USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=22 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 124:sc= 0.0897 USER MOD Set 1.2: A 69 HIS : no HD1:sc= 0.105 X(o=0.19,f=0) USER MOD Set 2.1: A 55 SER OG : rot -10:sc= 0.795! USER MOD Set 2.2: A 99 HIS : no HD1:sc= -3.13! C(o=-2.3!,f=-2.8!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc=-0.00107 K(o=-0.0011,f=-1.1) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 159:sc= -0.047 (180deg=-0.568) USER MOD Single : A 27 CYS SG : rot 170:sc= -2.74 USER MOD Single : A 29 SER OG : rot 43:sc= 0.42 USER MOD Single : A 30 MET CE :methyl 144:sc= -1.76 (180deg=-4.5!) USER MOD Single : A 32 SER OG : rot 180:sc= -0.452 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= -1.25 K(o=-1.2,f=-2.3!) USER MOD Single : A 52 THR OG1 : rot -51:sc= -0.063 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 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc= -0.113 X(o=-0.11,f=-0.28) USER MOD Single : A 79 SER OG : rot 120:sc= 0.204 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 64:sc= 0.0656 USER MOD Single : A 92 TYR OH : rot 180:sc= 0.216 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.294 USER MOD Single : A 108 SER OG : rot -104:sc= 1.03 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 172:sc= 1.17 USER MOD ----------------------------------------------------------------- ATOM 214 N PRO A 18 6.878 -12.039 -6.284 1.00 0.00 N ATOM 215 CA PRO A 18 5.725 -12.337 -5.429 1.00 0.00 C ATOM 216 C PRO A 18 4.405 -11.924 -6.071 1.00 0.00 C ATOM 217 O PRO A 18 4.273 -10.812 -6.581 1.00 0.00 O ATOM 218 CB PRO A 18 5.992 -11.505 -4.172 1.00 0.00 C ATOM 219 CG PRO A 18 6.857 -10.385 -4.636 1.00 0.00 C ATOM 220 CD PRO A 18 7.704 -10.947 -5.744 1.00 0.00 C ATOM 0 HA PRO A 18 5.625 -13.405 -5.237 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.063 -11.134 -3.738 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.489 -12.097 -3.404 1.00 0.00 H new ATOM 0 HG2 PRO A 18 6.255 -9.548 -4.991 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.478 -10.009 -3.823 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.923 -10.196 -6.503 1.00 0.00 H new ATOM 0 HD3 PRO A 18 8.661 -11.313 -5.372 1.00 0.00 H new ATOM 228 N SER A 19 3.431 -12.828 -6.042 1.00 0.00 N ATOM 229 CA SER A 19 2.121 -12.558 -6.624 1.00 0.00 C ATOM 230 C SER A 19 1.143 -12.071 -5.560 1.00 0.00 C ATOM 231 O SER A 19 0.530 -11.013 -5.701 1.00 0.00 O ATOM 232 CB SER A 19 1.572 -13.816 -7.301 1.00 0.00 C ATOM 233 OG SER A 19 0.498 -13.499 -8.170 1.00 0.00 O ATOM 0 H SER A 19 3.524 -13.753 -5.622 1.00 0.00 H new ATOM 0 HA SER A 19 2.237 -11.773 -7.371 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.367 -14.307 -7.863 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.234 -14.523 -6.543 1.00 0.00 H new ATOM 0 HG SER A 19 0.166 -14.319 -8.592 1.00 0.00 H new ATOM 239 N ALA A 20 1.002 -12.851 -4.493 1.00 0.00 N ATOM 240 CA ALA A 20 0.101 -12.499 -3.403 1.00 0.00 C ATOM 241 C ALA A 20 0.620 -11.292 -2.629 1.00 0.00 C ATOM 242 O ALA A 20 0.035 -10.209 -2.656 1.00 0.00 O ATOM 243 CB ALA A 20 -0.087 -13.686 -2.469 1.00 0.00 C ATOM 0 H ALA A 20 1.501 -13.731 -4.361 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.864 -12.233 -3.834 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.762 -13.409 -1.660 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.511 -14.523 -3.025 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.877 -13.978 -2.053 1.00 0.00 H new ATOM 249 N PRO A 21 1.743 -11.480 -1.921 1.00 0.00 N ATOM 250 CA PRO A 21 2.365 -10.418 -1.126 1.00 0.00 C ATOM 251 C PRO A 21 2.980 -9.327 -1.996 1.00 0.00 C ATOM 252 O PRO A 21 3.377 -9.560 -3.138 1.00 0.00 O ATOM 253 CB PRO A 21 3.455 -11.153 -0.341 1.00 0.00 C ATOM 254 CG PRO A 21 3.779 -12.347 -1.171 1.00 0.00 C ATOM 255 CD PRO A 21 2.493 -12.745 -1.843 1.00 0.00 C ATOM 0 HA PRO A 21 1.640 -9.904 -0.495 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.332 -10.522 -0.196 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.103 -11.443 0.649 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.548 -12.114 -1.907 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.164 -13.159 -0.554 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.671 -13.168 -2.832 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.954 -13.497 -1.266 1.00 0.00 H new ATOM 263 N PRO A 22 3.062 -8.106 -1.447 1.00 0.00 N ATOM 264 CA PRO A 22 2.592 -7.816 -0.089 1.00 0.00 C ATOM 265 C PRO A 22 1.072 -7.872 0.023 1.00 0.00 C ATOM 266 O PRO A 22 0.359 -7.539 -0.923 1.00 0.00 O ATOM 267 CB PRO A 22 3.095 -6.393 0.164 1.00 0.00 C ATOM 268 CG PRO A 22 3.224 -5.790 -1.192 1.00 0.00 C ATOM 269 CD PRO A 22 3.619 -6.914 -2.109 1.00 0.00 C ATOM 0 HA PRO A 22 2.957 -8.546 0.633 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.396 -5.830 0.783 1.00 0.00 H new ATOM 0 HB3 PRO A 22 4.051 -6.398 0.687 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.284 -5.339 -1.510 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.974 -5.000 -1.198 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.207 -6.780 -3.109 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.701 -6.983 -2.217 1.00 0.00 H new ATOM 277 N GLN A 23 0.584 -8.294 1.185 1.00 0.00 N ATOM 278 CA GLN A 23 -0.852 -8.393 1.419 1.00 0.00 C ATOM 279 C GLN A 23 -1.246 -7.666 2.701 1.00 0.00 C ATOM 280 O GLN A 23 -0.388 -7.208 3.456 1.00 0.00 O ATOM 281 CB GLN A 23 -1.277 -9.860 1.499 1.00 0.00 C ATOM 282 CG GLN A 23 -0.184 -10.783 2.012 1.00 0.00 C ATOM 283 CD GLN A 23 -0.678 -12.196 2.253 1.00 0.00 C ATOM 284 OE1 GLN A 23 -1.865 -12.417 2.497 1.00 0.00 O ATOM 285 NE2 GLN A 23 0.231 -13.161 2.187 1.00 0.00 N ATOM 0 H GLN A 23 1.161 -8.573 1.978 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.365 -7.919 0.582 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -2.146 -9.943 2.151 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.588 -10.194 0.509 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.634 -10.806 1.292 1.00 0.00 H new ATOM 0 HG3 GLN A 23 0.220 -10.380 2.941 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.204 -12.932 1.982 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.043 -14.131 2.341 1.00 0.00 H new ATOM 294 N LYS A 24 -2.549 -7.565 2.941 1.00 0.00 N ATOM 295 CA LYS A 24 -3.058 -6.895 4.132 1.00 0.00 C ATOM 296 C LYS A 24 -2.715 -5.409 4.109 1.00 0.00 C ATOM 297 O LYS A 24 -2.623 -4.766 5.155 1.00 0.00 O ATOM 298 CB LYS A 24 -2.481 -7.543 5.392 1.00 0.00 C ATOM 299 CG LYS A 24 -2.622 -9.055 5.418 1.00 0.00 C ATOM 300 CD LYS A 24 -3.913 -9.484 6.094 1.00 0.00 C ATOM 301 CE LYS A 24 -3.751 -10.813 6.814 1.00 0.00 C ATOM 302 NZ LYS A 24 -4.091 -11.966 5.934 1.00 0.00 N ATOM 0 H LYS A 24 -3.272 -7.939 2.326 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.143 -6.999 4.141 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.425 -7.284 5.473 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.980 -7.125 6.266 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.598 -9.441 4.399 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.773 -9.491 5.944 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.224 -8.719 6.806 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.705 -9.567 5.349 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.724 -10.914 7.164 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.391 -10.828 7.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.968 -12.854 6.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.079 -11.884 5.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.464 -11.967 5.105 1.00 0.00 H new ATOM 316 N VAL A 25 -2.528 -4.868 2.909 1.00 0.00 N ATOM 317 CA VAL A 25 -2.198 -3.456 2.750 1.00 0.00 C ATOM 318 C VAL A 25 -3.278 -2.568 3.356 1.00 0.00 C ATOM 319 O VAL A 25 -4.396 -2.497 2.845 1.00 0.00 O ATOM 320 CB VAL A 25 -2.016 -3.086 1.266 1.00 0.00 C ATOM 321 CG1 VAL A 25 -1.599 -1.630 1.126 1.00 0.00 C ATOM 322 CG2 VAL A 25 -0.998 -4.006 0.609 1.00 0.00 C ATOM 0 H VAL A 25 -2.599 -5.386 2.033 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.258 -3.289 3.276 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.971 -3.216 0.757 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.475 -1.387 0.071 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.367 -0.988 1.559 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.656 -1.470 1.648 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.882 -3.730 -0.439 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.039 -3.910 1.118 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.343 -5.038 0.677 1.00 0.00 H new ATOM 332 N MET A 26 -2.937 -1.891 4.447 1.00 0.00 N ATOM 333 CA MET A 26 -3.878 -1.004 5.122 1.00 0.00 C ATOM 334 C MET A 26 -3.315 0.410 5.224 1.00 0.00 C ATOM 335 O MET A 26 -2.332 0.647 5.927 1.00 0.00 O ATOM 336 CB MET A 26 -4.205 -1.539 6.518 1.00 0.00 C ATOM 337 CG MET A 26 -5.015 -2.825 6.502 1.00 0.00 C ATOM 338 SD MET A 26 -6.761 -2.541 6.149 1.00 0.00 S ATOM 339 CE MET A 26 -6.985 -3.573 4.702 1.00 0.00 C ATOM 0 H MET A 26 -2.016 -1.939 4.883 1.00 0.00 H new ATOM 0 HA MET A 26 -4.794 -0.969 4.531 1.00 0.00 H new ATOM 0 HB2 MET A 26 -3.275 -1.712 7.059 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.757 -0.778 7.069 1.00 0.00 H new ATOM 0 HG2 MET A 26 -4.602 -3.501 5.753 1.00 0.00 H new ATOM 0 HG3 MET A 26 -4.920 -3.322 7.467 1.00 0.00 H new ATOM 0 HE1 MET A 26 -8.043 -3.807 4.582 1.00 0.00 H new ATOM 0 HE2 MET A 26 -6.628 -3.044 3.819 1.00 0.00 H new ATOM 0 HE3 MET A 26 -6.421 -4.498 4.824 1.00 0.00 H new ATOM 349 N CYS A 27 -3.944 1.344 4.521 1.00 0.00 N ATOM 350 CA CYS A 27 -3.505 2.735 4.532 1.00 0.00 C ATOM 351 C CYS A 27 -4.391 3.578 5.444 1.00 0.00 C ATOM 352 O CYS A 27 -5.618 3.504 5.376 1.00 0.00 O ATOM 353 CB CYS A 27 -3.520 3.308 3.114 1.00 0.00 C ATOM 354 SG CYS A 27 -2.589 2.329 1.912 1.00 0.00 S ATOM 0 H CYS A 27 -4.760 1.164 3.936 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.486 2.765 4.917 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -4.554 3.389 2.778 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -3.112 4.318 3.138 1.00 0.00 H new ATOM 0 HG CYS A 27 -2.833 2.767 0.713 1.00 0.00 H new ATOM 360 N VAL A 28 -3.761 4.377 6.298 1.00 0.00 N ATOM 361 CA VAL A 28 -4.492 5.234 7.225 1.00 0.00 C ATOM 362 C VAL A 28 -3.962 6.663 7.187 1.00 0.00 C ATOM 363 O VAL A 28 -2.763 6.896 7.340 1.00 0.00 O ATOM 364 CB VAL A 28 -4.403 4.704 8.668 1.00 0.00 C ATOM 365 CG1 VAL A 28 -4.997 3.307 8.761 1.00 0.00 C ATOM 366 CG2 VAL A 28 -2.961 4.712 9.151 1.00 0.00 C ATOM 0 H VAL A 28 -2.746 4.449 6.368 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.534 