USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 696 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 TYR OH : rot 118:sc= 0.026 USER MOD Set 1.2: A 69 HIS : no HD1:sc= 0.0247 X(o=0.051,f=-0.0011) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot 160:sc= -2.86 USER MOD Single : A 29 SER OG : rot -130:sc= -0.679 USER MOD Single : A 30 MET CE :methyl 152:sc= -0.734 (180deg=-2.08!) USER MOD Single : A 32 SER OG : rot 180:sc= -0.566 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc=-0.00264 K(o=-0.0026,f=-0.98) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= -0.482 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc= -0.399 X(o=-0.4,f=0) USER MOD Single : A 79 SER OG : rot -99:sc= 1.27 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 66:sc= 0.07 USER MOD Single : A 92 TYR OH : rot 180:sc= -0.401 USER MOD Single : A 99 HIS : no HD1:sc= -1.07 K(o=-1.1,f=-1.7) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.874 USER MOD Single : A 108 SER OG : rot -89:sc= 0.423 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot -139:sc= 0.435 USER MOD ----------------------------------------------------------------- ATOM 214 N PRO A 18 7.047 -12.399 -5.432 1.00 0.00 N ATOM 215 CA PRO A 18 5.859 -12.656 -4.612 1.00 0.00 C ATOM 216 C PRO A 18 4.571 -12.233 -5.310 1.00 0.00 C ATOM 217 O PRO A 18 4.574 -11.331 -6.147 1.00 0.00 O ATOM 218 CB PRO A 18 6.098 -11.800 -3.365 1.00 0.00 C ATOM 219 CG PRO A 18 7.000 -10.707 -3.823 1.00 0.00 C ATOM 220 CD PRO A 18 7.875 -11.310 -4.887 1.00 0.00 C ATOM 0 HA PRO A 18 5.731 -13.717 -4.399 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.162 -11.402 -2.972 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.557 -12.383 -2.566 1.00 0.00 H new ATOM 0 HG2 PRO A 18 6.427 -9.868 -4.218 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.599 -10.323 -2.997 1.00 0.00 H new ATOM 0 HD2 PRO A 18 8.136 -10.581 -5.654 1.00 0.00 H new ATOM 0 HD3 PRO A 18 8.811 -11.685 -4.473 1.00 0.00 H new ATOM 228 N SER A 19 3.471 -12.892 -4.959 1.00 0.00 N ATOM 229 CA SER A 19 2.175 -12.586 -5.555 1.00 0.00 C ATOM 230 C SER A 19 1.261 -11.900 -4.544 1.00 0.00 C ATOM 231 O SER A 19 0.719 -10.828 -4.809 1.00 0.00 O ATOM 232 CB SER A 19 1.513 -13.865 -6.072 1.00 0.00 C ATOM 233 OG SER A 19 0.260 -13.585 -6.670 1.00 0.00 O ATOM 0 H SER A 19 3.451 -13.640 -4.266 1.00 0.00 H new ATOM 0 HA SER A 19 2.338 -11.906 -6.391 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.166 -14.348 -6.799 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.378 -14.567 -5.249 1.00 0.00 H new ATOM 0 HG SER A 19 -0.142 -14.418 -6.993 1.00 0.00 H new ATOM 239 N ALA A 20 1.094 -12.528 -3.385 1.00 0.00 N ATOM 240 CA ALA A 20 0.248 -11.979 -2.333 1.00 0.00 C ATOM 241 C ALA A 20 0.912 -10.780 -1.664 1.00 0.00 C ATOM 242 O ALA A 20 0.425 -9.651 -1.734 1.00 0.00 O ATOM 243 CB ALA A 20 -0.074 -13.050 -1.301 1.00 0.00 C ATOM 0 H ALA A 20 1.534 -13.418 -3.151 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.682 -11.639 -2.789 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.707 -12.626 -0.521 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.598 -13.875 -1.784 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.851 -13.418 -0.857 1.00 0.00 H new ATOM 249 N PRO A 21 2.050 -11.027 -0.999 1.00 0.00 N ATOM 250 CA PRO A 21 2.805 -9.980 -0.305 1.00 0.00 C ATOM 251 C PRO A 21 3.467 -9.005 -1.272 1.00 0.00 C ATOM 252 O PRO A 21 4.074 -9.397 -2.269 1.00 0.00 O ATOM 253 CB PRO A 21 3.865 -10.763 0.474 1.00 0.00 C ATOM 254 CG PRO A 21 4.037 -12.030 -0.290 1.00 0.00 C ATOM 255 CD PRO A 21 2.688 -12.349 -0.874 1.00 0.00 C ATOM 0 HA PRO A 21 2.163 -9.364 0.324 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.801 -10.208 0.536 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.541 -10.958 1.496 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.784 -11.914 -1.075 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.381 -12.834 0.361 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.776 -12.846 -1.840 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.116 -13.012 -0.225 1.00 0.00 H new ATOM 263 N PRO A 22 3.351 -7.702 -0.973 1.00 0.00 N ATOM 264 CA PRO A 22 2.630 -7.223 0.210 1.00 0.00 C ATOM 265 C PRO A 22 1.124 -7.433 0.097 1.00 0.00 C ATOM 266 O PRO A 22 0.514 -7.080 -0.912 1.00 0.00 O ATOM 267 CB PRO A 22 2.961 -5.729 0.246 1.00 0.00 C ATOM 268 CG PRO A 22 3.272 -5.376 -1.167 1.00 0.00 C ATOM 269 CD PRO A 22 3.912 -6.597 -1.768 1.00 0.00 C ATOM 0 HA PRO A 22 2.924 -7.761 1.111 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.121 -5.146 0.624 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.809 -5.527 0.900 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.367 -5.103 -1.709 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.944 -4.519 -1.216 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.669 -6.699 -2.826 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.999 -6.559 -1.693 1.00 0.00 H new ATOM 277 N GLN A 23 0.531 -8.009 1.137 1.00 0.00 N ATOM 278 CA GLN A 23 -0.904 -8.265 1.153 1.00 0.00 C ATOM 279 C GLN A 23 -1.599 -7.406 2.204 1.00 0.00 C ATOM 280 O GLN A 23 -0.966 -6.584 2.867 1.00 0.00 O ATOM 281 CB GLN A 23 -1.176 -9.745 1.426 1.00 0.00 C ATOM 282 CG GLN A 23 -0.131 -10.403 2.313 1.00 0.00 C ATOM 283 CD GLN A 23 -0.452 -11.853 2.618 1.00 0.00 C ATOM 284 OE1 GLN A 23 -1.591 -12.194 2.939 1.00 0.00 O ATOM 285 NE2 GLN A 23 0.552 -12.715 2.518 1.00 0.00 N ATOM 0 H GLN A 23 1.022 -8.307 1.980 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.305 -8.003 0.174 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -2.154 -9.845 1.896 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.222 -10.278 0.477 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.842 -10.345 1.825 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -0.052 -9.848 3.248 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.480 -12.388 2.249 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.396 -13.704 2.710 1.00 0.00 H new ATOM 294 N LYS A 24 -2.905 -7.600 2.350 1.00 0.00 N ATOM 295 CA LYS A 24 -3.688 -6.844 3.320 1.00 0.00 C ATOM 296 C LYS A 24 -3.117 -5.442 3.506 1.00 0.00 C ATOM 297 O LYS A 24 -2.956 -4.970 4.632 1.00 0.00 O ATOM 298 CB LYS A 24 -3.718 -7.576 4.664 1.00 0.00 C ATOM 299 CG LYS A 24 -3.760 -9.089 4.531 1.00 0.00 C ATOM 300 CD LYS A 24 -4.351 -9.741 5.770 1.00 0.00 C ATOM 301 CE LYS A 24 -3.271 -10.102 6.778 1.00 0.00 C ATOM 302 NZ LYS A 24 -3.795 -10.978 7.863 1.00 0.00 N ATOM 0 H LYS A 24 -3.444 -8.275 1.808 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.705 -6.756 2.938 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.837 -7.295 5.241 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.589 -7.245 5.229 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.352 -9.362 3.657 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.752 -9.469 4.364 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.069 -9.063 6.232 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.898 -10.639 5.484 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.452 -10.608 6.267 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.861 -9.191 7.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.028 -11.201 8.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.560 -10.486 8.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.163 -11.859 7.451 1.00 0.00 H new ATOM 316 N VAL A 25 -2.813 -4.779 2.394 1.00 0.00 N ATOM 317 CA VAL A 25 -2.262 -3.430 2.435 1.00 0.00 C ATOM 318 C VAL A 25 -3.268 -2.443 3.017 1.00 0.00 C ATOM 319 O VAL A 25 -4.251 -2.087 2.367 1.00 0.00 O ATOM 320 CB VAL A 25 -1.844 -2.952 1.032 1.00 0.00 C ATOM 321 CG1 VAL A 25 -1.477 -1.476 1.057 1.00 0.00 C ATOM 322 CG2 VAL A 25 -0.686 -3.788 0.508 1.00 0.00 C ATOM 0 H VAL A 25 -2.939 -5.155 1.454 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.381 -3.467 3.076 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.690 -3.080 0.357 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.184 -1.157 0.057 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.337 -0.893 1.387 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.646 -1.319 1.745 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.403 -3.437 -0.484 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.165 -3.694 1.182 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.989 -4.833 0.450 1.00 0.00 H new ATOM 332 N MET A 26 -3.015 -2.004 4.245 1.00 0.00 N ATOM 333 CA MET A 26 -3.898 -1.056 4.914 1.00 0.00 C ATOM 334 C MET A 26 -3.267 0.332 4.967 1.00 0.00 C ATOM 335 O MET A 26 -2.128 0.489 5.410 1.00 0.00 O ATOM 336 CB MET A 26 -4.219 -1.537 6.331 1.00 0.00 C ATOM 337 CG MET A 26 -4.908 -2.891 6.371 1.00 0.00 C ATOM 338 SD MET A 26 -5.897 -3.123 7.860 1.00 0.00 S ATOM 339 CE MET A 26 -6.578 -4.753 7.564 1.00 0.00 C ATOM 0 H MET A 26 -2.206 -2.289 4.797 1.00 0.00 H new ATOM 0 HA MET A 26 -4.823 -0.994 4.341 1.00 0.00 H new ATOM 0 HB2 MET A 26 -3.294 -1.592 6.906 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.855 -0.800 6.821 1.00 0.00 H new ATOM 0 HG2 MET A 26 -5.548 -2.995 5.495 1.00 0.00 H new ATOM 0 HG3 MET A 26 -4.157 -3.679 6.312 1.00 0.00 H new ATOM 0 HE1 MET A 26 -7.215 -5.039 8.401 1.00 0.00 H new ATOM 0 HE2 MET A 26 -7.167 -4.740 6.647 1.00 0.00 H new ATOM 0 HE3 MET A 26 -5.766 -5.474 7.463 1.00 0.00 H new ATOM 349 N CYS A 27 -4.011 1.334 4.513 1.00 0.00 N ATOM 350 CA CYS A 27 -3.523 2.708 4.507 1.00 0.00 C ATOM 351 C CYS A 27 -4.371 3.590 5.418 1.00 0.00 C ATOM 352 O CYS A 27 -5.586 3.416 5.513 1.00 0.00 O ATOM 353 CB CYS A 27 -3.530 3.268 3.084 1.00 0.00 C ATOM 354 SG CYS A 27 -2.578 2.288 1.900 1.00 0.00 S ATOM 0 H CYS A 27 -4.955 1.221 4.144 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.500 2.706 4.883 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -4.561 3.336 2.737 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -3.132 4.283 3.102 1.00 0.00 H new ATOM 0 HG CYS A 27 -2.970 2.566 0.692 1.00 0.00 H new ATOM 360 N VAL A 28 -3.721 4.536 6.088 1.00 0.00 N ATOM 361 CA VAL A 28 -4.415 5.446 6.993 1.00 0.00 C ATOM 362 C VAL A 28 -3.743 6.814 7.019 1.00 0.00 C ATOM 363 O VAL A 28 -2.522 6.914 7.134 1.00 0.00 O ATOM 364 CB VAL A 28 -4.465 4.882 8.426 1.00 0.00 C ATOM 365 CG1 VAL A 28 -5.306 3.616 8.473 1.00 0.00 C ATOM 366 CG2 VAL A 28 -3.059 4.618 8.943 1.00 0.00 C ATOM 0 H VAL A 28 -2.715 4.693 6.022 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.433 5.552 6.617 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.933 5.623 9.074 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.329 