARG 319 -4.914 6.853 -0.289 169 HD3 ARG 319 2HD ARG 319 -3.223 7.230 -0.641 170 HE ARG 319 HE ARG 319 -5.492 7.719 -2.336 171 HH11 ARG 319 2HH1 ARG 319 -2.045 7.236 -2.231 172 HH12 ARG 319 1HH1 ARG 319 -1.752 8.074 -3.719 173 HH21 ARG 319 2HH2 ARG 319 -5.118 8.824 -4.296 174 HH22 ARG 319 1HH2 ARG 319 -3.500 8.978 -4.892 175 H PHE 320 HN PHE 320 -2.737 2.646 -1.011 176 HA PHE 320 HA PHE 320 -0.897 3.130 -3.164 177 HB2 PHE 320 3HB PHE 320 -0.725 2.478 -0.277 178 HB3 PHE 320 2HB PHE 320 0.627 1.934 -1.271 179 HD1 PHE 320 1HD PHE 320 -1.258 4.907 -0.184 180 HD2 PHE 320 2HD PHE 320 2.225 3.445 -2.146 181 HE1 PHE 320 1HE PHE 320 -0.280 7.163 -0.122 182 HE2 PHE 320 2HE PHE 320 3.209 5.700 -2.086 183 HZ PHE 320 HZ PHE 320 1.956 7.563 -1.074 184 H PHE 321 HN PHE 321 0.908 1.401 -3.465 185 HA PHE 321 HA PHE 321 -0.430 -0.995 -4.411 186 HB2 PHE 321 3HB PHE 321 1.087 0.065 -5.952 187 HB3 PHE 321 2HB PHE 321 2.388 0.038 -4.759 188 HD1 PHE 321 2HD PHE 321 3.533 -2.043 -4.185 189 HD2 PHE 321 1HD PHE 321 0.545 -1.909 -7.213 190 HE1 PHE 321 2HE PHE 321 4.296 -4.225 -5.029 191 HE2 PHE 321 1HE PHE 321 1.302 -4.091 -8.061 192 HZ PHE 321 HZ PHE 321 3.180 -5.251 -6.970 193 H HIS 322 HN HIS 322 -0.385 -2.909 -3.432 194 HA HIS 322 HA HIS 322 1.282 -3.208 -1.044 195 HB2 HIS 322 3HB HIS 322 -1.270 -4.430 -2.002 196 HB3 HIS 322 2HB HIS 322 -0.254 -5.370 -0.905 197 HD1 HIS 322 1HD HIS 322 -0.229 -4.726 1.541 198 HD2 HIS 322 2HD HIS 322 -2.295 -2.015 -0.834 199 HE1 HIS 322 1HE HIS 322 -1.400 -3.183 3.145 200 HE2 HIS 322 2HE HIS 322 -2.664 -1.525 1.694 201 HA PRO 323 HA PRO 323 4.021 -6.124 -2.846 202 HB2 PRO 323 3HB PRO 323 4.525 -7.779 -0.723 203 HB3 PRO 323 2HB PRO 323 5.145 -6.133 -0.843 204 HG2 PRO 323 3HG PRO 323 2.729 -7.154 0.614 205 HG3 PRO 323 2HG PRO 323 3.998 -6.004 1.177 206 HD2 PRO 323 3HD PRO 323 1.557 -5.185 0.314 207 HD3 PRO 323 2HD PRO 323 3.032 -4.236 0.057 208 H GLU 324 HN GLU 324 1.182 -7.365 -1.182 209 HA GLU 324 HA GLU 324 1.343 -9.838 -2.766 210 HB2 GLU 324 3HB GLU 324 -0.344 -9.235 -0.324 211 HB3 GLU 324 2HB GLU 324 -0.238 -10.793 -1.160 212 HG2 GLU 324 3HG GLU 324 2.280 -9.574 -0.146 213 HG3 GLU 324 2HG GLU 324 1.155 -10.287 1.019 214 HE2 GLU 324 HE GLU 324 1.680 -13.510 -0.334 215 H ARG 325 HN ARG 325 -0.538 -6.981 -2.173 216 HA ARG 325 HA ARG 325 -2.654 -7.956 -3.966 217 HB2 ARG 325 3HB ARG 325 -2.553 -5.900 -1.795 218 HB3 ARG 325 2HB ARG 325 -3.732 -5.709 -3.102 219 HG2 ARG 325 3HG ARG 325 -3.544 -8.320 -1.655 220 HG3 ARG 325 2HG ARG 325 -4.398 -6.954 -0.920 221 HD2 ARG 325 3HD ARG 325 -4.975 -8.171 -3.632 222 HD3 ARG 325 2HD ARG 325 -5.941 -8.371 -2.163 223 HE ARG 325 HE ARG 325 -5.873 -5.682 -2.502 224 HH11 ARG 325 2HH1 ARG 325 -6.731 -8.350 -4.567 225 HH12 ARG 325 1HH1 ARG 325 -7.894 -7.443 -5.477 226 HH21 ARG 325 2HH2 ARG 325 -7.401 -4.477 -3.692 227 HH22 ARG 325 1HH2 ARG 325 -8.274 -5.240 -4.977 228 HA PRO 326 HA PRO 326 -1.354 -5.334 -7.241 229 HB2 PRO 326 3HB PRO 326 -3.756 -4.809 -8.450 230 HB3 PRO 326 2HB PRO 326 -2.947 -6.374 -8.531 231 HG2 PRO 326 3HG PRO 326 -5.149 -5.463 -6.710 232 HG3 PRO 326 2HG PRO 326 -4.995 -7.007 -7.629 233 HD2 PRO 326 3HD PRO 326 -4.453 -6.820 -4.976 234 HD3 PRO 326 2HD PRO 326 -3.573 -7.914 -6.058 235 H SER 327 HN SER 327 -2.542 -3.232 -8.424 236 HA SER 327 HA SER 327 -2.892 -0.988 -8.285 237 HB2 SER 327 1HB SER 327 -4.842 -1.931 -6.807 238 HB3 SER 327 2HB SER 327 -3.890 -1.268 -5.469 239 HG SER 327 HG SER 327 -5.563 0.088 -6.754
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