5.228 6.907 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.982 5.363 9.315 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.925 2.949 9.788 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.044 3.336 8.459 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.448 2.634 8.103 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.917 4.334 10.173 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.357 4.077 8.503 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.574 5.731 9.124 1.00 0.00 H new ATOM 376 N SER A 29 -4.864 7.617 6.981 1.00 0.00 N ATOM 377 CA SER A 29 -4.487 9.025 6.919 1.00 0.00 C ATOM 378 C SER A 29 -3.910 9.492 8.252 1.00 0.00 C ATOM 379 O SER A 29 -4.637 9.663 9.230 1.00 0.00 O ATOM 380 CB SER A 29 -5.697 9.883 6.546 1.00 0.00 C ATOM 381 OG SER A 29 -6.791 9.623 7.408 1.00 0.00 O ATOM 0 H SER A 29 -5.861 7.441 6.854 1.00 0.00 H new ATOM 0 HA SER A 29 -3.721 9.137 6.152 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.429 10.938 6.601 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.986 9.681 5.515 1.00 0.00 H new ATOM 0 HG SER A 29 -6.471 9.556 8.332 1.00 0.00 H new ATOM 387 N MET A 30 -2.597 9.695 8.283 1.00 0.00 N ATOM 388 CA MET A 30 -1.921 10.144 9.495 1.00 0.00 C ATOM 389 C MET A 30 -2.448 11.504 9.939 1.00 0.00 C ATOM 390 O MET A 30 -2.766 11.705 11.111 1.00 0.00 O ATOM 391 CB MET A 30 -0.411 10.219 9.264 1.00 0.00 C ATOM 392 CG MET A 30 0.282 8.867 9.330 1.00 0.00 C ATOM 393 SD MET A 30 0.564 8.312 11.022 1.00 0.00 S ATOM 394 CE MET A 30 -0.996 7.508 11.378 1.00 0.00 C ATOM 0 H MET A 30 -1.980 9.556 7.483 1.00 0.00 H new ATOM 0 HA MET A 30 -2.125 9.420 10.284 1.00 0.00 H new ATOM 0 HB2 MET A 30 -0.223 10.667 8.288 1.00 0.00 H new ATOM 0 HB3 MET A 30 0.030 10.881 10.009 1.00 0.00 H new ATOM 0 HG2 MET A 30 -0.323 8.127 8.805 1.00 0.00 H new ATOM 0 HG3 MET A 30 1.237 8.927 8.808 1.00 0.00 H new ATOM 0 HE1 MET A 30 -0.820 6.634 12.005 1.00 0.00 H new ATOM 0 HE2 MET A 30 -1.653 8.203 11.901 1.00 0.00 H new ATOM 0 HE3 MET A 30 -1.466 7.197 10.445 1.00 0.00 H new ATOM 404 N GLY A 31 -2.537 12.437 8.995 1.00 0.00 N ATOM 405 CA GLY A 31 -3.025 13.767 9.310 1.00 0.00 C ATOM 406 C GLY A 31 -3.828 14.373 8.176 1.00 0.00 C ATOM 407 O GLY A 31 -4.890 13.865 7.818 1.00 0.00 O ATOM 0 H GLY A 31 -2.280 12.295 8.018 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.644 13.721 10.206 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.180 14.416 9.540 1.00 0.00 H new ATOM 411 N SER A 32 -3.320 15.464 7.611 1.00 0.00 N ATOM 412 CA SER A 32 -3.999 16.144 6.515 1.00 0.00 C ATOM 413 C SER A 32 -3.167 16.081 5.238 1.00 0.00 C ATOM 414 O SER A 32 -3.705 15.956 4.137 1.00 0.00 O ATOM 415 CB SER A 32 -4.277 17.602 6.885 1.00 0.00 C ATOM 416 OG SER A 32 -3.139 18.413 6.652 1.00 0.00 O ATOM 0 H SER A 32 -2.440 15.896 7.895 1.00 0.00 H new ATOM 0 HA SER A 32 -4.946 15.635 6.336 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.119 17.975 6.301 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.564 17.666 7.935 1.00 0.00 H new ATOM 0 HG SER A 32 -3.343 19.340 6.895 1.00 0.00 H new ATOM 422 N THR A 33 -1.849 16.170 5.392 1.00 0.00 N ATOM 423 CA THR A 33 -0.941 16.125 4.253 1.00 0.00 C ATOM 424 C THR A 33 0.042 14.967 4.379 1.00 0.00 C ATOM 425 O THR A 33 1.065 14.929 3.695 1.00 0.00 O ATOM 426 CB THR A 33 -0.152 17.440 4.112 1.00 0.00 C ATOM 427 OG1 THR A 33 0.650 17.658 5.278 1.00 0.00 O ATOM 428 CG2 THR A 33 -1.094 18.617 3.911 1.00 0.00 C ATOM 0 H THR A 33 -1.387 16.274 6.295 1.00 0.00 H new ATOM 0 HA THR A 33 -1.555 15.981 3.364 1.00 0.00 H new ATOM 0 HB THR A 33 0.494 17.358 3.238 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.150 18.495 5.179 1.00 0.00 H new ATOM 0 HG21 THR A 33 -0.514 19.535 3.814 1.00 0.00 H new ATOM 0 HG22 THR A 33 -1.682 18.462 3.006 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.762 18.699 4.768 1.00 0.00 H new ATOM 436 N THR A 34 -0.275 14.021 5.258 1.00 0.00 N ATOM 437 CA THR A 34 0.581 12.861 5.475 1.00 0.00 C ATOM 438 C THR A 34 -0.241 11.581 5.568 1.00 0.00 C ATOM 439 O THR A 34 -1.346 11.579 6.112 1.00 0.00 O ATOM 440 CB THR A 34 1.421 13.013 6.757 1.00 0.00 C ATOM 441 OG1 THR A 34 2.320 14.120 6.625 1.00 0.00 O ATOM 442 CG2 THR A 34 2.209 11.744 7.042 1.00 0.00 C ATOM 0 H THR A 34 -1.119 14.036 5.831 1.00 0.00 H new ATOM 0 HA THR A 34 1.251 12.798 4.617 1.00 0.00 H new ATOM 0 HB THR A 34 0.742 13.194 7.590 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.849 14.211 7.445 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.794 11.876 7.952 1.00 0.00 H new ATOM 0 HG22 THR A 34 1.520 10.909 7.171 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.878 11.536 6.207 1.00 0.00 H new ATOM 450 N VAL A 35 0.305 10.492 5.036 1.00 0.00 N ATOM 451 CA VAL A 35 -0.378 9.204 5.061 1.00 0.00 C ATOM 452 C VAL A 35 0.562 8.092 5.513 1.00 0.00 C ATOM 453 O VAL A 35 1.749 8.098 5.186 1.00 0.00 O ATOM 454 CB VAL A 35 -0.952 8.845 3.678 1.00 0.00 C ATOM 455 CG1 VAL A 35 -1.566 7.454 3.698 1.00 0.00 C ATOM 456 CG2 VAL A 35 -1.975 9.882 3.240 1.00 0.00 C ATOM 0 H VAL A 35 1.218 10.476 4.582 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.198 9.295 5.773 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.136 8.845 2.955 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.966 7.219 2.712 