3.232 9.493 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.321 3.841 8.147 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.871 2.865 7.813 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.113 4.220 9.956 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.563 3.895 8.295 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.493 5.549 8.949 1.00 0.00 H new ATOM 376 N SER A 29 -4.549 7.865 6.912 1.00 0.00 N ATOM 377 CA SER A 29 -4.032 9.229 6.921 1.00 0.00 C ATOM 378 C SER A 29 -3.522 9.608 8.307 1.00 0.00 C ATOM 379 O SER A 29 -4.274 9.598 9.281 1.00 0.00 O ATOM 380 CB SER A 29 -5.118 10.211 6.478 1.00 0.00 C ATOM 381 OG SER A 29 -4.901 11.496 7.034 1.00 0.00 O ATOM 0 H SER A 29 -5.562 7.799 6.818 1.00 0.00 H new ATOM 0 HA SER A 29 -3.198 9.280 6.221 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.129 10.279 5.390 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.096 9.839 6.784 1.00 0.00 H new ATOM 0 HG SER A 29 -5.728 11.816 7.450 1.00 0.00 H new ATOM 387 N MET A 30 -2.238 9.941 8.388 1.00 0.00 N ATOM 388 CA MET A 30 -1.626 10.325 9.655 1.00 0.00 C ATOM 389 C MET A 30 -2.124 11.694 10.106 1.00 0.00 C ATOM 390 O MET A 30 -2.358 11.920 11.292 1.00 0.00 O ATOM 391 CB MET A 30 -0.102 10.341 9.525 1.00 0.00 C ATOM 392 CG MET A 30 0.550 9.008 9.857 1.00 0.00 C ATOM 393 SD MET A 30 0.867 8.810 11.621 1.00 0.00 S ATOM 394 CE MET A 30 -0.634 7.986 12.144 1.00 0.00 C ATOM 0 H MET A 30 -1.601 9.953 7.591 1.00 0.00 H new ATOM 0 HA MET A 30 -1.912 9.589 10.406 1.00 0.00 H new ATOM 0 HB2 MET A 30 0.165 10.623 8.506 1.00 0.00 H new ATOM 0 HB3 MET A 30 0.303 11.109 10.185 1.00 0.00 H new ATOM 0 HG2 MET A 30 -0.094 8.198 9.514 1.00 0.00 H new ATOM 0 HG3 MET A 30 1.489 8.921 9.311 1.00 0.00 H new ATOM 0 HE1 MET A 30 -0.425 7.369 13.018 1.00 0.00 H new ATOM 0 HE2 MET A 30 -1.389 8.731 12.397 1.00 0.00 H new ATOM 0 HE3 MET A 30 -1.004 7.356 11.335 1.00 0.00 H new ATOM 404 N GLY A 31 -2.283 12.606 9.151 1.00 0.00 N ATOM 405 CA GLY A 31 -2.752 13.941 9.471 1.00 0.00 C ATOM 406 C GLY A 31 -3.585 14.546 8.358 1.00 0.00 C ATOM 407 O GLY A 31 -4.686 14.077 8.073 1.00 0.00 O ATOM 0 H GLY A 31 -2.095 12.443 8.162 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.344 13.905 10.385 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.896 14.585 9.671 1.00 0.00 H new ATOM 411 N SER A 32 -3.059 15.592 7.728 1.00 0.00 N ATOM 412 CA SER A 32 -3.763 16.265 6.644 1.00 0.00 C ATOM 413 C SER A 32 -2.971 16.176 5.343 1.00 0.00 C ATOM 414 O SER A 32 -3.543 16.034 4.261 1.00 0.00 O ATOM 415 CB SER A 32 -4.014 17.731 7.003 1.00 0.00 C ATOM 416 OG SER A 32 -2.813 18.481 6.951 1.00 0.00 O ATOM 0 H SER A 32 -2.147 15.991 7.950 1.00 0.00 H new ATOM 0 HA SER A 32 -4.721 15.765 6.500 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.743 18.158 6.314 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.444 17.796 8.003 1.00 0.00 H new ATOM 0 HG SER A 32 -3.000 19.415 7.183 1.00 0.00 H new ATOM 422 N THR A 33 -1.649 16.262 5.456 1.00 0.00 N ATOM 423 CA THR A 33 -0.776 16.192 4.291 1.00 0.00 C ATOM 424 C THR A 33 0.199 15.027 4.403 1.00 0.00 C ATOM 425 O THR A 33 1.187 14.957 3.670 1.00 0.00 O ATOM 426 CB THR A 33 0.020 17.498 4.107 1.00 0.00 C ATOM 427 OG1 THR A 33 1.016 17.613 5.129 1.00 0.00 O ATOM 428 CG2 THR A 33 -0.903 18.706 4.154 1.00 0.00 C ATOM 0 H THR A 33 -1.160 16.380 6.343 1.00 0.00 H new ATOM 0 HA THR A 33 -1.418 16.041 3.423 1.00 0.00 H new ATOM 0 HB THR A 33 0.503 17.468 3.131 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.519 18.445 5.004 1.00 0.00 H new ATOM 0 HG21 THR A 33 -0.318 19.616 4.022 1.00 0.00 H new ATOM 0 HG22 THR A 33 -1.642 18.631 3.356 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.411 18.738 5.118 1.00 0.00 H new ATOM 436 N THR A 34 -0.083 14.111 5.324 1.00 0.00 N ATOM 437 CA THR A 34 0.770 12.948 5.533 1.00 0.00 C ATOM 438 C THR A 34 -0.059 11.678 5.683 1.00 0.00 C ATOM 439 O THR A 34 -1.083 11.670 6.365 1.00 0.00 O ATOM 440 CB THR A 34 1.658 13.119 6.780 1.00 0.00 C ATOM 441 OG1 THR A 34 2.527 14.244 6.612 1.00 0.00 O ATOM 442 CG2 THR A 34 2.484 11.866 7.032 1.00 0.00 C ATOM 0 H THR A 34 -0.897 14.152 5.938 1.00 0.00 H new ATOM 0 HA THR A 34 1.407 12.861 4.653 1.00 0.00 H new ATOM 0 HB THR A 34 1.010 13.287 7.640 1.00 0.00 H new ATOM 0 HG1 THR A 34 3.087 14.347 7.410 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.103 12.010 7.917 1.00 0.00 H new ATOM 0 HG22 THR A 34 1.819 11.017 7.189 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.123 11.672 6.170 1.00 0.00 H new ATOM 450 N VAL A 35 0.391 10.604 5.042 1.00 0.00 N ATOM 451 CA VAL A 35 -0.309 9.326 5.106 1.00 0.00 C ATOM 452 C VAL A 35 0.637 8.201 5.509 1.00 0.00 C ATOM 453 O VAL A 35 1.812 8.202 5.141 1.00 0.00 O ATOM 454 CB VAL A 35 -0.960 8.975 3.755 1.00 0.00 C ATOM 455 CG1 VAL A 35 -1.622 7.607 3.821 1.00 0.00 C ATOM 456 CG2 VAL A 35 -1.966 10.044 3.355 1.00 0.00 C ATOM 0 H VAL A 35 1.237 10.593 4.472 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.088 9.429 5.861 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.180 8.939 2.994 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.077 7.376 2.858 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.873 6.852 4.059 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.391 7.612 4.593 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.416 9.780 2.398 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.744 10.114 4.115 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.459 11.005 3.265 1.00 0.00 H new ATOM 466 N ARG A 36 0.117 7.242 6.269 1.00 0.00 N ATOM 467 CA ARG A 36 0.916 6.110 6.723 1.00 0.00 C ATOM 468 C ARG A 36 0.314 4.793 6.244 1.00 0.00 C ATOM 469 O ARG A 36 -0.763 4.393 6.685 1.00 0.00 O ATOM 470 CB ARG A 36 1.018 6.111 8.250 1.00 0.00 C ATOM 471 CG ARG A 36 1.687 4.869 8.816 1.00 0.00 C ATOM 472 CD ARG A 36 1.373 4.692 10.293 1.00 0.00 C ATOM 473 NE ARG A 36 1.966 5.747 11.110 1.00 0.00 N ATOM 474 CZ ARG A 36 1.811 5.832 12.426 1.00 0.00 C ATOM 475 NH1 ARG A 36 1.086 4.930 13.072 1.00 0.00 N ATOM 476 NH2 ARG A 36 2.384 6.822 13.100 1.00 0.00 N ATOM 0 H ARG A 36 -0.853 7.227 6.583 1.00 0.00 H new ATOM 0 HA ARG A 36 1.915 6.209 6.298 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.577 6.991 8.568 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.017 6.199 8.673 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.353 3.991 8.264 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.766 4.941 8.678 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.292 4.688 10.436 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.743 3.723 10.628 1.00 0.00 H new ATOM 0 HE ARG A 36 2.530 6.458 10.644 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.645 4.167 12.558 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.969 4.999 14.083 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.944 7.518 12.607 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.265 6.887 14.111 1.00 0.00 H new ATOM 490 N VAL A 37 1.017 4.122 5.336 1.00 0.00 N ATOM 491 CA VAL A 37 0.553 2.850 4.797 1.00 0.00 C ATOM 492 C VAL A 37 1.385 1.690 5.332 1.00 0.00 C ATOM 493 O VAL A 37 2.610 1.781 5.423 1.00 0.00 O ATOM 494 CB VAL A 37 0.607 2.839 3.258 1.00 0.00 C ATOM 495 CG1 VAL A 37 1.899 3.473 2.765 1.00 0.00 C ATOM 496 CG2 VAL A 37 0.465 1.419 2.730 1.00 0.00 C ATOM 0 H VAL A 37 1.910 4.439 4.959 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.482 2.729 5.118 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.227 3.428 2.878 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.920 3.456 1.675 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.954 4.504 3.113 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.750 2.913 3.153 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.505 1.430 1.641 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.277 0.804 3.117 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.490 1.004 3.053 1.00 0.00 H new ATOM 506 N SER A 38 0.713 0.599 5.685 1.00 0.00 N ATOM 507 CA SER A 38 1.390 -0.579 6.214 1.00 0.00 C ATOM 508 C SER A 38 0.887 -1.847 5.532 1.00 0.00 C ATOM 509 O SER A 38 -0.299 -1.971 5.223 1.00 0.00 O ATOM 510 CB SER A 38 1.176 -0.680 7.725 1.00 0.00 C ATOM 511 OG SER A 38 -0.203 -0.769 8.040 1.00 0.00 O ATOM 0 H SER A 38 -0.300 0.506 5.614 1.00 0.00 H new ATOM 0 HA SER A 38 2.456 -0.477 6.011 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.698 -1.555 8.112 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.609 0.192 8.216 1.00 0.00 H new ATOM 0 HG SER A 38 -0.313 -0.834 9.012 1.00 0.00 H new ATOM 517 N TRP A 39 1.796 -2.787 5.300 1.00 0.00 N ATOM 518 CA TRP A 39 1.446 -4.047 4.654 1.00 0.00 C ATOM 519 C TRP A 39 1.970 -5.234 5.454 1.00 0.00 C ATOM 520 O TRP A 39 2.944 -5.112 6.198 1.00 0.00 O ATOM 521 CB TRP A 39 2.006 -4.088 3.231 1.00 0.00 C ATOM 522 CG TRP A 39 3.427 -3.619 3.139 1.00 0.00 C ATOM 523 CD1 TRP A 39 4.545 -4.400 3.070 1.00 0.00 C ATOM 524 CD2 TRP A 39 3.881 -2.262 3.108 1.00 0.00 C ATOM 525 NE1 TRP A 39 5.667 -3.610 2.998 1.00 0.00 N ATOM 526 CE2 TRP A 39 5.287 -2.295 3.019 1.00 0.00 C ATOM 527 CE3 TRP A 39 3.238 -1.022 3.145 1.00 0.00 C ATOM 528 CZ2 TRP A 39 6.057 -1.135 2.968 1.00 0.00 C ATOM 529 CZ3 TRP A 39 4.003 0.128 3.095 1.00 0.00 C ATOM 530 CH2 TRP A 39 5.400 0.065 3.006 1.00 0.00 C ATOM 0 H TRP A 39 2.781 -2.701 5.550 1.00 0.00 H new ATOM 0 HA TRP A 39 0.359 -4.114 4.611 1.00 0.00 H new ATOM 0 HB2 TRP A 39 1.942 -5.108 2.852 1.00 0.00 H new ATOM 0 HB3 TRP A 39 1.384 -3.469 2.585 1.00 0.00 H new ATOM 0 HD1 TRP A 39 4.547 -5.480 3.072 1.00 0.00 H new ATOM 0 HE1 TRP A 39 6.627 -3.949 2.939 1.00 0.00 H new ATOM 0 HE3 TRP A 39 2.162 -0.963 3.212 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 7.134 -1.181 2.901 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 3.516 1.091 3.125 1.00 0.00 H new ATOM 0 HH2 TRP A 39 5.970 0.982 2.967 1.00 0.00 H new ATOM 541 N VAL A 40 1.319 -6.382 5.298 1.00 0.00 N ATOM 542 CA VAL A 40 1.721 -7.591 6.006 1.00 0.00 C ATOM 543 C VAL A 40 3.107 -8.051 5.566 1.00 0.00 C ATOM 544 O VAL A 40 3.347 -8.346 4.395 1.00 0.00 O ATOM 545 CB VAL A 40 0.716 -8.736 5.778 1.00 0.00 C ATOM 546 CG1 VAL A 40 0.834 -9.778 6.879 1.00 0.00 C ATOM 547 CG2 VAL A 40 -0.702 -8.191 5.698 1.00 0.00 C ATOM 0 H VAL A 40 0.511 -6.500 4.687 1.00 0.00 H new ATOM 0 HA VAL A 40 1.743 -7.343 7.067 1.00 0.00 H new ATOM 0 HB VAL A 40 0.950 -9.218 4.829 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.116 -10.579 6.701 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.843 -10.190 6.884 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.627 -9.314 7.843 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.399 -9.013 5.537 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.950 -7.683 6.630 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.775 -7.486 4.870 1.00 0.00 H new ATOM 656 N ASN A 48 8.196 -16.855 -0.457 1.00 0.00 N ATOM 657 CA ASN A 48 8.195 -16.883 -1.915 1.00 0.00 C ATOM 658 C ASN A 48 9.458 -16.233 -2.472 1.00 0.00 C ATOM 659 O ASN A 48 10.185 -16.839 -3.258 1.00 0.00 O ATOM 660 CB ASN A 48 6.957 -16.166 -2.459 1.00 0.00 C ATOM 661 CG ASN A 48 6.526 -16.700 -3.811 1.00 0.00 C ATOM 662 OD1 ASN A 48 7.313 -17.324 -4.523 1.00 0.00 O ATOM 663 ND2 ASN A 48 5.272 -16.457 -4.171 1.00 0.00 N ATOM 0 HA ASN A 48 8.173 -17.925 -2.234 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.136 -16.276 -1.750 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.166 -15.099 -2.543 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.925 -16.792 -5.070 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.655 -15.935 -3.549 1.00 0.00 H new ATOM 670 N GLY A 49 9.713 -14.996 -2.058 1.00 0.00 N ATOM 671 CA GLY A 49 10.889 -14.285 -2.525 1.00 0.00 C ATOM 672 C GLY A 49 11.445 -13.336 -1.482 1.00 0.00 C ATOM 673 O GLY A 49 10.690 -12.699 -0.747 1.00 0.00 O ATOM 0 H GLY A 49 9.126 -14.473 -1.408 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.658 -15.005 -2.803 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.637 -13.724 -3.425 1.00 0.00 H new ATOM 677 N VAL A 50 12.769 -13.241 -1.416 1.00 0.00 N ATOM 678 CA VAL A 50 13.426 -12.363 -0.455 1.00 0.00 C ATOM 679 C VAL A 50 13.342 -10.905 -0.896 1.00 0.00 C ATOM 680 O VAL A 50 13.998 -10.498 -1.854 1.00 0.00 O ATOM 681 CB VAL A 50 14.905 -12.746 -0.265 1.00 0.00 C ATOM 682 CG1 VAL A 50 15.695 -12.473 -1.536 1.00 0.00 C ATOM 683 CG2 VAL A 50 15.502 -11.994 0.915 1.00 0.00 C ATOM 0 H VAL A 50 13.408 -13.762 -2.017 1.00 0.00 H new ATOM 0 HA VAL A 50 12.903 -12.484 0.494 1.00 0.00 H new ATOM 0 HB VAL A 50 14.962 -13.814 -0.053 1.00 0.00 H new ATOM 0 HG11 VAL A 50 16.738 -12.750 -1.383 1.00 0.00 H new ATOM 0 HG12 VAL A 50 15.280 -13.060 -2.355 1.00 0.00 H new ATOM 0 HG13 VAL A 50 15.633 -11.413 -1.782 1.00 0.00 H new ATOM 0 HG21 VAL A 50 16.548 -12.277 1.035 1.00 0.00 H new ATOM 0 HG22 VAL A 50 15.434 -10.921 0.735 1.00 0.00 H new ATOM 0 HG23 VAL A 50 14.952 -12.245 1.822 1.00 0.00 H new ATOM 693 N ILE A 51 12.530 -10.125 -0.189 1.00 0.00 N ATOM 694 CA ILE A 51 12.362 -8.713 -0.506 1.00 0.00 C ATOM 695 C ILE A 51 13.647 -7.934 -0.247 1.00 0.00 C ATOM 696 O ILE A 51 14.210 -7.988 0.848 1.00 0.00 O ATOM 697 CB ILE A 51 11.220 -8.084 0.313 1.00 0.00 C ATOM 698 CG1 ILE A 51 10.016 -9.028 0.359 1.00 0.00 C ATOM 699 CG2 ILE A 51 10.823 -6.739 -0.276 1.00 0.00 C ATOM 700 CD1 ILE A 51 9.638 -9.591 -0.993 1.00 0.00 C ATOM 0 H ILE A 51 11.979 -10.448 0.606 1.00 0.00 H new ATOM 0 HA ILE A 51 12.113 -8.656 -1.566 1.00 0.00 H new ATOM 0 HB ILE A 51 11.571 -7.922 1.332 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.236 -9.852 1.038 1.00 0.00 H new ATOM 0 HG13 ILE A 51 9.161 -8.493 0.773 1.00 0.00 H new ATOM 0 HG21 ILE A 51 10.015 -6.308 0.314 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.682 -6.068 -0.261 1.00 0.00 H new ATOM 0 HG23 ILE A 51 10.488 -6.877 -1.304 1.00 0.00 H new ATOM 0 HD11 ILE A 51 8.777 -10.251 -0.885 1.00 0.00 H new ATOM 0 HD12 ILE A 51 9.386 -8.774 -1.670 1.00 0.00 H new ATOM 0 HD13 ILE A 51 10.478 -10.154 -1.400 1.00 0.00 H new ATOM 712 N THR A 52 14.108 -7.207 -1.260 1.00 0.00 N ATOM 713 CA THR A 52 15.326 -6.417 -1.143 1.00 0.00 C ATOM 714 C THR A 52 15.006 -4.939 -0.944 1.00 0.00 C ATOM 715 O THR A 52 15.836 -4.176 -0.451 1.00 0.00 O ATOM 716 CB THR A 52 16.220 -6.573 -2.387 1.00 0.00 C ATOM 717 OG1 THR A 52 17.412 -5.794 -2.235 1.00 0.00 O ATOM 718 CG2 THR A 52 15.480 -6.139 -3.643 1.00 0.00 C ATOM 0 H THR A 52 13.655 -7.149 -2.172 1.00 0.00 H new ATOM 0 HA THR A 52 15.862 -6.791 -0.271 1.00 0.00 H new ATOM 0 HB THR A 52 16.485 -7.625 -2.487 1.00 0.00 H new ATOM 0 HG1 THR A 52 17.976 -5.900 -3.030 1.00 0.00 H new ATOM 0 HG21 THR A 52 16.132 -6.258 -4.509 1.00 0.00 H new ATOM 0 HG22 THR A 52 14.590 -6.754 -3.772 1.00 0.00 H new ATOM 0 HG23 THR A 52 15.188 -5.093 -3.550 1.00 0.00 H new ATOM 726 N GLN A 53 13.797 -4.544 -1.330 1.00 0.00 N ATOM 727 CA GLN A 53 13.368 -3.157 -1.194 1.00 0.00 C ATOM 728 C GLN A 53 11.873 -3.021 -1.461 1.00 0.00 C ATOM 729 O GLN A 53 11.290 -3.813 -2.202 1.00 0.00 O ATOM 730 CB GLN A 53 14.153 -2.261 -2.154 1.00 0.00 C ATOM 731 CG GLN A 53 13.888 -2.562 -3.620 1.00 0.00 C ATOM 732 CD GLN A 53 14.665 -1.653 -4.552 1.00 0.00 C ATOM 733 OE1 GLN A 53 15.609 -2.084 -5.215 1.00 0.00 O ATOM 734 NE2 GLN A 53 14.271 -0.386 -4.608 1.00 0.00 N ATOM 0 H GLN A 53 13.098 -5.164 -1.739 1.00 0.00 H new ATOM 0 HA GLN A 53 13.566 -2.841 -0.170 1.00 0.00 H new ATOM 0 HB2 GLN A 53 13.901 -1.220 -1.954 1.00 0.00 H new ATOM 0 HB3 GLN A 53 15.219 -2.375 -1.955 1.00 0.00 H new ATOM 0 HG2 GLN A 53 14.151 -3.599 -3.827 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.822 -2.457 -3.822 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.484 -0.071 -4.041 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.756 0.272 -5.218 1.00 0.00 H new ATOM 743 N TYR A 54 11.258 -2.013 -0.852 1.00 0.00 N ATOM 744 CA TYR A 54 9.829 -1.775 -1.022 1.00 0.00 C ATOM 745 C TYR A 54 9.578 -0.439 -1.713 1.00 0.00 C ATOM 746 O TYR A 54 10.288 0.539 -1.477 1.00 0.00 O ATOM 747 CB TYR A 54 9.122 -1.801 0.334 1.00 0.00 C ATOM 748 CG TYR A 54 8.859 -3.197 0.853 1.00 0.00 C ATOM 749 CD1 TYR A 54 7.730 -3.905 0.459 1.00 0.00 C ATOM 750 CD2 TYR A 54 9.738 -3.807 1.739 1.00 0.00 C ATOM 751 CE1 TYR A 54 7.485 -5.180 0.931 1.00 0.00 C ATOM 752 CE2 TYR A 54 9.502 -5.082 2.215 1.00 0.00 C ATOM 753 CZ TYR A 54 8.374 -5.764 1.808 1.00 0.00 C ATOM 754 OH TYR A 54 8.135 -7.034 2.281 1.00 0.00 O ATOM 0 H TYR A 54 11.726 -1.348 -0.237 1.00 0.00 H new ATOM 0 HA TYR A 54 9.426 -2.570 -1.650 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.728 -1.260 1.061 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.174 -1.269 0.251 1.00 0.00 H new ATOM 0 HD1 TYR A 54 7.032 -3.450 -0.228 1.00 0.00 H new ATOM 0 HD2 TYR A 54 10.621 -3.275 2.061 1.00 0.00 H new ATOM 0 HE1 TYR A 54 6.602 -5.716 0.615 1.00 0.00 H new ATOM 0 HE2 TYR A 54 10.197 -5.542 2.902 1.00 0.00 H new ATOM 0 HH TYR A 54 8.858 -7.298 2.888 1.00 0.00 H new ATOM 764 N SER A 55 8.561 -0.404 -2.569 1.00 0.00 N ATOM 765 CA SER A 55 8.216 0.810 -3.298 1.00 0.00 C ATOM 766 C SER A 55 6.806 1.273 -2.947 1.00 0.00 C ATOM 767 O SER A 55 5.913 0.458 -2.712 1.00 0.00 O ATOM 768 CB SER A 55 8.327 0.574 -4.806 1.00 0.00 C ATOM 769 OG SER A 55 8.681 1.767 -5.484 1.00 0.00 O ATOM 0 H SER A 55 7.962 -1.203 -2.774 1.00 0.00 H new ATOM 0 HA SER A 55 8.919 1.591 -3.007 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.074 -0.195 -5.003 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.377 0.202 -5.190 1.00 0.00 H new ATOM 0 HG SER A 55 8.747 1.589 -6.446 1.00 0.00 H new ATOM 775 N VAL A 56 6.612 2.588 -2.912 1.00 0.00 N ATOM 776 CA VAL A 56 5.311 3.161 -2.591 1.00 0.00 C ATOM 777 C VAL A 56 5.000 4.355 -3.486 1.00 0.00 C ATOM 778 O VAL A 56 5.817 5.262 -3.634 1.00 0.00 O ATOM 779 CB VAL A 56 5.242 3.606 -1.118 1.00 0.00 C ATOM 780 CG1 VAL A 56 3.872 4.185 -0.798 1.00 0.00 C ATOM 781 CG2 VAL A 56 5.567 2.442 -0.194 1.00 0.00 C ATOM 0 H VAL A 56 7.340 3.276 -3.102 1.00 0.00 H new ATOM 0 HA VAL A 56 4.570 2.380 -2.762 1.00 0.00 H new ATOM 0 HB VAL A 56 5.986 4.386 -0.957 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.843 4.494 0.247 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.683 5.048 -1.437 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.107 3.429 -0.975 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.514 2.774 0.843 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.849 1.638 -0.355 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.572 2.078 -0.407 1.00 0.00 H new ATOM 791 N ALA A 57 3.811 4.347 -4.081 1.00 0.00 N ATOM 792 CA ALA A 57 3.391 5.430 -4.961 1.00 0.00 C ATOM 793 C ALA A 57 2.051 6.008 -4.518 1.00 0.00 C ATOM 794 O ALA A 57 1.228 5.310 -3.925 1.00 0.00 O ATOM 795 CB ALA A 57 3.307 4.940 -6.399 1.00 0.00 C ATOM 0 H ALA A 57 3.122 3.603 -3.969 1.00 0.00 H new ATOM 0 HA ALA A 57 4.137 6.223 -4.902 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.992 5.760 -7.045 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.285 4.581 -6.719 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.583 4.128 -6.465 1.00 0.00 H new ATOM 801 N TYR A 58 1.838 7.287 -4.809 1.00 0.00 N ATOM 802 CA TYR A 58 0.599 7.959 -4.437 1.00 0.00 C ATOM 803 C TYR A 58 0.127 8.887 -5.552 1.00 0.00 C ATOM 804 O TYR A 58 0.932 9.557 -6.199 1.00 0.00 O ATOM 805 CB TYR A 58 0.793 8.753 -3.144 1.00 0.00 C ATOM 806 CG TYR A 58 2.017 9.641 -3.157 1.00 0.00 C ATOM 807 CD1 TYR A 58 3.275 9.126 -2.871 1.00 0.00 C ATOM 808 CD2 TYR A 58 1.915 10.994 -3.454 1.00 0.00 C ATOM 809 CE1 TYR A 58 4.397 9.933 -2.881 1.00 0.00 C ATOM 810 CE2 TYR A 58 3.031 11.808 -3.467 1.00 0.00 C ATOM 811 CZ TYR A 58 4.270 11.273 -3.180 1.00 0.00 C ATOM 812 OH TYR A 58 5.383 12.081 -3.191 1.00 0.00 O ATOM 0 H TYR A 58 2.507 7.879 -5.301 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.164 7.197 -4.276 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.090 9.368 -2.969 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.868 8.057 -2.308 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.378 8.077 -2.637 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.947 11.417 -3.679 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.368 9.516 -2.656 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.934 12.858 -3.701 1.00 0.00 H new ATOM 0 HH TYR A 58 5.512 12.448 -4.090 1.00 0.00 H new ATOM 822 N GLU A 59 -1.184 8.922 -5.770 1.00 0.00 N ATOM 823 CA GLU A 59 -1.763 9.768 -6.807 1.00 0.00 C ATOM 824 C GLU A 59 -3.182 10.190 -6.435 1.00 0.00 C ATOM 825 O GLU A 59 -4.039 9.350 -6.160 1.00 0.00 O ATOM 826 CB GLU A 59 -1.773 9.033 -8.149 1.00 0.00 C ATOM 827 CG GLU A 59 -2.068 9.937 -9.335 1.00 0.00 C ATOM 828 CD GLU A 59 -2.611 9.174 -10.528 1.00 0.00 C ATOM 829 OE1 GLU A 59 -3.456 8.277 -10.323 1.00 0.00 O ATOM 830 OE2 GLU A 59 -2.192 9.474 -11.665 1.00 0.00 O ATOM 0 H GLU A 59 -1.865 8.375 -5.243 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.148 10.663 -6.896 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.805 8.555 -8.299 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.519 8.239 -8.113 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.789 