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.802 6.723 3.964 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.370 7.422 4.433 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.370 9.612 2.261 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.790 9.917 3.963 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.499 10.861 3.182 1.00 0.00 H new ATOM 466 N ARG A 36 0.024 7.139 6.267 1.00 0.00 N ATOM 467 CA ARG A 36 0.815 6.021 6.765 1.00 0.00 C ATOM 468 C ARG A 36 0.272 4.695 6.240 1.00 0.00 C ATOM 469 O ARG A 36 -0.807 4.254 6.635 1.00 0.00 O ATOM 470 CB ARG A 36 0.820 6.013 8.295 1.00 0.00 C ATOM 471 CG ARG A 36 1.391 4.739 8.895 1.00 0.00 C ATOM 472 CD ARG A 36 1.268 4.733 10.411 1.00 0.00 C ATOM 473 NE ARG A 36 2.325 5.515 11.048 1.00 0.00 N ATOM 474 CZ ARG A 36 2.671 5.381 12.324 1.00 0.00 C ATOM 475 NH1 ARG A 36 2.049 4.499 13.093 1.00 0.00 N ATOM 476 NH2 ARG A 36 3.643 6.129 12.831 1.00 0.00 N ATOM 0 H ARG A 36 -0.957 7.119 6.546 1.00 0.00 H new ATOM 0 HA ARG A 36 1.837 6.143 6.406 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.399 6.864 8.653 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.200 6.148 8.654 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.868 3.876 8.483 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.439 4.641 8.614 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.296 5.135 10.698 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.308 3.706 10.774 1.00 0.00 H new ATOM 0 HE ARG A 36 2.825 6.201 10.482 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.303 3.921 12.706 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.316 4.398 14.072 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.125 6.807 12.241 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.908 6.026 13.811 1.00 0.00 H new ATOM 490 N VAL A 37 1.028 4.063 5.348 1.00 0.00 N ATOM 491 CA VAL A 37 0.624 2.788 4.769 1.00 0.00 C ATOM 492 C VAL A 37 1.511 1.652 5.266 1.00 0.00 C ATOM 493 O VAL A 37 2.738 1.746 5.224 1.00 0.00 O ATOM 494 CB VAL A 37 0.674 2.828 3.230 1.00 0.00 C ATOM 495 CG1 VAL A 37 1.991 3.422 2.754 1.00 0.00 C ATOM 496 CG2 VAL A 37 0.470 1.435 2.654 1.00 0.00 C ATOM 0 H VAL A 37 1.924 4.414 5.011 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.403 2.609 5.087 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.135 3.466 2.874 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.008 3.442 1.664 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.092 4.437 3.137 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.818 2.813 3.119 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.508 1.482 1.566 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.256 0.773 3.016 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.501 1.051 2.967 1.00 0.00 H new ATOM 506 N SER A 38 0.883 0.580 5.737 1.00 0.00 N ATOM 507 CA SER A 38 1.616 -0.574 6.245 1.00 0.00 C ATOM 508 C SER A 38 1.049 -1.871 5.678 1.00 0.00 C ATOM 509 O SER A 38 -0.127 -1.943 5.320 1.00 0.00 O ATOM 510 CB SER A 38 1.562 -0.605 7.774 1.00 0.00 C ATOM 511 OG SER A 38 0.236 -0.800 8.234 1.00 0.00 O ATOM 0 H SER A 38 -0.132 0.486 5.778 1.00 0.00 H new ATOM 0 HA SER A 38 2.654 -0.483 5.926 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.201 -1.405 8.147 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.955 0.330 8.174 1.00 0.00 H new ATOM 0 HG SER A 38 0.229 -0.818 9.214 1.00 0.00 H new ATOM 517 N TRP A 39 1.893 -2.894 5.600 1.00 0.00 N ATOM 518 CA TRP A 39 1.476 -4.190 5.077 1.00 0.00 C ATOM 519 C TRP A 39 1.936 -5.320 5.991 1.00 0.00 C ATOM 520 O TRP A 39 2.814 -5.131 6.834 1.00 0.00 O ATOM 521 CB TRP A 39 2.035 -4.398 3.668 1.00 0.00 C ATOM 522 CG TRP A 39 3.440 -3.900 3.507 1.00 0.00 C ATOM 523 CD1 TRP A 39 4.574 -4.657 3.438 1.00 0.00 C ATOM 524 CD2 TRP A 39 3.858 -2.535 3.398 1.00 0.00 C ATOM 525 NE1 TRP A 39 5.673 -3.844 3.292 1.00 0.00 N ATOM 526 CE2 TRP A 39 5.260 -2.538 3.264 1.00 0.00 C ATOM 527 CE3 TRP A 39 3.184 -1.311 3.398 1.00 0.00 C ATOM 528 CZ2 TRP A 39 5.998 -1.365 3.133 1.00 0.00 C ATOM 529 CZ3 TRP A 39 3.918 -0.147 3.269 1.00 0.00 C ATOM 530 CH2 TRP A 39 5.312 -0.180 3.136 1.00 0.00 C ATOM 0 H TRP A 39 2.869 -2.851 5.892 1.00 0.00 H new ATOM 0 HA TRP A 39 0.387 -4.203 5.034 1.00 0.00 H new ATOM 0 HB2 TRP A 39 2.004 -5.460 3.425 1.00 0.00 H new ATOM 0 HB3 TRP A 39 1.392 -3.888 2.951 1.00 0.00 H new ATOM 0 HD1 TRP A 39 4.603 -5.735 3.490 1.00 0.00 H new ATOM 0 HE1 TRP A 39 6.639 -4.162 3.217 1.00 0.00 H new ATOM 0 HE3 TRP A 39 2.109 -1.275 3.497 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 7.073 -1.389 3.