10.698 -9.037 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.156 10.458 -9.626 1.00 0.00 H new ATOM 837 N ALA A 60 -3.421 11.497 -6.427 1.00 0.00 N ATOM 838 CA ALA A 60 -4.735 12.031 -6.091 1.00 0.00 C ATOM 839 C ALA A 60 -5.768 11.653 -7.146 1.00 0.00 C ATOM 840 O ALA A 60 -5.595 11.941 -8.330 1.00 0.00 O ATOM 841 CB ALA A 60 -4.666 13.543 -5.935 1.00 0.00 C ATOM 0 H ALA A 60 -2.722 12.206 -6.649 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.046 11.592 -5.143 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.654 13.928 -5.684 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.965 13.795 -5.139 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.329 13.990 -6.870 1.00 0.00 H new ATOM 847 N VAL A 61 -6.844 11.005 -6.709 1.00 0.00 N ATOM 848 CA VAL A 61 -7.906 10.587 -7.616 1.00 0.00 C ATOM 849 C VAL A 61 -8.990 11.653 -7.722 1.00 0.00 C ATOM 850 O VAL A 61 -9.639 11.793 -8.759 1.00 0.00 O ATOM 851 CB VAL A 61 -8.546 9.263 -7.159 1.00 0.00 C ATOM 852 CG1 VAL A 61 -9.250 9.444 -5.823 1.00 0.00 C ATOM 853 CG2 VAL A 61 -9.512 8.746 -8.214 1.00 0.00 C ATOM 0 H VAL A 61 -7.003 10.758 -5.732 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.447 10.441 -8.594 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.756 8.523 -7.029 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -9.696 8.498 -5.516 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.528 9.766 -5.072 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -10.031 10.198 -5.922 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -9.955 7.810 -7.874 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -10.300 9.482 -8.378 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -8.975 8.576 -9.147 1.00 0.00 H new ATOM 863 N ASP A 62 -9.180 12.404 -6.643 1.00 0.00 N ATOM 864 CA ASP A 62 -10.185 13.460 -6.614 1.00 0.00 C ATOM 865 C ASP A 62 -9.551 14.804 -6.270 1.00 0.00 C ATOM 866 O ASP A 62 -10.230 15.724 -5.815 1.00 0.00 O ATOM 867 CB ASP A 62 -11.280 13.124 -5.599 1.00 0.00 C ATOM 868 CG ASP A 62 -12.618 13.735 -5.968 1.00 0.00 C ATOM 869 OD1 ASP A 62 -13.377 13.090 -6.720 1.00 0.00 O ATOM 870 OD2 ASP A 62 -12.905 14.859 -5.505 1.00 0.00 O ATOM 0 H ASP A 62 -8.651 12.301 -5.777 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.630 13.532 -7.607 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.385 12.041 -5.527 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.980 13.481 -4.614 1.00 0.00 H new ATOM 875 N GLY A 63 -8.244 14.910 -6.490 1.00 0.00 N ATOM 876 CA GLY A 63 -7.540 16.145 -6.197 1.00 0.00 C ATOM 877 C GLY A 63 -7.407 17.039 -7.413 1.00 0.00 C ATOM 878 O GLY A 63 -8.139 16.882 -8.390 1.00 0.00 O ATOM 0 H GLY A 63 -7.660 14.163 -6.866 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.069 16.683 -5.410 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.548 15.911 -5.812 1.00 0.00 H new ATOM 882 N GLU A 64 -6.471 17.981 -7.354 1.00 0.00 N ATOM 883 CA GLU A 64 -6.247 18.906 -8.459 1.00 0.00 C ATOM 884 C GLU A 64 -5.264 18.320 -9.468 1.00 0.00 C ATOM 885 O GLU A 64 -5.506 18.346 -10.675 1.00 0.00 O ATOM 886 CB GLU A 64 -5.721 20.244 -7.936 1.00 0.00 C ATOM 887 CG GLU A 64 -6.730 21.007 -7.093 1.00 0.00 C ATOM 888 CD GLU A 64 -6.150 22.274 -6.496 1.00 0.00 C ATOM 889 OE1 GLU A 64 -5.259 22.876 -7.129 1.00 0.00 O ATOM 890 OE2 GLU A 64 -6.590 22.665 -5.394 1.00 0.00 O ATOM 0 H GLU A 64 -5.856 18.124 -6.553 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.201 19.070 -8.960 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.825 20.065 -7.342 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.424 20.864 -8.782 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.593 21.261 -7.708 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.089 20.363 -6.290 1.00 0.00 H new ATOM 897 N ASP A 65 -4.153 17.792 -8.965 1.00 0.00 N ATOM 898 CA ASP A 65 -3.133 17.199 -9.821 1.00 0.00 C ATOM 899 C ASP A 65 -3.242 15.678 -9.823 1.00 0.00 C ATOM 900 O ASP A 65 -3.214 15.042 -8.770 1.00 0.00 O ATOM 901 CB ASP A 65 -1.738 17.622 -9.356 1.00 0.00 C ATOM 902 CG ASP A 65 -0.638 17.035 -10.219 1.00 0.00 C ATOM 903 OD1 ASP A 65 -0.928 16.651 -11.371 1.00 0.00 O ATOM 904 OD2 ASP A 65 0.514 16.962 -9.742 1.00 0.00 O ATOM 0 H ASP A 65 -3.936 17.763 -7.969 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.293 17.558 -10.838 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -1.667 18.710 -9.372 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.592 17.308 -8.322 1.00 0.00 H new ATOM 909 N ARG A 66 -3.369 15.100 -11.014 1.00 0.00 N ATOM 910 CA ARG A 66 -3.486 13.654 -11.153 1.00 0.00 C ATOM 911 C ARG A 66 -2.114 13.014 -11.349 1.00 0.00 C ATOM 912 O ARG A 66 -2.001 11.919 -11.898 1.00 0.00 O ATOM 913 CB ARG A 66 -4.396 13.305 -12.331 1.00 0.00 C ATOM 914 CG ARG A 66 -5.870 13.248 -11.966 1.00 0.00 C ATOM 915 CD ARG A 66 -6.221 11.943 -11.269 1.00 0.00 C ATOM 916 NE ARG A 66 -6.554 10.886 -12.220 1.00 0.00 N ATOM 917 CZ ARG A 66 -6.627 9.600 -11.895 1.00 0.00 C ATOM 918 NH1 ARG A 66 -6.392 9.214 -10.649 1.00 0.00 N ATOM 919 NH2 ARG A 66 -6.936 8.698 -12.817 1.00 0.00 N ATOM 0 H ARG A 66 -3.393 15.612 -11.896 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.924 13.261 -10.236 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.254 14.044 -13.120 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -4.094 12.341 -12.739 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.118 14.087 -11.316 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.474 13.354 -12.867 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.381 11.624 -10.652 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.065 12.106 -10.598 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.741 11.150 -13.187 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.155 9.905 -9.937 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -6.449 8.226 -10.402 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.118 8.991 -13.777 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -6.992 7.711 -12.566 1.00 0.00 H new ATOM 933 N GLY A 67 -1.073 13.707 -10.897 1.00 0.00 N ATOM 934 CA GLY A 67 0.277 13.192 -11.033 1.00 0.00 C ATOM 935 C GLY A 67 0.610 12.155 -9.979 1.00 0.00 C ATOM 936 O GLY A 67 0.523 12.428 -8.782 1.00 0.00 O ATOM 0 H GLY A 67 -1.141 14.616 -10.439 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.397 12.751 -12.023 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.986 14.017 -10.964 1.00 0.00 H new ATOM 940 N ARG A 68 0.992 10.963 -10.424 1.00 0.00 N ATOM 941 CA ARG A 68 1.338 9.881 -9.510 1.00 0.00 C ATOM 942 C ARG A 68 2.819 9.927 -9.147 1.00 0.00 C ATOM 943 O ARG A 68 3.685 9.882 -10.021 1.00 0.00 O ATOM 944 CB ARG A 68 0.997 8.527 -10.136 1.00 0.00 C ATOM 945 CG ARG A 68 1.497 7.340 -9.329 1.00 0.00 C ATOM 946 CD ARG A 68 1.438 6.053 -10.137 1.00 0.00 C ATOM 947 NE ARG A 68 0.132 5.407 -10.042 1.00 0.00 N ATOM 948 CZ ARG A 68 -0.220 4.352 -10.768 1.00 0.00 C ATOM 949 NH1 ARG A 68 0.632 3.827 -11.638 1.00 0.00 N ATOM 950 NH2 ARG A 68 -1.427 3.819 -10.625 1.00 0.00 N ATOM 0 H ARG A 68 1.070 10.722 -11.412 1.00 0.00 H new ATOM 0 HA ARG A 68 0.755 10.010 -8.598 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.085 8.450 -10.248 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.425 8.481 -11.137 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.523 7.523 -9.008 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.895 7.232 -8.427 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.660 6.270 -11.182 1.00 0.00 H new ATOM 0 HD3 ARG A 68 2.208 5.367 -9.784 1.00 0.00 H new ATOM 0 HE ARG A 68 -0.547 5.787 -9.382 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.561 4.233 -11.751 1.00 0.00 H new ATOM 0 HH12 ARG A 68 0.359 3.017 -12.194 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.086 4.220 -9.957 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -1.696 3.009 -11.183 1.00 0.00 H new ATOM 964 N HIS A 69 3.103 10.019 -7.851 1.00 0.00 N ATOM 965 CA HIS A 69 4.480 10.072 -7.373 1.00 0.00 C ATOM 966 C HIS A 69 4.958 8.689 -6.939 1.00 0.00 C ATOM 967 O HIS A 69 4.152 7.795 -6.681 1.00 0.00 O ATOM 968 CB HIS A 69 4.599 11.054 -6.207 1.00 0.00 C ATOM 969 CG HIS A 69 4.728 12.483 -6.638 1.00 0.00 C ATOM 970 ND1 HIS A 69 5.846 13.249 -6.383 1.00 0.00 N ATOM 971 CD2 HIS A 69 3.871 13.284 -7.314 1.00 0.00 C ATOM 972 CE1 HIS A 69 5.670 14.460 -6.880 1.00 0.00 C ATOM 973 NE2 HIS A 69 4.480 14.507 -7.451 1.00 0.00 N ATOM 0 H HIS A 69 2.399 10.058 -7.114 1.00 0.00 H new ATOM 0 HA HIS A 69 5.111 10.414 -8.193 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.722 10.954 -5.567 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.466 10.785 -5.604 1.00 0.00 H new ATOM 0 HD2 HIS A 69 2.891 13.012 -7.678 1.00 0.00 H new ATOM 0 HE1 HIS A 69 6.379 15.273 -6.828 1.00 0.00 H new ATOM 0 HE2 HIS A 69 4.078 15.320 -7.918 1.00 0.00 H new ATOM 982 N VAL A 70 6.274 8.521 -6.862 1.00 0.00 N ATOM 983 CA VAL A 70 6.859 7.247 -6.459 1.00 0.00 C ATOM 984 C VAL A 70 7.954 7.450 -5.419 1.00 0.00 C ATOM 985 O VAL A 70 8.749 8.386 -5.512 1.00 0.00 O ATOM 986 CB VAL A 70 7.447 6.493 -7.667 1.00 0.00 C ATOM 987 CG1 VAL A 70 8.033 5.159 -7.230 1.00 0.00 C ATOM 988 CG2 VAL A 70 6.386 6.294 -8.738 1.00 0.00 C ATOM 0 H VAL A 70 6.955 9.250 -7.073 1.00 0.00 H new ATOM 0 HA VAL A 70 6.055 6.652 -6.025 1.00 0.00 H new ATOM 0 HB VAL A 70 8.251 7.094 -8.092 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.444 4.641 -8.096 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.825 5.331 -6.501 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.251 4.548 -6.779 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.819 5.760 -9.584 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.559 5.715 -8.328 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.019 7.265 -9.071 1.00 0.00 H new ATOM 998 N VAL A 71 7.991 6.567 -4.426 1.00 0.00 N ATOM 999 CA VAL A 71 8.991 6.648 -3.367 1.00 0.00 C ATOM 1000 C VAL A 71 10.152 5.696 -3.634 1.00 0.00 C ATOM 1001 O VAL A 71 9.947 4.521 -3.940 1.00 0.00 O ATOM 1002 CB VAL A 71 8.379 6.321 -1.992 1.00 0.00 C ATOM 1003 CG1 VAL A 71 9.443 6.375 -0.907 1.00 0.00 C ATOM 1004 CG2 VAL A 71 7.236 7.275 -1.678 1.00 0.00 C ATOM 0 H VAL A 71 7.340 5.787 -4.333 1.00 0.00 H new ATOM 0 HA VAL A 71 9.361 7.673 -3.357 1.00 0.00 H new ATOM 0 HB VAL A 71 7.978 5.308 -2.023 1.00 0.00 H new ATOM 0 HG11 VAL A 71 8.992 6.141 0.057 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.225 5.648 -1.127 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.876 7.374 -0.872 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.815 7.030 -0.703 1.00 0.00 H new ATOM 0 HG22 VAL A 71 7.610 8.299 -1.665 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.463 7.181 -2.441 1.00 0.00 H new ATOM 1014 N ASP A 72 11.370 6.211 -3.515 1.00 0.00 N ATOM 1015 CA ASP A 72 12.566 5.407 -3.742 1.00 0.00 C ATOM 1016 C ASP A 72 13.494 5.461 -2.532 1.00 0.00 C ATOM 1017 O ASP A 72 13.529 6.455 -1.808 1.00 0.00 O ATOM 1018 CB ASP A 72 13.304 5.893 -4.990 1.00 0.00 C ATOM 1019 CG ASP A 72 13.495 7.397 -5.001 1.00 0.00 C ATOM 1020 OD1 ASP A 72 12.507 8.119 -5.251 1.00 0.00 O ATOM 1021 OD2 ASP A 72 14.632 7.852 -4.758 1.00 0.00 O ATOM 0 H ASP A 72 11.556 7.182 -3.263 1.00 0.00 H new ATOM 0 HA ASP A 72 12.256 4.373 -3.893 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.277 5.406 -5.046 1.00 0.00 H new ATOM 0 HB3 ASP A 72 12.747 5.594 -5.878 1.00 0.00 H new ATOM 1026 N GLY A 73 14.245 4.385 -2.320 1.00 0.00 N ATOM 1027 CA GLY A 73 15.162 4.330 -1.197 1.00 0.00 C ATOM 1028 C GLY A 73 14.473 3.942 0.096 1.00 0.00 C ATOM 1029 O GLY A 73 14.579 4.648 1.100 1.00 0.00 O ATOM 0 H GLY A 73 14.235 3.550 -2.906 1.00 0.00 H new ATOM 0 HA2 GLY A 73 15.953 3.612 -1.413 1.00 0.00 H new ATOM 0 HA3 GLY A 73 15.639 5.302 -1.073 1.00 0.00 H new ATOM 1033 N ILE A 74 13.764 2.818 0.073 1.00 0.00 N ATOM 1034 CA ILE A 74 13.055 2.338 1.253 1.00 0.00 C ATOM 1035 C ILE A 74 13.695 1.067 1.801 1.00 0.00 C ATOM 1036 O ILE A 74 13.834 0.073 1.088 1.00 0.00 O ATOM 1037 CB ILE A 74 11.572 2.060 0.944 1.00 0.00 C ATOM 1038 CG1 ILE A 74 10.885 3.334 0.447 1.00 0.00 C ATOM 1039 CG2 ILE A 74 10.866 1.518 2.177 1.00 0.00 C ATOM 1040 CD1 ILE A 74 9.438 3.126 0.054 1.00 0.00 C ATOM 0 H ILE A 74 13.665 2.223 -0.750 1.00 0.00 H new ATOM 0 HA ILE A 74 13.121 3.127 2.002 1.00 0.00 H new ATOM 0 HB ILE A 74 11.515 1.308 0.157 1.00 0.00 H new ATOM 0 HG12 ILE A 74 10.936 4.093 1.228 1.00 0.00 H new ATOM 0 HG13 ILE A 74 11.434 3.722 -0.411 1.00 0.00 H new ATOM 0 HG21 ILE A 74 9.819 1.327 1.942 1.00 0.00 H new ATOM 0 HG22 ILE A 74 11.343 0.589 2.491 1.00 0.00 H new ATOM 0 HG23 ILE A 74 10.929 2.249 2.983 1.00 0.00 H new ATOM 0 HD11 ILE A 74 9.015 4.070 -0.288 1.00 0.00 H new ATOM 0 HD12 ILE A 74 9.381 2.391 -0.749 1.00 0.00 H new ATOM 0 HD13 ILE A 74 8.875 2.767 0.916 1.00 0.00 H new ATOM 1052 N SER A 75 14.083 1.107 3.072 1.00 0.00 N ATOM 1053 CA SER A 75 14.710 -0.041 3.715 1.00 0.00 C ATOM 1054 C SER A 75 13.771 -1.244 3.717 1.00 0.00 C ATOM 1055 O SER A 75 12.636 -1.158 4.186 1.00 0.00 O ATOM 1056 CB SER A 75 15.113 0.309 5.150 1.00 0.00 C ATOM 1057 OG SER A 75 16.431 0.827 5.198 1.00 0.00 O ATOM 0 H SER A 75 13.974 1.922 3.676 1.00 0.00 H new ATOM 0 HA SER A 75 15.603 -0.301 3.147 1.00 0.00 H new ATOM 0 HB2 SER A 75 14.416 1.041 5.558 1.00 0.00 H new ATOM 0 HB3 SER A 75 15.045 -0.580 5.777 1.00 0.00 H new ATOM 0 HG SER A 75 16.664 1.044 6.125 1.00 0.00 H new ATOM 1063 N ARG A 76 14.254 -2.364 3.190 1.00 0.00 N ATOM 1064 CA ARG A 76 13.459 -3.584 3.129 1.00 0.00 C ATOM 1065 C ARG A 76 12.937 -3.962 4.512 1.00 0.00 C ATOM 1066 O ARG A 76 12.015 -4.768 4.638 1.00 0.00 O ATOM 1067 CB ARG A 76 14.290 -4.732 2.554 1.00 0.00 C ATOM 1068 CG ARG A 76 15.497 -5.095 3.404 1.00 0.00 C ATOM 1069 CD ARG A 76 16.317 -6.204 2.763 1.00 0.00 C ATOM 1070 NE ARG A 76 17.608 -6.381 3.423 1.00 0.00 N ATOM 1071 CZ ARG A 76 18.411 -7.415 3.199 1.00 0.00 C ATOM 1072 NH1 ARG A 76 18.058 -8.359 2.337 1.00 0.00 N ATOM 1073 NH2 ARG A 76 19.571 -7.506 3.838 1.00 0.00 N ATOM 0 H ARG A 76 15.192 -2.452 2.799 1.00 0.00 H new ATOM 0 HA ARG A 76 12.606 -3.400 2.475 1.00 0.00 H new ATOM 0 HB2 ARG A 76 13.654 -5.611 2.446 1.00 0.00 H new ATOM 0 HB3 ARG A 76 14.629 -4.459 1.555 1.00 0.00 H new ATOM 0 HG2 ARG A 76 16.122 -4.214 3.545 1.00 0.00 H new ATOM 0 HG3 ARG A 76 15.165 -5.412 4.393 1.00 0.00 H new ATOM 0 HD2 ARG A 76 15.758 -7.139 2.804 1.00 0.00 H new ATOM 0 HD3 ARG A 76 16.477 -5.974 1.710 1.00 0.00 H new ATOM 0 HE ARG A 76 17.909 -5.672 4.092 1.00 0.00 H new ATOM 0 HH11 ARG A 76 17.168 -8.292 1.844 1.00 0.00 H new ATOM 0 HH12 ARG A 76 18.677 -9.152 2.167 1.00 0.00 H new ATOM 0 HH21 ARG A 76 19.846 -6.782 4.501 1.00 0.00 H new ATOM 0 HH22 ARG A 76 20.187 -8.300 3.666 1.00 0.00 H new ATOM 1087 N GLU A 77 13.533 -3.376 5.545 1.00 0.00 N ATOM 1088 CA GLU A 77 13.129 -3.653 6.918 1.00 0.00 C ATOM 1089 C GLU A 77 11.980 -2.741 7.342 1.00 0.00 C ATOM 1090 O GLU A 77 11.681 -2.612 8.529 1.00 0.00 O ATOM 1091 CB GLU A 77 14.314 -3.473 7.869 1.00 0.00 C ATOM 1092 CG GLU A 77 15.204 -4.700 7.971 1.00 0.00 C ATOM 1093 CD GLU A 77 14.535 -5.847 8.704 1.00 0.00 C ATOM 1094 OE1 GLU A 77 14.542 -5.835 9.953 1.00 0.00 O ATOM 1095 OE2 GLU A 77 14.006 -6.755 8.031 1.00 0.00 O ATOM 0 H GLU A 77 14.297 -2.706 5.457 1.00 0.00 H new ATOM 0 HA GLU A 77 12.787 -4.687 6.967 1.00 0.00 H new ATOM 0 HB2 GLU A 77 14.913 -2.627 7.533 1.00 0.00 H new ATOM 0 HB3 GLU A 77 13.938 -3.224 8.861 1.00 0.00 H new ATOM 0 HG2 GLU A 77 15.482 -5.027 6.969 1.00 0.00 H new ATOM 0 HG3 GLU A 77 16.127 -4.433 8.487 1.00 0.00 H new ATOM 1102 N HIS A 78 11.341 -2.111 6.362 1.00 0.00 N ATOM 1103 CA HIS A 78 10.225 -1.211 6.632 1.00 0.00 C ATOM 1104 C HIS A 78 8.963 -1.679 5.913 1.00 0.00 C ATOM 1105 O HIS A 78 8.770 -1.396 4.731 1.00 0.00 O ATOM 1106 CB HIS A 78 10.575 0.213 6.199 1.00 0.00 C ATOM 1107 CG HIS A 78 11.290 1.001 7.253 1.00 0.00 C ATOM 1108 ND1 HIS A 78 10.651 1.886 8.095 1.00 0.00 N ATOM 1109 CD2 HIS A 78 12.598 1.031 7.600 1.00 0.00 C ATOM 1110 CE1 HIS A 78 11.535 2.428 8.913 1.00 0.00 C ATOM 1111 NE2 HIS A 78 12.725 1.926 8.634 1.00 0.00 N ATOM 0 H HIS A 78 11.576 -2.207 5.374 1.00 0.00 H new ATOM 0 HA HIS A 78 10.034 -1.220 7.705 1.00 0.00 H new ATOM 0 HB2 HIS A 78 11.197 0.170 5.305 1.00 0.00 H new ATOM 0 HB3 HIS A 78 9.659 0.736 5.925 1.00 0.00 H new ATOM 0 HD2 HIS A 78 13.394 0.458 7.148 1.00 0.00 H new ATOM 0 HE1 HIS A 78 11.321 3.158 9.680 1.00 0.00 H new ATOM 0 HE2 HIS A 78 13.596 2.164 9.109 1.00 0.00 H new ATOM 1120 N SER A 79 8.108 -2.397 6.634 1.00 0.00 N ATOM 1121 CA SER A 79 6.868 -2.908 6.064 1.00 0.00 C ATOM 1122 C SER A 79 5.810 -1.810 5.993 1.00 0.00 C ATOM 1123 O SER A 79 4.640 -2.077 5.718 1.00 0.00 O ATOM 1124 CB SER A 79 6.345 -4.082 6.894 1.00 0.00 C ATOM 1125 OG SER A 79 5.610 -4.988 6.090 1.00 0.00 O ATOM 0 H SER A 79 8.252 -2.638 7.615 1.00 0.00 H new ATOM 0 HA SER A 79 7.078 -3.253 5.052 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.181 -4.602 7.362 1.00 0.00 H new ATOM 0 HB3 SER A 79 5.712 -3.709 7.699 1.00 0.00 H new ATOM 0 HG SER A 79 4.651 -4.819 6.200 1.00 0.00 H new ATOM 1131 N SER A 80 6.231 -0.575 6.243 1.00 0.00 N ATOM 1132 CA SER A 80 5.320 0.564 6.211 1.00 0.00 C ATOM 1133 C SER A 80 6.047 1.829 5.764 1.00 0.00 C ATOM 1134 O SER A 80 7.276 1.894 5.791 1.00 0.00 O ATOM 1135 CB SER A 80 4.695 0.782 7.590 1.00 0.00 C ATOM 1136 OG SER A 80 5.689 0.826 8.600 1.00 0.00 O ATOM 0 H SER A 80 7.197 -0.337 6.470 1.00 0.00 H new ATOM 0 HA SER A 80 4.530 0.346 5.492 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.128 1.713 7.593 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.990 -0.021 7.804 1.00 0.00 H new ATOM 0 HG SER A 80 5.264 0.968 9.471 1.00 0.00 H new ATOM 1142 N TRP A 81 5.279 2.831 5.353 1.00 0.00 N ATOM 1143 CA TRP A 81 5.848 4.094 4.899 1.00 0.00 C ATOM 1144 C TRP A 81 4.929 5.261 5.243 1.00 0.00 C ATOM 1145 O TRP A 81 3.710 5.104 5.306 1.00 0.00 O ATOM 1146 CB TRP A 81 6.097 4.053 3.391 1.00 0.00 C ATOM 1147 CG TRP A 81 6.915 5.205 2.892 1.00 0.00 C ATOM 1148 CD1 TRP A 81 6.464 6.290 2.195 1.00 0.00 C ATOM 1149 CD2 TRP A 81 8.327 5.386 3.049 1.00 0.00 C ATOM 1150 NE1 TRP A 81 7.509 7.134 1.910 1.00 0.00 N ATOM 1151 CE2 TRP A 81 8.663 6.603 2.424 1.00 0.00 C ATOM 1152 CE3 TRP A 81 9.339 4.641 3.659 1.00 0.00 C ATOM 1153 CZ2 TRP A 81 9.968 7.087 2.392 1.00 0.00 C ATOM 1154 CZ3 TRP A 81 10.633 5.122 3.626 1.00 0.00 C ATOM 1155 CH2 TRP A 81 10.939 6.337 2.997 1.00 0.00 C ATOM 0 H TRP A 81 4.260 2.793 5.325 1.00 0.00 H new ATOM 0 HA TRP A 81 6.798 4.240 5.413 1.00 0.00 H new ATOM 0 HB2 TRP A 81 6.603 3.121 3.139 1.00 0.00 H new ATOM 0 HB3 TRP A 81 5.139 4.046 2.872 1.00 0.00 H new ATOM 0 HD1 TRP A 81 5.436 6.459 1.910 1.00 0.00 H new ATOM 0 HE1 TRP A 81 7.438 8.014 1.399 1.00 0.00 H new ATOM 0 HE3 TRP A 81 9.113 3.705 4.148 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 10.205 8.022 1.906 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 11.423 4.552 4.093 1.00 0.00 H new ATOM 0 HH2 TRP A 81 11.961 6.687 2.990 1.00 0.00 H new ATOM 1166 N ASP A 82 5.521 6.429 5.465 1.00 0.00 N ATOM 1167 CA ASP A 82 4.754 7.623 5.802 1.00 0.00 C ATOM 1168 C ASP A 82 4.921 8.696 4.731 1.00 0.00 C ATOM 1169 O ASP A 82 5.929 9.404 4.697 1.00 0.00 O ATOM 1170 CB ASP A 82 5.191 8.170 7.162 1.00 0.00 C ATOM 1171 CG ASP A 82 5.080 7.135 8.264 1.00 0.00 C ATOM 1172 OD1 ASP A 82 5.346 5.945 7.991 1.00 0.00 O ATOM 1173 OD2 ASP A 82 4.729 7.515 9.400 1.00 0.00 O ATOM 0 H ASP A 82 6.529 6.575 5.418 1.00 0.00 H new ATOM 0 HA ASP A 82 3.701 7.346 5.852 1.00 0.00 H new ATOM 0 HB2 ASP A 82 6.222 8.518 7.096 1.00 0.00 H new ATOM 0 HB3 ASP A 82 4.578 9.035 7.417 1.00 0.00 H new ATOM 1178 N LEU A 83 3.927 8.812 3.856 1.00 0.00 N ATOM 1179 CA LEU A 83 3.964 9.798 2.782 1.00 0.00 C ATOM 1180 C LEU A 83 3.873 11.215 3.340 1.00 0.00 C ATOM 1181 O LEU A 83 3.244 11.447 4.373 1.00 0.00 O ATOM 1182 CB LEU A 83 2.821 9.552 1.797 1.00 0.00 C ATOM 1183 CG LEU A 83 2.743 8.147 1.196 1.00 0.00 C ATOM 1184 CD1 LEU A 83 1.332 7.851 0.714 1.00 0.00 C ATOM 1185 CD2 LEU A 83 3.741 7.998 0.057 1.00 0.00 C ATOM 0 H LEU A 83 3.086 8.235 3.870 1.00 0.00 H new ATOM 0 HA LEU A 83 4.915 9.693 2.259 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.879 9.761 2.305 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.910 10.270 0.982 1.00 0.00 H new ATOM 0 HG LEU A 83 2.998 7.425 1.972 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.295 6.848 0.290 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.640 7.915 1.553 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.048 8.577 -0.047 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.672 6.993 -0.358 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.517 8.728 -0.721 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.750 8.166 0.433 1.00 0.00 H new ATOM 1197 N VAL A 84 4.504 12.159 2.650 1.00 0.00 N ATOM 1198 CA VAL A 84 4.492 13.554 3.075 1.00 0.00 C ATOM 1199 C VAL A 84 4.352 14.491 1.880 1.00 0.00 C ATOM 1200 O VAL A 84 5.115 14.407 0.919 1.00 0.00 O ATOM 1201 CB VAL A 84 5.772 13.916 3.850 1.00 0.00 C ATOM 1202 CG1 VAL A 84 5.948 12.998 