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 3.408 0.805 3.271 1.00 0.00 H new ATOM 0 HH2 TRP A 39 5.856 0.747 3.034 1.00 0.00 H new ATOM 541 N VAL A 40 1.338 -6.495 5.821 1.00 0.00 N ATOM 542 CA VAL A 40 1.688 -7.655 6.630 1.00 0.00 C ATOM 543 C VAL A 40 3.072 -8.181 6.269 1.00 0.00 C ATOM 544 O VAL A 40 3.360 -8.502 5.116 1.00 0.00 O ATOM 545 CB VAL A 40 0.660 -8.789 6.459 1.00 0.00 C ATOM 546 CG1 VAL A 40 0.645 -9.285 5.021 1.00 0.00 C ATOM 547 CG2 VAL A 40 0.959 -9.929 7.422 1.00 0.00 C ATOM 0 H VAL A 40 0.608 -6.668 5.130 1.00 0.00 H new ATOM 0 HA VAL A 40 1.687 -7.327 7.669 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.330 -8.396 6.693 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.087 -10.086 4.920 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.379 -8.464 4.356 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.633 -9.661 4.756 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.223 -10.722 7.287 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.956 -10.322 7.222 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.913 -9.561 8.447 1.00 0.00 H new ATOM 656 N ASN A 48 8.515 -17.012 -1.911 1.00 0.00 N ATOM 657 CA ASN A 48 8.677 -17.212 -3.347 1.00 0.00 C ATOM 658 C ASN A 48 9.527 -16.103 -3.958 1.00 0.00 C ATOM 659 O ASN A 48 9.724 -16.054 -5.171 1.00 0.00 O ATOM 660 CB ASN A 48 7.310 -17.260 -4.034 1.00 0.00 C ATOM 661 CG ASN A 48 6.558 -15.948 -3.917 1.00 0.00 C ATOM 662 OD1 ASN A 48 6.988 -15.034 -3.213 1.00 0.00 O ATOM 663 ND2 ASN A 48 5.429 -15.850 -4.609 1.00 0.00 N ATOM 0 HA ASN A 48 9.187 -18.163 -3.501 1.00 0.00 H new ATOM 0 HB2 ASN A 48 7.444 -17.506 -5.087 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.713 -18.059 -3.594 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.880 -14.991 -4.570 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.111 -16.633 -5.180 1.00 0.00 H new ATOM 670 N GLY A 49 10.029 -15.213 -3.107 1.00 0.00 N ATOM 671 CA GLY A 49 10.853 -14.116 -3.582 1.00 0.00 C ATOM 672 C GLY A 49 11.514 -13.355 -2.449 1.00 0.00 C ATOM 673 O GLY A 49 10.864 -13.005 -1.464 1.00 0.00 O ATOM 0 H GLY A 49 9.880 -15.232 -2.098 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.621 -14.505 -4.251 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.239 -13.431 -4.166 1.00 0.00 H new ATOM 677 N VAL A 50 12.811 -13.100 -2.588 1.00 0.00 N ATOM 678 CA VAL A 50 13.561 -12.376 -1.568 1.00 0.00 C ATOM 679 C VAL A 50 13.317 -10.874 -1.669 1.00 0.00 C ATOM 680 O VAL A 50 13.808 -10.216 -2.587 1.00 0.00 O ATOM 681 CB VAL A 50 15.072 -12.649 -1.683 1.00 0.00 C ATOM 682 CG1 VAL A 50 15.550 -12.418 -3.108 1.00 0.00 C ATOM 683 CG2 VAL A 50 15.846 -11.779 -0.705 1.00 0.00 C ATOM 0 H VAL A 50 13.364 -13.384 -3.397 1.00 0.00 H new ATOM 0 HA VAL A 50 13.208 -12.734 -0.601 1.00 0.00 H new ATOM 0 HB VAL A 50 15.255 -13.693 -1.429 1.00 0.00 H new ATOM 0 HG11 VAL A 50 16.620 -12.616 -3.169 1.00 0.00 H new ATOM 0 HG12 VAL A 50 15.018 -13.088 -3.783 1.00 0.00 H new ATOM 0 HG13 VAL A 50 15.355 -11.384 -3.394 1.00 0.00 H new ATOM 0 HG21 VAL A 50 16.912 -11.985 -0.800 1.00 0.00 H new ATOM 0 HG22 VAL A 50 15.658 -10.728 -0.926 1.00 0.00 H new ATOM 0 HG23 VAL A 50 15.523 -11.999 0.312 1.00 0.00 H new ATOM 693 N ILE A 51 12.558 -10.339 -0.720 1.00 0.00 N ATOM 694 CA ILE A 51 12.251 -8.914 -0.701 1.00 0.00 C ATOM 695 C ILE A 51 13.524 -8.078 -0.616 1.00 0.00 C ATOM 696 O ILE A 51 14.211 -8.075 0.406 1.00 0.00 O ATOM 697 CB ILE A 51 11.332 -8.551 0.481 1.00 0.00 C ATOM 698 CG1 ILE A 51 10.138 -9.506 0.538 1.00 0.00 C ATOM 699 CG2 ILE A 51 10.860 -7.110 0.361 1.00 0.00 C ATOM 700 CD1 ILE A 51 9.346 -9.561 -0.750 1.00 0.00 C ATOM 0 H ILE A 51 12.144 -10.870 0.046 1.00 0.00 H new ATOM 0 HA ILE A 51 11.734 -8.691 -1.634 1.00 0.00 H new ATOM 0 HB ILE A 51 11.898 -8.651 1.407 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.495 -10.507 0.778 1.00 0.00 H new ATOM 0 HG13 ILE A 51 9.477 -9.200 1.349 1.00 0.00 H new ATOM 0 HG21 ILE A 51 10.212 -6.868 1.203 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.722 -6.443 0.364 1.00 0.00 H new ATOM 0 HG23 ILE A 51 10.307 -6.984 -0.570 1.00 0.00 H new ATOM 0 HD11 ILE A 51 8.515 -10.258 -0.637 1.00 0.00 H new ATOM 0 HD12 ILE A 51 8.959 -8.569 -0.982 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.993 -9.896 -1.561 1.00 0.00 H new ATOM 712 N THR A 52 13.833 -7.368 -1.697 1.00 0.00 N ATOM 713 CA THR A 52 15.022 -6.528 -1.744 1.00 0.00 C ATOM 714 C THR A 52 14.716 -5.114 -1.265 1.00 0.00 C ATOM 715 O THR A 52 15.563 -4.457 -0.660 1.00 0.00 O ATOM 716 CB THR A 52 15.605 -6.460 -3.169 1.00 0.00 C ATOM 717 OG1 THR A 52 14.737 -5.700 -4.017 1.00 0.00 O ATOM 718 CG2 THR A 52 15.792 -7.856 -3.744 1.00 0.00 C ATOM 0 H THR A 52 13.276 -7.359 -2.551 1.00 0.00 H new ATOM 0 HA THR A 52 15.757 -6.983 -1.079 1.00 0.00 H new ATOM 0 HB THR A 52 16.579 -5.973 -3.117 1.00 0.00 H new ATOM 0 HG1 THR A 52 13.822 -6.042 -3.939 1.00 0.00 H new ATOM 0 HG21 THR A 52 16.205 -7.783 -4.750 1.00 0.00 H new ATOM 0 HG22 THR A 52 16.476 -8.421 -3.111 1.00 0.00 H new ATOM 0 HG23 THR A 52 14.829 -8.366 -3.783 1.00 0.00 H new ATOM 726 N GLN A 53 13.500 -4.651 -1.538 1.00 0.00 N ATOM 727 CA GLN A 53 13.083 -3.314 -1.134 1.00 0.00 C ATOM 728 C GLN A 53 11.607 -3.087 -1.444 1.00 0.00 C ATOM 729 O GLN A 53 11.018 -3.797 -2.259 1.00 0.00 O ATOM 730 CB GLN A 53 13.934 -2.256 -1.840 1.00 0.00 C ATOM 731 CG GLN A 53 14.155 -2.540 -3.317 1.00 0.00 C ATOM 732 CD GLN A 53 15.106 -1.553 -3.964 1.00 0.00 C ATOM 733 OE1 GLN A 53 16.246 -1.891 -4.284 1.00 0.00 O ATOM 734 NE2 GLN A 53 14.642 -0.325 -4.162 1.00 0.00 N ATOM 0 H GLN A 53 12.787 -5.182 -2.037 1.00 0.00 H new ATOM 0 HA GLN A 53 13.227 -3.226 -0.057 1.00 0.00 H new ATOM 0 HB2 GLN A 53 13.452 -1.284 -1.733 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.902 -2.189 -1.343 1.00 0.00 H new ATOM 0 HG2 GLN A 53 14.550 -3.549 -3.434 1.00 0.00 H new ATOM 0 HG3 GLN A 53 13.197 -2.510 -3.836 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.690 -0.088 -3.881 1.00 0.00 H new ATOM 0 HE22 GLN A 53 15.237 0.381 -4.595 1.00 