5.050 1.00 0.00 C ATOM 1203 CG2 VAL A 84 6.985 13.850 2.935 1.00 0.00 C ATOM 0 H VAL A 84 5.030 11.984 1.794 1.00 0.00 H new ATOM 0 HA VAL A 84 3.632 13.677 3.733 1.00 0.00 H new ATOM 0 HB VAL A 84 5.677 14.938 4.216 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.858 13.269 5.585 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.091 13.101 5.716 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.021 11.965 4.710 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.881 14.109 3.499 1.00 0.00 H new ATOM 0 HG22 VAL A 84 7.086 12.840 2.537 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.859 14.554 2.112 1.00 0.00 H new ATOM 1213 N GLY A 85 3.370 15.386 1.949 1.00 0.00 N ATOM 1214 CA GLY A 85 3.148 16.327 0.867 1.00 0.00 C ATOM 1215 C GLY A 85 1.895 16.013 0.074 1.00 0.00 C ATOM 1216 O GLY A 85 1.943 15.875 -1.149 1.00 0.00 O ATOM 0 H GLY A 85 2.725 15.476 2.734 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.073 17.335 1.276 1.00 0.00 H new ATOM 0 HA3 GLY A 85 4.009 16.317 0.199 1.00 0.00 H new ATOM 1220 N LEU A 86 0.769 15.897 0.770 1.00 0.00 N ATOM 1221 CA LEU A 86 -0.503 15.596 0.123 1.00 0.00 C ATOM 1222 C LEU A 86 -1.568 16.615 0.515 1.00 0.00 C ATOM 1223 O LEU A 86 -1.484 17.239 1.572 1.00 0.00 O ATOM 1224 CB LEU A 86 -0.967 14.187 0.498 1.00 0.00 C ATOM 1225 CG LEU A 86 0.121 13.114 0.552 1.00 0.00 C ATOM 1226 CD1 LEU A 86 -0.347 11.919 1.367 1.00 0.00 C ATOM 1227 CD2 LEU A 86 0.514 12.683 -0.854 1.00 0.00 C ATOM 0 H LEU A 86 0.711 16.007 1.782 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.355 15.649 -0.956 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.452 14.233 1.473 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.724 13.872 -0.220 1.00 0.00 H new ATOM 0 HG LEU A 86 0.999 13.538 1.040 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.441 11.166 1.394 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.578 12.239 2.383 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.240 11.494 0.909 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.289 11.919 -0.797 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.358 12.278 -1.367 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.892 13.543 -1.406 1.00 0.00 H new ATOM 1239 N GLU A 87 -2.570 16.776 -0.343 1.00 0.00 N ATOM 1240 CA GLU A 87 -3.652 17.719 -0.085 1.00 0.00 C ATOM 1241 C GLU A 87 -4.395 17.357 1.198 1.00 0.00 C ATOM 1242 O GLU A 87 -4.198 16.279 1.760 1.00 0.00 O ATOM 1243 CB GLU A 87 -4.629 17.743 -1.263 1.00 0.00 C ATOM 1244 CG GLU A 87 -5.386 19.053 -1.399 1.00 0.00 C ATOM 1245 CD GLU A 87 -6.132 19.162 -2.715 1.00 0.00 C ATOM 1246 OE1 GLU A 87 -5.650 18.599 -3.719 1.00 0.00 O ATOM 1247 OE2 GLU A 87 -7.199 19.811 -2.739 1.00 0.00 O ATOM 0 H GLU A 87 -2.655 16.266 -1.222 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.215 18.710 0.036 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.079 17.554 -2.185 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.345 16.930 -1.147 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.094 19.146 -0.576 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -4.686 19.884 -1.313 1.00 0.00 H new ATOM 1254 N LYS A 88 -5.249 18.266 1.656 1.00 0.00 N ATOM 1255 CA LYS A 88 -6.022 18.044 2.872 1.00 0.00 C ATOM 1256 C LYS A 88 -7.469 17.692 2.541 1.00 0.00 C ATOM 1257 O LYS A 88 -8.068 18.276 1.638 1.00 0.00 O ATOM 1258 CB LYS A 88 -5.980 19.289 3.762 1.00 0.00 C ATOM 1259 CG LYS A 88 -4.592 19.888 3.905 1.00 0.00 C ATOM 1260 CD LYS A 88 -4.357 21.000 2.897 1.00 0.00 C ATOM 1261 CE LYS A 88 -2.926 21.512 2.954 1.00 0.00 C ATOM 1262 NZ LYS A 88 -2.704 22.409 4.122 1.00 0.00 N ATOM 0 H LYS A 88 -5.423 19.163 1.203 1.00 0.00 H new ATOM 0 HA LYS A 88 -5.576 17.206 3.408 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -6.651 20.043 3.350 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -6.359 19.031 4.751 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -4.466 20.279 4.915 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.843 19.108 3.769 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -4.574 20.634 1.893 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -5.046 21.821 3.093 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -2.240 20.667 3.010 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -2.696 22.050 2.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -1.717 22.737 4.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -3.341 23.229 4.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.899 21.889 5.001 1.00 0.00 H new ATOM 1276 N TRP A 89 -8.023 16.736 3.276 1.00 0.00 N ATOM 1277 CA TRP A 89 -9.401 16.307 3.061 1.00 0.00 C ATOM 1278 C TRP A 89 -9.615 15.873 1.615 1.00 0.00 C ATOM 1279 O TRP A 89 -10.585 16.276 0.972 1.00 0.00 O ATOM 1280 CB TRP A 89 -10.369 17.436 3.416 1.00 0.00 C ATOM 1281 CG TRP A 89 -11.696 16.947 3.913 1.00 0.00 C ATOM 1282 CD1 TRP A 89 -11.913 16.035 4.906 1.00 0.00 C ATOM 1283 CD2 TRP A 89 -12.988 17.341 3.438 1.00 0.00 C ATOM 1284 NE1 TRP A 89 -13.262 15.839 5.078 1.00 0.00 N ATOM 1285 CE2 TRP A 89 -13.943 16.629 4.189 1.00 0.00 C ATOM 1286 CE3 TRP A 89 -13.430 18.228 2.453 1.00 0.00 C ATOM 1287 CZ2 TRP A 89 -15.312 16.777 3.984 1.00 0.00 C ATOM 1288 CZ3 TRP A 89 -14.789 18.373 2.249 1.00 0.00 C ATOM 1289 CH2 TRP A 89 -15.717 17.652 3.012 1.00 0.00 C ATOM 0 H TRP A 89 -7.540 16.242 4.027 1.00 0.00 H new ATOM 0 HA TRP A 89 -9.596 15.453 3.710 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -9.914 18.068 4.178 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -10.526 18.060 2.536 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -11.138 15.540 5.473 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -13.688 15.208 5.757 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -12.722 18.790 1.862 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -16.029 16.222 4.571 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -15.142 19.054 1.488 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -16.773 17.789 2.830 1.00 0.00 H new ATOM 1300 N THR A 90 -8.705 15.048 1.108 1.00 0.00 N ATOM 1301 CA THR A 90 -8.795 14.560 -0.263 1.00 0.00 C ATOM 1302 C THR A 90 -8.326 13.112 -0.362 1.00 0.00 C ATOM 1303 O THR A 90 -7.330 12.730 0.250 1.00 0.00 O ATOM 1304 CB THR A 90 -7.958 15.425 -1.223 1.00 0.00 C ATOM 1305 OG1 THR A 90 -8.429 16.777 -1.200 1.00 0.00 O ATOM 1306 CG2 THR A 90 -8.029 14.882 -2.642 1.00 0.00 C ATOM 0 H THR A 90 -7.897 14.703 1.626 1.00 0.00 H new ATOM 0 HA THR A 90 -9.844 14.621 -0.552 1.00 0.00 H new ATOM 0 HB THR A 90 -6.920 15.396 -0.892 1.00 0.00 H new ATOM 0 HG1 THR A 90 -8.257 17.168 -0.318 1.00 0.00 H new ATOM 0 HG21 THR A 90 -7.430 15.509 -3.302 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.643 13.863 -2.661 1.00 0.00 H new ATOM 0 HG23 THR A 90 -9.065 14.884 -2.981 1.00 0.00 H new ATOM 1314 N GLU A 91 -9.052 12.312 -1.138 1.00 0.00 N ATOM 1315 CA GLU A 91 -8.709 10.906 -1.317 1.00 0.00 C ATOM 1316 C GLU A 91 -7.440 10.758 -2.150 1.00 0.00 C ATOM 1317 O GLU A 91 -7.210 11.516 -3.093 1.00 0.00 O ATOM 1318 CB GLU A 91 -9.863 10.159 -1.987 1.00 0.00 C ATOM 1319 CG GLU A 91 -9.950 8.694 -1.593 1.00 0.00 C ATOM 1320 CD GLU A 91 -11.276 8.065 -1.975 1.00 0.00 C ATOM 1321 OE1 GLU A 91 -11.507 7.857 -3.185 1.00 0.00 O ATOM 1322 OE2 GLU A 91 -12.083 7.780 -1.065 1.00 0.00 O ATOM 0 H GLU A 91 -9.880 12.613 -1.652 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.529 10.473 -0.333 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.801 10.652 -1.731 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.751 10.230 -3.069 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -9.140 8.144 -2.072 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.805 8.602 -0.517 1.00 0.00 H new ATOM 1329 N TYR A 92 -6.618 9.776 -1.795 1.00 0.00 N ATOM 1330 CA TYR A 92 -5.370 9.529 -2.508 1.00 0.00 C ATOM 1331 C TYR A 92 -5.144 8.033 -2.708 1.00 0.00 C ATOM 1332 O TYR A 92 -5.281 7.243 -1.774 1.00 0.00 O ATOM 1333 CB TYR A 92 -4.193 10.136 -1.743 1.00 0.00 C ATOM 1334 CG TYR A 92 -3.952 11.595 -2.061 1.00 0.00 C ATOM 1335 CD1 TYR A 92 -4.636 12.596 -1.384 1.00 0.00 C ATOM 1336 CD2 TYR A 92 -3.040 11.971 -3.040 1.00 0.00 C ATOM 1337 CE1 TYR A 92 -4.420 13.930 -1.672 1.00 0.00 C ATOM 1338 CE2 TYR A 92 -2.816 13.302 -3.333 1.00 0.00 C ATOM 1339 CZ TYR A 92 -3.508 14.278 -2.647 1.00 0.00 C ATOM 1340 OH TYR A 92 -3.289 15.605 -2.938 1.00 0.00 O ATOM 0 H TYR A 92 -6.793 9.139 -1.018 1.00 0.00 H new ATOM 0 HA TYR A 92 -5.441 10.002 -3.488 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -4.373 10.031 -0.673 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -3.291 9.569 -1.972 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -5.349 12.327 -0.619 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -2.497 11.210 -3.581 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -4.962 14.696 -1.137 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -2.102 13.577 -4.096 1.00 0.00 H new ATOM 0 HH TYR A 92 -2.616 15.678 -3.647 1.00 0.00 H new ATOM 1350 N ARG A 93 -4.795 7.653 -3.932 1.00 0.00 N ATOM 1351 CA ARG A 93 -4.550 6.253 -4.256 1.00 0.00 C ATOM 1352 C ARG A 93 -3.093 5.881 -3.994 1.00 0.00 C ATOM 1353 O ARG A 93 -2.184 6.385 -4.654 1.00 0.00 O ATOM 1354 CB ARG A 93 -4.902 5.977 -5.719 1.00 0.00 C ATOM 1355 CG ARG A 93 -6.362 5.616 -5.936 1.00 0.00 C ATOM 1356 CD ARG A 93 -6.584 4.114 -5.849 1.00 0.00 C ATOM 1357 NE ARG A 93 -7.963 3.784 -5.498 1.00 0.00 N ATOM 1358 CZ ARG A 93 -8.987 3.923 -6.332 1.00 0.00 C ATOM 1359 NH1 ARG A 93 -8.789 4.383 -7.560 1.00 0.00 N ATOM 1360 NH2 ARG A 93 -10.213 3.601 -5.939 1.00 0.00 N ATOM 0 H ARG A 93 -4.675 8.295 -4.716 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.185 5.641 -3.615 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -4.662 6.858 -6.314 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -4.277 5.164 -6.087 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -6.977 6.119 -5.190 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -6.686 5.977 -6.912 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -6.333 3.655 -6.805 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -5.909 3.690 -5.105 1.00 0.00 H new ATOM 0 HE ARG A 93 -8.150 3.427 -4.561 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -7.848 4.631 -7.866 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -9.578 4.489 -8.198 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -10.369 3.246 -4.996 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -10.999 3.708 -6.580 1.00 0.00 H new ATOM 1374 N VAL A 94 -2.879 4.996 -3.026 1.00 0.00 N ATOM 1375 CA VAL A 94 -1.533 4.556 -2.676 1.00 0.00 C ATOM 1376 C VAL A 94 -1.287 3.124 -3.136 1.00 0.00 C ATOM 1377 O VAL A 94 -2.113 2.239 -2.913 1.00 0.00 O ATOM 1378 CB VAL A 94 -1.290 4.645 -1.158 1.00 0.00 C ATOM 1379 CG1 VAL A 94 0.023 3.975 -0.786 1.00 0.00 C ATOM 1380 CG2 VAL A 94 -1.306 6.096 -0.700 1.00 0.00 C ATOM 0 H VAL A 94 -3.620 4.569 -2.470 1.00 0.00 H new ATOM 0 HA VAL A 94 -0.839 5.223 -3.187 1.00 0.00 H new ATOM 0 HB VAL A 94 -2.096 4.118 -0.648 1.00 0.00 H new ATOM 0 HG11 VAL A 94 0.177 4.048 0.291 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -0.009 2.925 -1.077 1.00 0.00 H new ATOM 0 HG13 VAL A 94 0.844 4.470 -1.304 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -1.133 6.140 0.375 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.522 6.649 -1.217 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.275 6.539 -0.930 1.00 0.00 H new ATOM 1390 N TRP A 95 -0.145 2.903 -3.778 1.00 0.00 N ATOM 1391 CA TRP A 95 0.211 1.577 -4.269 1.00 0.00 C ATOM 1392 C TRP A 95 1.562 1.136 -3.716 1.00 0.00 C ATOM 1393 O TRP A 95 2.573 1.811 -3.909 1.00 0.00 O ATOM 1394 CB TRP A 95 0.245 1.569 -5.798 1.00 0.00 C ATOM 1395 CG TRP A 95 -1.096 1.807 -6.424 1.00 0.00 C ATOM 1396 CD1 TRP A 95 -2.088 0.887 -6.609 1.00 0.00 C ATOM 1397 CD2 TRP A 95 -1.590 3.044 -6.948 1.00 0.00 C ATOM 1398 NE1 TRP A 95 -3.170 1.478 -7.216 1.00 0.00 N ATOM 1399 CE2 TRP A 95 -2.890 2.801 -7.434 1.00 0.00 C ATOM 1400 CE3 TRP A 95 -1.062 4.334 -7.052 1.00 0.00 C ATOM 1401 CZ2 TRP A 95 -3.665 3.801 -8.016 1.00 0.00 C ATOM 1402 CZ3 TRP A 95 -1.833 5.325 -7.630 1.00 0.00 C ATOM 1403 CH2 TRP A 95 -3.123 5.054 -8.105 1.00 0.00 C ATOM 0 H TRP A 95 0.550 3.625 -3.970 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.548 0.874 -3.926 1.00 0.00 H new ATOM 0 HB2 TRP A 95 0.940 2.335 -6.143 1.00 0.00 H new ATOM 0 HB3 TRP A 95 0.633 0.610 -6.141 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -2.031 -0.152 -6.321 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -4.040 1.008 -7.464 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.069 4.553 -6.687 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -4.659 3.595 -8.384 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -1.434 6.325 -7.717 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -3.701 5.850 -8.550 1.00 0.00 H new ATOM 1414 N VAL A 96 1.572 -0.001 -3.028 1.00 0.00 N ATOM 1415 CA VAL A 96 2.799 -0.532 -2.448 1.00 0.00 C ATOM 1416 C VAL A 96 3.052 -1.962 -2.912 1.00 0.00 C ATOM 1417 O VAL A 96 2.153 -2.802 -2.886 1.00 0.00 O ATOM 1418 CB VAL A 96 2.751 -0.505 -0.908 1.00 0.00 C ATOM 1419 CG1 VAL A 96 1.429 -1.066 -0.406 1.00 0.00 C ATOM 1420 CG2 VAL A 96 3.924 -1.278 -0.325 1.00 0.00 C ATOM 0 H VAL A 96 0.744 -0.572 -2.859 1.00 0.00 H new ATOM 0 HA VAL A 96 3.613 0.108 -2.790 1.00 0.00 H new ATOM 0 HB VAL A 96 2.828 0.531 -0.577 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.413 -1.039 0.684 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.607 -0.465 -0.796 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.319 -2.096 -0.745 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.874 -1.248 0.763 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.881 -2.314 -0.662 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.859 -0.827 -0.658 1.00 0.00 H new ATOM 1430 N ARG A 97 4.283 -2.232 -3.335 1.00 0.00 N ATOM 1431 CA ARG A 97 4.654 -3.561 -3.806 1.00 0.00 C ATOM 1432 C ARG A 97 5.987 -3.998 -3.205 1.00 0.00 C ATOM 1433 O ARG A 97 6.664 -3.217 -2.537 1.00 0.00 O ATOM 1434 CB ARG A 97 4.742 -3.578 -5.333 1.00 0.00 C ATOM 1435 CG ARG A 97 5.687 -2.532 -5.901 1.00 0.00 C ATOM 1436 CD ARG A 97 5.243 -2.070 -7.280 1.00 0.00 C ATOM 1437 NE ARG A 97 6.263 -1.261 -7.941 1.00 0.00 N ATOM 1438 CZ ARG A 97 6.082 -0.664 -9.114 1.00 0.00 C ATOM 1439 NH1 ARG A 97 4.925 -0.784 -9.751 1.00 0.00 N ATOM 1440 NH2 ARG A 97 7.059 0.055 -9.652 1.00 0.00 N ATOM 0 H ARG A 97 5.040 -1.548 -3.361 1.00 0.00 H new ATOM 0 HA ARG A 97 3.883 -4.261 -3.485 1.00 0.00 H new ATOM 0 HB2 ARG A 97 5.069 -4.566 -5.659 1.00 0.00 H new ATOM 0 HB3 ARG A 97 3.746 -3.419 -5.748 1.00 0.00 H new ATOM 0 HG2 ARG A 97 5.732 -1.677 -5.227 1.00 0.00 H new ATOM 0 HG3 ARG A 97 6.694 -2.944 -5.961 1.00 0.00 H new ATOM 0 HD2 ARG A 97 5.014 -2.939 -7.897 1.00 0.00 H new ATOM 0 HD3 ARG A 97 4.324 -1.491 -7.190 1.00 0.00 H new ATOM 0 HE ARG A 97 7.164 -1.148 -7.477 1.00 0.00 H new ATOM 0 HH11 ARG A 97 4.172 -1.336 -9.340 1.00 0.00 H new ATOM 0 HH12 ARG A 97 4.789 -0.325 -10.651 1.00 0.00 H new ATOM 0 HH21 ARG A 97 7.950 0.150 -9.165 1.00 0.00 H new ATOM 0 HH22 ARG A 97 6.919 0.513 -10.553 1.00 0.00 H new ATOM 1454 N ALA A 98 6.357 -5.251 -3.446 1.00 0.00 N ATOM 1455 CA ALA A 98 7.608 -5.792 -2.930 1.00 0.00 C ATOM 1456 C ALA A 98 8.560 -6.152 -4.065 1.00 0.00 C ATOM 1457 O ALA A 98 8.178 -6.835 -5.016 1.00 0.00 O ATOM 1458 CB ALA A 98 7.338 -7.009 -2.058 1.00 0.00 C ATOM 0 H ALA A 98 5.807 -5.911 -3.996 1.00 0.00 H new ATOM 0 HA ALA A 98 8.084 -5.023 -2.322 1.00 0.00 H new ATOM 0 HB1 ALA A 98 8.282 -7.402 -1.680 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.702 -6.722 -1.220 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.836 -7.776 -2.648 1.00 0.00 H new ATOM 1464 N HIS A 99 9.802 -5.689 -3.960 1.00 0.00 N ATOM 1465 CA HIS A 99 10.809 -5.963 -4.979 1.00 0.00 C ATOM 1466 C HIS A 99 11.841 -6.963 -4.467 1.00 0.00 C ATOM 1467 O HIS A 99 12.378 -6.811 -3.369 1.00 0.00 O ATOM 1468 CB HIS A 99 11.502 -4.668 -5.403 1.00 0.00 C ATOM 1469 CG HIS A 99 10.619 -3.744 -6.183 1.00 0.00 C ATOM 1470 ND1 HIS A 99 9.473 -4.162 -6.826 1.00 0.00 N ATOM 1471 CD2 HIS A 99 10.719 -2.415 -6.421 1.00 0.00 C ATOM 1472 CE1 HIS A 99 8.907 -3.130 -7.427 1.00 0.00 C ATOM 1473 NE2 HIS A 99 9.643 -2.058 -7.196 1.00 0.00 N ATOM 0 H HIS A 99 10.135 -5.123 -3.180 1.00 0.00 H new ATOM 0 HA HIS A 99 10.307 -6.397 -5.844 1.00 0.00 H new ATOM 0 HB2 HIS A 99 11.861 -4.150 -4.514 1.00 0.00 H new ATOM 0 HB3 HIS A 99 12.378 -4.914 -6.004 1.00 0.00 H new ATOM 0 HD2 HIS A 99 11.500 -1.758 -6.067 1.00 0.00 H new ATOM 0 HE1 HIS A 99 7.997 -3.158 -8.008 1.00 0.00 H new ATOM 0 HE2 HIS A 99 9.444 -1.118 -7.538 1.00 0.00 H new ATOM 1482 N THR A 100 12.115 -7.987 -5.270 1.00 0.00 N ATOM 1483 CA THR A 100 13.082 -9.013 -4.898 1.00 0.00 C ATOM 1484 C THR A 100 14.312 -8.962 -5.797 1.00 0.00 C ATOM 1485 O THR A 100 14.281 -8.363 -6.873 1.00 0.00 O ATOM 1486 CB THR A 100 12.463 -10.421 -4.973 1.00 0.00 C ATOM 1487 OG1 THR A 100 11.521 -10.486 -6.050 1.00 0.00 O ATOM 1488 CG2 THR A 100 11.772 -10.779 -3.666 1.00 0.00 C ATOM 0 H THR A 100 11.681 -8.128 -6.182 1.00 0.00 H new ATOM 0 HA THR A 100 13.379 -8.809 -3.869 1.00 0.00 H new ATOM 0 HB THR A 100 13.266 -11.137 -5.149 1.00 0.00 H new ATOM 0 HG1 THR A 100 11.133 -11.385 -6.092 1.00 0.00 H new ATOM 0 HG21 THR A 100 11.343 -11.778 -3.743 1.00 0.00 H new ATOM 0 HG22 THR A 100 12.498 -10.758 -2.853 1.00 0.00 H new ATOM 0 HG23 THR A 100 10.980 -10.058 -3.464 1.00 0.00 H new ATOM 1496 N ASP A 101 15.392 -9.593 -5.351 1.00 0.00 N ATOM 1497 CA ASP A 101 16.632 -9.621 -6.117 1.00 0.00 C ATOM 1498 C ASP A 101 16.388 -10.147 -7.527 1.00 0.00 C ATOM 1499 O ASP A 101 17.133 -9.834 -8.456 1.00 0.00 O ATOM 1500 CB ASP A 101 17.674 -10.488 -5.408 1.00 0.00 C ATOM 1501 CG ASP A 101 18.975 -10.579 -6.183 1.00 0.00 C ATOM 1502 OD1 ASP A 101 19.727 -9.582 -6.198 1.00 0.00 O ATOM 1503 OD2 ASP A 101 19.240 -11.647 -6.772 1.00 0.00 O ATOM 0 H ASP A 101 15.434 -10.092 -4.463 1.00 0.00 H new ATOM 0 HA ASP A 101 17.009 -8.601 -6.190 1.00 0.00 H new ATOM 0 HB2 ASP A 101 17.872 -10.077 -4.418 1.00 0.00 H new ATOM 0 HB3 ASP A 101 17.270 -11.490 -5.262 1.00 0.00 H new ATOM 1508 N VAL A 102 15.340 -10.951 -7.681 1.00 0.00 N ATOM 1509 CA VAL A 102 14.998 -11.522 -8.978 1.00 0.00 C ATOM 1510 C VAL A 102 14.423 -10.461 -9.910 1.00 0.00 C ATOM 1511 O VAL A 102 14.601 -10.526 -11.126 1.00 0.00 O ATOM 1512 CB VAL A 102 13.981 -12.669 -8.835 1.00 0.00 C ATOM 1513 CG1 VAL A 102 14.602 -13.845 -8.097 1.00 0.00 C ATOM 1514 CG2 VAL A 102 12.727 -12.184 -8.123 1.00 0.00 C ATOM 0 H VAL A 102 14.713 -11.221 -6.923 1.00 0.00 H new ATOM 0 HA VAL A 102 15.921 -11.916 -9.405 1.00 0.00 H new ATOM 0 HB VAL A 102 13.697 -13.006 -9.832 1.00 0.00 H new ATOM 0 HG11 VAL A 102 13.868 -14.646 -8.006 1.00 0.00 H new ATOM 0 HG12 VAL A 102 15.467 -14.207 -8.652 1.00 0.00 H new ATOM 0 HG13 VAL A 102 14.916 -13.526 -7.103 1.00 0.00 H new ATOM 0 HG21 VAL A 102 12.019 -13.008 -8.031 1.00 0.00 H new ATOM 0 HG22 VAL A 102 12.990 -11.819 -7.130 1.00 0.00 H new ATOM 0 HG23 VAL A 102 12.272 -11.377 -8.697 1.00 0.00 H new ATOM 1524 N GLY A 103 13.733 -9.483 -9.331 1.00 0.00 N ATOM 1525 CA GLY A 103 13.143 -8.421 -10.125 1.00 0.00 C ATOM 1526 C GLY A 103 11.935 -7.799 -9.454 1.00 0.00 C ATOM 1527 O GLY A 103 11.482 -8.249 -8.402 1.00 0.00 O ATOM 0 H GLY A 103 13.572 -9.407 -8.327 1.00 0.00 H new ATOM 0 HA2 GLY A 103 13.891 -7.649 -10.307 1.00 0.00 H new ATOM 0 HA3 GLY A 103 12.851 -8.818 -11.097 1.00 0.00 H new ATOM 1531 N PRO A 104 11.394 -6.736 -10.069 1.00 0.00 N ATOM 1532 CA PRO A 104 10.224 -6.027 -9.541 1.00 0.00 C ATOM 1533 C PRO A 104 8.949 -6.857 -9.641 1.00 0.00 C ATOM 1534 O PRO A 104 8.924 -7.898 -10.296 1.00 0.00 O ATOM 1535 CB PRO A 104 10.127 -4.788 -10.435 1.00 0.00 C ATOM 1536 CG PRO A 104 10.787 -5.188 -11.709 1.00 0.00 C ATOM 1537 CD PRO A 104 11.882 -6.145 -11.326 1.00 0.00 C ATOM 0 HA PRO A 104 10.331 -5.797 -8.481 1.00 0.00 H new ATOM 0 HB2 PRO A 104 9.089 -4.499 -10.600 1.00 0.00 H new ATOM 0 HB3 PRO A 104 10.627 -3.932 -9.982 1.00 0.00 H new ATOM 0 HG2 PRO A 104 10.075 -5.660 -12.386 1.00 0.00 H new ATOM 0 HG3 PRO A 104 11.192 -4.319 -12.228 1.00 0.00 H new ATOM 0 HD2 PRO A 104 12.039 -6.904 -12.093 1.00 0.00 H new ATOM 0 HD3 PRO A 104 12.833 -5.632 -11.186 1.00 0.00 H new ATOM 1545 N GLY A 105 7.890 -6.389 -8.987 1.00 0.00 N ATOM 1546 CA GLY A 105 6.626 -7.101 -9.016 1.00 0.00 C ATOM 1547 C GLY A 105 5.453 -6.188 -9.311 1.00 0.00 C ATOM 1548 O GLY A 105 5.601 -4.972 -9.434 1.00 0.00 O ATOM 0 H GLY A 105 7.885 -5.530 -8.438 1.00 0.00 H new ATOM 0 HA2 GLY A 105 6.671 -7.885 -9.772 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.467 -7.593 -8.056 1.00 0.00 H new ATOM 1552 N PRO A 106 4.254 -6.778 -9.432 1.00 0.00 N ATOM 1553 CA PRO A 106 3.028 -6.027 -9.718 1.00 0.00 C ATOM 1554 C PRO A 106 2.592 -5.160 -8.542 1.00 0.00 C ATOM 1555 O PRO A 106 3.220 -5.173 -7.484 1.00 0.00 O ATOM 1556 CB PRO A 106 1.995 -7.125 -9.985 1.00 0.00 C ATOM 1557 CG PRO A 106 2.504 -8.313 -9.245 1.00 0.00 C ATOM 1558 CD PRO A 106 4.004 -8.223 -9.299 1.00 0.00 C ATOM 0 HA PRO A 106 3.158 -5.334 -10.549 1.00 0.00 H new ATOM 0 HB2 PRO A 106 1.006 -6.832 -9.632 1.00 0.00 H new ATOM 0 HB3 PRO A 106 1.904 -7.332 -11.051 1.00 0.00 H new ATOM 0 HG2 PRO A 106 2.150 -8.312 -8.214 1.00 0.00 H new ATOM 0 HG3 PRO A 106 2.152 -9.238 -9.702 1.00 0.00 H new ATOM 0 HD2 PRO A 106 4.464 -8.629 -8.398 1.00 0.00 H new ATOM 0 HD3 PRO A 106 4.410 -8.781 -10.143 1.00 0.00 H new ATOM 1566 N GLU A 107 1.512 -4.409 -8.734 1.00 0.00 N ATOM 1567 CA GLU A 107 0.993 -3.536 -7.688 1.00 0.00 C ATOM 1568 C GLU A 107 0.085 -4.308 -6.736 1.00 0.00 C ATOM 1569 O GLU A 107 -0.328 -5.430 -7.028 1.00 0.00 O ATOM 1570 CB GLU A 107 0.226 -2.364 -8.305 1.00 0.00 C ATOM 1571 CG GLU A 107 1.119 -1.350 -8.999 1.00 0.00 C ATOM 1572 CD GLU A 107 0.378 -0.539 -10.044 1.00 0.00 C ATOM 1573 OE1 GLU A 107 -0.514 -1.105 -10.711 1.00 0.00 O ATOM 1574 OE2 GLU A 107 0.689 0.661 -10.196 1.00 0.00 O ATOM 0 H GLU A 107 0.980 -4.388 -9.604 1.00 0.00 H new ATOM 0 HA GLU A 107 1.839 -3.148 -7.121 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -0.496 -2.751 -9.024 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -0.342 -1.860 -7.523 1.00 0.00 H new ATOM 0 HG2 GLU A 107 1.543 -0.676 -8.255 1.00 0.00 H new ATOM 0 HG3 GLU A 107 1.953 -1.869 -9.471 1.00 0.00 H new ATOM 1581 N SER A 108 -0.221 -3.698 -5.595 1.00 0.00 N ATOM 1582 CA SER A 108 -1.077 -4.329 -4.597 1.00 0.00 C ATOM 1583 C SER A 108 -2.420 -3.613 -4.502 1.00 0.00 C ATOM 1584 O SER A 108 -2.603 -2.535 -5.068 1.00 0.00 O ATOM 1585 CB SER A 108 -0.388 -4.329 -3.231 1.00 0.00 C ATOM 1586 OG SER A 108 -0.307 -3.017 -2.700 1.00 0.00 O ATOM 0 H SER A 108 0.111 -2.768 -5.339 1.00 0.00 H new ATOM 0 HA SER A 108 -1.256 -5.359 -4.906 1.00 0.00 H new ATOM 0 HB2 SER A 108 -0.939 -4.970 -2.543 1.00 0.00 H new ATOM 0 HB3 SER A 108 0.613 -4.749 -3.325 1.00 0.00 H new ATOM 0 HG SER A 108 0.520 -2.590 -3.008 1.00 0.00 H new ATOM 1592 N SER A 109 -3.358 -4.220 -3.781 1.00 0.00 N ATOM 1593 CA SER A 109 -4.687 -3.643 -3.614 1.00 0.00 C ATOM 1594 C SER A 109 -4.597 -2.217 -3.078 1.00 0.00 C ATOM 1595 O SER A 109 -4.164 -1.977 -1.951 1.00 0.00 O ATOM 1596 CB SER A 109 -5.524 -4.504 -2.667 1.00 0.00 C ATOM 1597 OG SER A 109 -6.898 -4.166 -2.750 1.00 0.00 O ATOM 0 H SER A 109 -3.222 -5.111 -3.303 1.00 0.00 H new ATOM 0 HA SER A 109 -5.170 -3.615 -4.591 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.390 -5.557 -2.914 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.174 -4.369 -1.643 1.00 0.00 H new ATOM 0 HG SER A 109 -7.412 -4.732 -2.136 1.00 0.00 H new ATOM 1603 N PRO A 110 -5.015 -1.248 -3.905 1.00 0.00 N ATOM 1604 CA PRO A 110 -4.992 0.171 -3.537 1.00 0.00 C ATOM 1605 C PRO A 110 -6.021 0.508 -2.464 1.00 0.00 C ATOM 1606 O PRO A 110 -7.131 -0.024 -2.464 1.00 0.00 O ATOM 1607 CB PRO A 110 -5.335 0.883 -4.848 1.00 0.00 C ATOM 1608 CG PRO A 110 -6.110 -0.119 -5.632 1.00 0.00 C ATOM 1609 CD PRO A 110 -5.543 -1.462 -5.263 1.00 0.00 C ATOM 0 HA PRO A 110 -4.032 0.467 -3.114 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -5.921 1.784 -4.667 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.434 1.190 -5.379 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -7.172 -0.065 -5.393 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -6.014 0.064 -6.702 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.307 -2.239 -5.279 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -4.759 -1.771 -5.955 1.00 0.00 H new ATOM 1617 N VAL A 111 -5.646 1.396 -1.548 1.00 0.00 N ATOM 1618 CA VAL A 111 -6.537 1.805 -0.469 1.00 0.00 C ATOM 1619 C VAL A 111 -6.858 3.293 -0.556 1.00 0.00 C ATOM 1620 O VAL A 111 -5.976 4.116 -0.801 1.00 0.00 O ATOM 1621 CB VAL A 111 -5.923 1.503 0.911 1.00 0.00 C ATOM 1622 CG1 VAL A 111 -6.872 1.928 2.022 1.00 0.00 C ATOM 1623 CG2 VAL A 111 -5.579 0.026 1.029 1.00 0.00 C ATOM 0 H VAL A 111 -4.731 1.846 -1.532 1.00 0.00 H new ATOM 0 HA VAL A 111 -7.456 1.231 -0.583 1.00 0.00 H new ATOM 0 HB VAL A 111 -5.002 2.077 1.013 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -6.422 1.707 2.990 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -7.064 2.998 1.947 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -7.811 1.383 1.926 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -5.146 -0.170 2.010 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -6.484 -0.569 0.906 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -4.860 -0.243 0.255 1.00 0.00 H new ATOM 1633 N LEU A 112 -8.127 3.631 -0.353 1.00 0.00 N ATOM 1634 CA LEU A 112 -8.565 5.021 -0.408 1.00 0.00 C ATOM 1635 C LEU A 112 -8.586 5.641 0.986 1.00 0.00 C ATOM 1636 O LEU A 112 -9.293 5.169 1.877 1.00 0.00 O ATOM 1637 CB LEU A 112 -9.955 5.114 -1.039 1.00 0.00 C ATOM 1638 CG LEU A 112 -10.091 4.539 -2.450 1.00 0.00 C ATOM 1639 CD1 LEU A 112 -11.547 4.542 -2.890 1.00 0.00 C ATOM 1640 CD2 LEU A 112 -9.235 5.327 -3.431 1.00 0.00 C ATOM 0 H LEU A 112 -8.870 2.962 -0.149 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.855 5.575 -1.022 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -10.663 4.600 -0.389 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -10.251 6.163 -1.065 1.00 0.00 H new ATOM 0 HG LEU A 112 -9.739 3.508 -2.437 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -11.624 4.129 -3.896 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -12.136 3.935 -2.203 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -11.926 5.564 -2.887 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -9.344 4.904 -4.430 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -9.557 6.368 -3.440 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.190 5.274 -3.126 1.00 0.00 H new ATOM 1652 N VAL A 113 -7.806 6.703 1.168 1.00 0.00 N ATOM 1653 CA VAL A 113 -7.737 7.390 2.452 1.00 0.00 C ATOM 1654 C VAL A 113 -8.063 8.871 2.301 1.00 0.00 C ATOM 1655 O VAL A 113 -7.557 9.540 1.399 1.00 0.00 O ATOM 1656 CB VAL A 113 -6.343 7.245 3.091 1.00 0.00 C ATOM 1657 CG1 VAL A 113 -6.085 5.799 3.487 1.00 0.00 C ATOM 1658 CG2 VAL A 113 -5.267 7.746 2.141 1.00 0.00 C ATOM 0 H VAL A 113 -7.213 7.106 0.442 1.00 0.00 H new ATOM 0 HA VAL A 113 -8.477 6.923 3.102 1.00 0.00 H new ATOM 0 HB VAL A 113 -6.311 7.855 3.994 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -5.096 5.716 3.937 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -6.839 5.479 4.206 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -6.136 5.165 2.602 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.289 7.636 2.609 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.296 7.165 1.219 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.444 8.797 1.913 1.00 0.00 H new ATOM 1668 N ARG A 114 -8.912 9.378 3.189 1.00 0.00 N ATOM 1669 CA ARG A 114 -9.306 10.781 3.155 1.00 0.00 C ATOM 1670 C ARG A 114 -8.604 11.571 4.255 1.00 0.00 C ATOM 1671 O ARG A 114 -8.985 11.503 5.424 1.00 0.00 O ATOM 1672 CB ARG A 114 -10.823 10.910 3.308 1.00 0.00 C ATOM 1673 CG ARG A 114 -11.315 12.348 3.303 1.00 0.00 C ATOM 1674 CD ARG A 114 -12.774 12.439 3.722 1.00 0.00 C ATOM 1675 NE ARG A 114 -13.681 12.270 2.590 1.00 0.00 N ATOM 1676 CZ ARG A 114 -14.075 11.086 2.134 1.00 0.00 C ATOM 1677 NH1 ARG A 114 -13.644 9.973 2.712 1.00 0.00 N ATOM 1678 NH2 ARG A 114 -14.902 11.014 1.099 1.00 0.00 N ATOM 0 H ARG A 114 -9.340 8.838 3.941 1.00 0.00 H new ATOM 0 HA ARG A 114 -9.008 11.192 2.191 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -11.309 10.366 2.498 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -11.128 10.434 4.240 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -10.703 12.945 3.979 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -11.195 12.771 2.306 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -12.984 11.676 4.472 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -12.957 13.406 4.191 1.00 0.00 H new ATOM 0 HE ARG A 114 -14.031 13.107 2.124 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -13.009 10.025 3.508 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -13.948 9.065 2.360 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -15.236 11.868 0.653 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -15.204 10.104 0.750 1.00 0.00 H new ATOM 1692 N THR A 115 -7.574 12.320 3.873 1.00 0.00 N ATOM 1693 CA THR A 115 -6.817 13.121 4.826 1.00 0.00 C ATOM 1694 C THR A 115 -7.745 13.934 5.722 1.00 0.00 C ATOM 1695 O THR A 115 -8.935 14.071 5.437 1.00 0.00 O ATOM 1696 CB THR A 115 -5.846 14.079 4.110 1.00 0.00 C ATOM 1697 OG1 THR A 115 -6.395 14.480 2.849 1.00 0.00 O ATOM 1698 CG2 THR A 115 -4.494 13.416 3.892 1.00 0.00 C ATOM 0 H THR A 115 -7.245 12.388 2.910 1.00 0.00 H new ATOM 0 HA THR A 115 -6.244 12.424 5.438 1.00 0.00 H new ATOM 0 HB THR A 115 -5.705 14.957 4.741 1.00 0.00 H new ATOM 0 HG1 THR A 115 -5.686 14.491 2.172 1.00 0.00 H new ATOM 0 HG21 THR A 115 -3.825 14.112 3.385 1.00 0.00 H new ATOM 0 HG22 THR A 115 -4.066 13.138 4.855 1.00 0.00 H new ATOM 0 HG23 THR A 115 -4.621 12.523 3.280 1.00 0.00 H new ATOM 1706 N ASP A 116 -7.194 14.471 6.805 1.00 0.00 N ATOM 1707 CA ASP A 116 -7.974 15.272 7.741 1.00 0.00 C ATOM 1708 C ASP A 116 -8.590 16.480 7.042 1.00 0.00 C ATOM 1709 O ASP A 116 -8.084 16.942 6.020 1.00 0.00 O ATOM 1710 CB ASP A 116 -7.094 15.735 8.904 1.00 0.00 C ATOM 1711 CG ASP A 116 -7.070 14.737 10.045 1.00 0.00 C ATOM 1712 OD1 ASP A 116 -8.118 14.110 10.308 1.00 0.00 O ATOM 1713 OD2 ASP A 116 -6.003 14.582 10.674 1.00 0.00 O ATOM 0 H ASP A 116 -6.211 14.366 7.056 1.00 0.00 H new ATOM 0 HA ASP A 116 -8.780 14.650 8.129 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -6.078 15.896 8.545 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -7.458 16.694 9.272 1.00 0.00 H new ATOM 1718 N GLU A 117 -9.687 16.984 7.599 1.00 0.00 N ATOM 1719 CA GLU A 117 -10.373 18.137 7.027 1.00 0.00 C ATOM 1720 C GLU A 117 -9.427 19.328 6.904 1.00 0.00 C ATOM 1721 O GLU A 117 -8.330 19.323 7.463 1.00 0.00 O ATOM 1722 CB GLU A 117 -11.581 18.517 7.885 1.00 0.00 C ATOM 1723 CG GLU A 117 -12.867 17.826 7.466 1.00 0.00 C ATOM 1724 CD GLU A 117 -13.818 17.608 8.627 1.00 0.00 C ATOM 1725 OE1 GLU A 117 -13.479 16.816 9.532 1.00 0.00 O ATOM 1726 OE2 GLU A 117 -14.901 18.229 8.632 1.00 0.00 O ATOM 0 H GLU A 117 -10.119 16.612 8.445 1.00 0.00 H new ATOM 0 HA GLU A 117 -10.717 17.864 6.029 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -11.369 18.271 8.925 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -11.726 19.596 7.836 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -13.364 18.424 6.702 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -12.627 16.864 7.012 1.00 0.00 H new