0.00 H new ATOM 743 N TYR A 54 11.017 -2.093 -0.790 1.00 0.00 N ATOM 744 CA TYR A 54 9.609 -1.774 -0.994 1.00 0.00 C ATOM 745 C TYR A 54 9.452 -0.448 -1.731 1.00 0.00 C ATOM 746 O TYR A 54 10.226 0.487 -1.523 1.00 0.00 O ATOM 747 CB TYR A 54 8.878 -1.714 0.349 1.00 0.00 C ATOM 748 CG TYR A 54 8.531 -3.073 0.911 1.00 0.00 C ATOM 749 CD1 TYR A 54 7.335 -3.699 0.580 1.00 0.00 C ATOM 750 CD2 TYR A 54 9.398 -3.733 1.774 1.00 0.00 C ATOM 751 CE1 TYR A 54 7.013 -4.941 1.092 1.00 0.00 C ATOM 752 CE2 TYR A 54 9.085 -4.975 2.289 1.00 0.00 C ATOM 753 CZ TYR A 54 7.891 -5.575 1.945 1.00 0.00 C ATOM 754 OH TYR A 54 7.575 -6.813 2.458 1.00 0.00 O ATOM 0 H TYR A 54 11.492 -1.494 -0.114 1.00 0.00 H new ATOM 0 HA TYR A 54 9.169 -2.562 -1.605 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.500 -1.181 1.068 1.00 0.00 H new ATOM 0 HB3 TYR A 54 7.962 -1.135 0.229 1.00 0.00 H new ATOM 0 HD1 TYR A 54 6.645 -3.206 -0.089 1.00 0.00 H new ATOM 0 HD2 TYR A 54 10.333 -3.266 2.046 1.00 0.00 H new ATOM 0 HE1 TYR A 54 6.079 -5.413 0.826 1.00 0.00 H new ATOM 0 HE2 TYR A 54 9.771 -5.474 2.957 1.00 0.00 H new ATOM 0 HH TYR A 54 8.301 -7.121 3.041 1.00 0.00 H new ATOM 764 N SER A 55 8.444 -0.373 -2.594 1.00 0.00 N ATOM 765 CA SER A 55 8.185 0.837 -3.366 1.00 0.00 C ATOM 766 C SER A 55 6.765 1.341 -3.126 1.00 0.00 C ATOM 767 O SER A 55 5.791 0.638 -3.394 1.00 0.00 O ATOM 768 CB SER A 55 8.400 0.572 -4.857 1.00 0.00 C ATOM 769 OG SER A 55 7.222 0.064 -5.459 1.00 0.00 O ATOM 0 H SER A 55 7.793 -1.137 -2.776 1.00 0.00 H new ATOM 0 HA SER A 55 8.885 1.605 -3.037 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.698 1.495 -5.355 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.216 -0.139 -4.989 1.00 0.00 H new ATOM 0 HG SER A 55 6.571 -0.163 -4.763 1.00 0.00 H new ATOM 775 N VAL A 56 6.656 2.565 -2.620 1.00 0.00 N ATOM 776 CA VAL A 56 5.357 3.166 -2.345 1.00 0.00 C ATOM 777 C VAL A 56 5.101 4.363 -3.254 1.00 0.00 C ATOM 778 O VAL A 56 5.962 5.226 -3.418 1.00 0.00 O ATOM 779 CB VAL A 56 5.246 3.617 -0.876 1.00 0.00 C ATOM 780 CG1 VAL A 56 3.853 4.154 -0.586 1.00 0.00 C ATOM 781 CG2 VAL A 56 5.591 2.469 0.061 1.00 0.00 C ATOM 0 H VAL A 56 7.452 3.160 -2.392 1.00 0.00 H new ATOM 0 HA VAL A 56 4.607 2.399 -2.539 1.00 0.00 H new ATOM 0 HB VAL A 56 5.961 4.422 -0.706 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.794 4.468 0.456 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.650 5.007 -1.234 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.116 3.373 -0.772 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.507 2.805 1.094 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.902 1.642 -0.108 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.611 2.137 -0.131 1.00 0.00 H new ATOM 791 N ALA A 57 3.910 4.408 -3.842 1.00 0.00 N ATOM 792 CA ALA A 57 3.539 5.501 -4.733 1.00 0.00 C ATOM 793 C ALA A 57 2.214 6.126 -4.312 1.00 0.00 C ATOM 794 O ALA A 57 1.441 5.524 -3.567 1.00 0.00 O ATOM 795 CB ALA A 57 3.459 5.006 -6.170 1.00 0.00 C ATOM 0 H ALA A 57 3.186 3.701 -3.718 1.00 0.00 H new ATOM 0 HA ALA A 57 4.310 6.269 -4.667 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.181 5.832 -6.824 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.429 4.613 -6.474 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.709 4.218 -6.242 1.00 0.00 H new ATOM 801 N TYR A 58 1.958 7.338 -4.793 1.00 0.00 N ATOM 802 CA TYR A 58 0.727 8.047 -4.463 1.00 0.00 C ATOM 803 C TYR A 58 0.292 8.947 -5.616 1.00 0.00 C ATOM 804 O TYR A 58 1.117 9.600 -6.253 1.00 0.00 O ATOM 805 CB TYR A 58 0.918 8.880 -3.195 1.00 0.00 C ATOM 806 CG TYR A 58 2.154 9.750 -3.222 1.00 0.00 C ATOM 807 CD1 TYR A 58 3.413 9.209 -2.992 1.00 0.00 C ATOM 808 CD2 TYR A 58 2.063 11.113 -3.475 1.00 0.00 C ATOM 809 CE1 TYR A 58 4.545 10.000 -3.015 1.00 0.00 C ATOM 810 CE2 TYR A 58 3.190 11.912 -3.501 1.00 0.00 C ATOM 811 CZ TYR A 58 4.429 11.351 -3.271 1.00 0.00 C ATOM 812 OH TYR A 58 5.553 12.143 -3.294 1.00 0.00 O ATOM 0 H TYR A 58 2.586 7.850 -5.412 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.054 7.307 -4.289 1.00 0.00 H new ATOM 0 HB2 TYR A 58 0.042 9.512 -3.051 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.973 8.211 -2.336 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.508 8.152 -2.792 1.00 0.00 H new ATOM 0 HD2 TYR A 58 1.094 11.556 -3.654 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.516 9.563 -2.834 1.00 0.00 H new ATOM 0 HE2 TYR A 58 3.101 12.970 -3.700 1.00 0.00 H new ATOM 0 HH TYR A 58 5.606 12.611 -4.153 1.00 0.00 H new ATOM 822 N GLU A 59 -1.011 8.975 -5.876 1.00 0.00 N ATOM 823 CA GLU A 59 -1.557 9.794 -6.952 1.00 0.00 C ATOM 824 C GLU A 59 -2.960 10.283 -6.605 1.00 0.00 C ATOM 825 O GLU A 59 -3.841 9.490 -6.273 1.00 0.00 O ATOM 826 CB GLU A 59 -1.590 9.001 -8.260 1.00 0.00 C ATOM 827 CG GLU A 59 -1.870 9.858 -9.484 1.00 0.00 C ATOM 828 CD GLU A 59 -2.523 9.075 -10.607 1.00 0.00 C ATOM 829 OE1 GLU A 59 -3.728 8.767 -10.492 1.00 0.00 O ATOM 830 OE2 GLU A 59 -1.829 8.771 -11.600 1.00 0.00 O ATOM 0 H GLU A 59 -1.708 8.441 -5.357 1.00 0.00 H new ATOM 0 HA GLU A 59 -0.909 10.662 -7.078 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.634 8.495 -8.392 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.354 8.227 -8.187 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.517 10.689 -9.201 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.935 10.289 -9.842 1.00 0.00 H new ATOM 837 N ALA A 60 -3.160 11.595 -6.684 1.00 0.00 N ATOM 838 CA ALA A 60 -4.455 12.190 -6.380 1.00 0.00 C ATOM 839 C ALA A 60 -5.482 11.849 -7.454 1.00 0.00 C ATOM 840 O ALA A 60 -5.447 12.396 -8.557 1.00 0.00 O ATOM 841 CB ALA A 60 -4.322 13.698 -6.234 1.00 0.00 C ATOM 0 H ALA A 60 -2.441 12.266 -6.956 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.805 11.774 -5.435 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.297 14.129 -6.007 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.628 13.925 -5.425 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.946 14.122 -7.165 1.00 0.00 H new ATOM 847 N VAL A 61 -6.396 10.940 -7.127 1.00 0.00 N ATOM 848 CA VAL A 61 -7.433 10.526 -8.064 1.00 0.00 C ATOM 849 C VAL A 61 -8.516 11.591 -8.190 1.00 0.00 C ATOM 850 O VAL A 61 -9.160 11.717 -9.232 1.00 0.00 O ATOM 851 CB VAL A 61 -8.082 9.198 -7.632 1.00 0.00 C ATOM 852 CG1 VAL A 61 -8.714 9.335 -6.256 1.00 0.00 C ATOM 853 CG2 VAL A 61 -9.111 8.750 -8.659 1.00 0.00 C ATOM 0 H VAL A 61 -6.439 10.476 -6.219 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.949 10.388 -9.031 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.305 8.436 -7.573 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -9.167 8.387 -5.968 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.948 9.607 -5.529 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -9.480 10.110 -6.283 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -9.560 7.810 -8.338 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -9.887 9.510 -8.752 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -8.624 8.609 -9.624 1.00 0.00 H new ATOM 863 N ASP A 62 -8.713 12.357 -7.122 1.00 0.00 N ATOM 864 CA ASP A 62 -9.718 13.414 -7.113 1.00 0.00 C ATOM 865 C ASP A 62 -9.060 14.790 -7.130 1.00 0.00 C ATOM 866 O ASP A 62 -9.716 15.800 -7.381 1.00 0.00 O ATOM 867 CB ASP A 62 -10.618 13.280 -5.884 1.00 0.00 C ATOM 868 CG ASP A 62 -11.964 13.950 -6.076 1.00 0.00 C ATOM 869 OD1 ASP A 62 -12.869 13.308 -6.650 1.00 0.00 O ATOM 870 OD2 ASP A 62 -12.113 15.116 -5.654 1.00 0.00 O ATOM 0 H ASP A 62 -8.190 12.266 -6.251 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.326 13.311 -8.012 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.770 12.224 -5.662 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.117 13.718 -5.021 1.00 0.00 H new ATOM 875 N GLY A 63 -7.758 14.821 -6.861 1.00 0.00 N ATOM 876 CA GLY A 63 -7.033 16.079 -6.850 1.00 0.00 C ATOM 877 C GLY A 63 -6.883 16.674 -8.236 1.00 0.00 C ATOM 878 O GLY A 63 -7.042 15.978 -9.237 1.00 0.00 O ATOM 0 H GLY A 63 -7.193 13.998 -6.651 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.554 16.789 -6.208 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.045 15.922 -6.417 1.00 0.00 H new ATOM 882 N GLU A 64 -6.579 17.967 -8.293 1.00 0.00 N ATOM 883 CA GLU A 64 -6.410 18.656 -9.567 1.00 0.00 C ATOM 884 C GLU A 64 -5.275 18.034 -10.376 1.00 0.00 C ATOM 885 O GLU A 64 -5.405 17.815 -11.580 1.00 0.00 O ATOM 886 CB GLU A 64 -6.132 20.142 -9.336 1.00 0.00 C ATOM 887 CG GLU A 64 -7.351 20.926 -8.879 1.00 0.00 C ATOM 888 CD GLU A 64 -8.645 20.376 -9.448 1.00 0.00 C ATOM 889 OE1 GLU A 64 -8.991 20.739 -10.591 1.00 0.00 O ATOM 890 OE2 GLU A 64 -9.310 19.583 -8.750 1.00 0.00 O ATOM 0 H GLU A 64 -6.445 18.558 -7.472 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.336 18.551 -10.133 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.344 20.244 -8.589 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.754 20.580 -10.260 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.401 20.910 -7.790 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.241 21.968 -9.178 1.00 0.00 H new ATOM 897 N ASP A 65 -4.164 17.754 -9.705 1.00 0.00 N ATOM 898 CA ASP A 65 -3.005 17.157 -10.360 1.00 0.00 C ATOM 899 C ASP A 65 -2.995 15.643 -10.173 1.00 0.00 C ATOM 900 O ASP A 65 -2.924 15.147 -9.048 1.00 0.00 O ATOM 901 CB ASP A 65 -1.713 17.761 -9.807 1.00 0.00 C ATOM 902 CG ASP A 65 -0.480 17.241 -10.521 1.00 0.00 C ATOM 903 OD1 ASP A 65 -0.516 17.132 -11.764 1.00 0.00 O ATOM 904 OD2 ASP A 65 0.521 16.946 -9.835 1.00 0.00 O ATOM 0 H ASP A 65 -4.041 17.930 -8.708 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.070 17.372 -11.427 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -1.753 18.846 -9.901 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.636 17.536 -8.743 1.00 0.00 H new ATOM 909 N ARG A 66 -3.068 14.914 -11.282 1.00 0.00 N ATOM 910 CA ARG A 66 -3.069 13.457 -11.240 1.00 0.00 C ATOM 911 C ARG A 66 -1.650 12.909 -11.352 1.00 0.00 C ATOM 912 O ARG A 66 -1.442 11.783 -11.803 1.00 0.00 O ATOM 913 CB ARG A 66 -3.936 12.894 -12.368 1.00 0.00 C ATOM 914 CG ARG A 66 -5.396 12.716 -11.984 1.00 0.00 C ATOM 915 CD ARG A 66 -6.115 14.052 -11.892 1.00 0.00 C ATOM 916 NE ARG A 66 -6.244 14.696 -13.196 1.00 0.00 N ATOM 917 CZ ARG A 66 -6.983 15.778 -13.412 1.00 0.00 C ATOM 918 NH1 ARG A 66 -7.656 16.335 -12.415 1.00 0.00 N ATOM 919 NH2 ARG A 66 -7.051 16.305 -14.628 1.00 0.00 N ATOM 0 H ARG A 66 -3.127 15.309 -12.221 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.485 13.146 -10.282 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.874 13.560 -13.229 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.531 11.931 -12.680 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.893 12.084 -12.721 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.461 12.200 -11.026 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.106 13.902 -11.463 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.571 14.710 -11.215 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.739 14.292 -13.985 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.607 15.933 -11.479 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.223 17.166 -12.584 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -6.535 15.879 -15.398 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.619 17.136 -14.793 1.00 0.00 H new ATOM 933 N GLY A 67 -0.675 13.713 -10.938 1.00 0.00 N ATOM 934 CA GLY A 67 0.712 13.291 -11.001 1.00 0.00 C ATOM 935 C GLY A 67 1.038 12.218 -9.982 1.00 0.00 C ATOM 936 O GLY A 67 1.076 12.484 -8.780 1.00 0.00 O ATOM 0 H GLY A 67 -0.821 14.649 -10.560 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.929 12.916 -12.001 1.00 0.00 H new ATOM 0 HA3 GLY A 67 1.359 14.153 -10.836 1.00 0.00 H new ATOM 940 N ARG A 68 1.273 11.001 -10.461 1.00 0.00 N ATOM 941 CA ARG A 68 1.595 9.882 -9.583 1.00 0.00 C ATOM 942 C ARG A 68 3.061 9.925 -9.163 1.00 0.00 C ATOM 943 O ARG A 68 3.960 9.854 -10.002 1.00 0.00 O ATOM 944 CB ARG A 68 1.291 8.555 -10.280 1.00 0.00 C ATOM 945 CG ARG A 68 1.549 7.337 -9.409 1.00 0.00 C ATOM 946 CD ARG A 68 2.976 6.834 -9.563 1.00 0.00 C ATOM 947 NE ARG A 68 3.074 5.391 -9.356 1.00 0.00 N ATOM 948 CZ ARG A 68 2.834 4.495 -10.306 1.00 0.00 C ATOM 949 NH1 ARG A 68 2.484 4.890 -11.522 1.00 0.00 N ATOM 950 NH2 ARG A 68 2.944 3.199 -10.040 1.00 0.00 N ATOM 0 H ARG A 68 1.246 10.764 -11.453 1.00 0.00 H new ATOM 0 HA ARG A 68 0.977 9.964 -8.689 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.248 8.551 -10.596 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.898 8.481 -11.183 1.00 0.00 H new ATOM 0 HG2 ARG A 68 1.361 7.589 -8.365 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.851 6.543 -9.676 1.00 0.00 H new ATOM 0 HD2 ARG A 68 3.342 7.083 -10.559 1.00 0.00 H new ATOM 0 HD3 ARG A 68 3.620 7.347 -8.849 1.00 0.00 H new ATOM 0 HE ARG A 68 3.341 5.054 -8.431 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.398 5.885 -11.730 1.00 0.00 H new ATOM 0 HH12 ARG A 68 2.300 4.199 -12.250 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.213 2.891 -9.105 1.00 0.00 H new ATOM 0 HH22 ARG A 68 2.760 2.511 -10.770 1.00 0.00 H new ATOM 964 N HIS A 69 3.295 10.043 -7.860 1.00 0.00 N ATOM 965 CA HIS A 69 4.652 10.095 -7.328 1.00 0.00 C ATOM 966 C HIS A 69 5.120 8.709 -6.895 1.00 0.00 C ATOM 967 O HIS A 69 4.309 7.807 -6.683 1.00 0.00 O ATOM 968 CB HIS A 69 4.723 11.062 -6.146 1.00 0.00 C ATOM 969 CG HIS A 69 4.875 12.496 -6.554 1.00 0.00 C ATOM 970 ND1 HIS A 69 5.991 13.249 -6.254 1.00 0.00 N ATOM 971 CD2 HIS A 69 4.045 13.313 -7.243 1.00 0.00 C ATOM 972 CE1 HIS A 69 5.840 14.468 -6.739 1.00 0.00 C ATOM 973 NE2 HIS A 69 4.667 14.533 -7.345 1.00 0.00 N ATOM 0 H HIS A 69 2.562 10.104 -7.153 1.00 0.00 H new ATOM 0 HA HIS A 69 5.312 10.451 -8.119 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.819 10.957 -5.546 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.562 10.783 -5.509 1.00 0.00 H new ATOM 0 HD2 HIS A 69 3.074 13.054 -7.639 1.00 0.00 H new ATOM 0 HE1 HIS A 69 6.553 15.274 -6.655 1.00 0.00 H new ATOM 0 HE2 HIS A 69 4.286 15.356 -7.812 1.00 0.00 H new ATOM 982 N VAL A 70 6.433 8.546 -6.767 1.00 0.00 N ATOM 983 CA VAL A 70 7.009 7.270 -6.359 1.00 0.00 C ATOM 984 C VAL A 70 8.088 7.467 -5.301 1.00 0.00 C ATOM 985 O VAL A 70 8.912 8.377 -5.401 1.00 0.00 O ATOM 986 CB VAL A 70 7.613 6.518 -7.559 1.00 0.00 C ATOM 987 CG1 VAL A 70 8.194 5.183 -7.116 1.00 0.00 C ATOM 988 CG2 VAL A 70 6.566 6.318 -8.645 1.00 0.00 C ATOM 0 H VAL A 70 7.118 9.282 -6.940 1.00 0.00 H new ATOM 0 HA VAL A 70 6.197 6.676 -5.939 1.00 0.00 H new ATOM 0 HB VAL A 70 8.422 7.120 -7.972 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.616 4.666 -7.978 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.976 5.354 -6.376 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.406 4.571 -6.676 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.011 5.785 -9.485 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.734 5.737 -8.246 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.202 7.288 -8.983 1.00 0.00 H new ATOM 998 N VAL A 71 8.079 6.608 -4.286 1.00 0.00 N ATOM 999 CA VAL A 71 9.058 6.687 -3.209 1.00 0.00 C ATOM 1000 C VAL A 71 10.221 5.732 -3.453 1.00 0.00 C ATOM 1001 O VAL A 71 10.019 4.559 -3.770 1.00 0.00 O ATOM 1002 CB VAL A 71 8.420 6.363 -1.845 1.00 0.00 C ATOM 1003 CG1 VAL A 71 9.458 6.446 -0.737 1.00 0.00 C ATOM 1004 CG2 VAL A 71 7.255 7.300 -1.567 1.00 0.00 C ATOM 0 H VAL A 71 7.404 5.849 -4.188 1.00 0.00 H new ATOM 0 HA VAL A 71 9.429 7.712 -3.194 1.00 0.00 H new ATOM 0 HB VAL A 71 8.037 5.343 -1.875 1.00 0.00 H new ATOM 0 HG11 VAL A 71 8.989 6.214 0.219 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.257 5.731 -0.932 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.874 7.453 -0.702 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.816 7.057 -0.599 1.00 0.00 H new ATOM 0 HG22 VAL A 71 7.611 8.330 -1.556 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.502 7.185 -2.346 1.00 0.00 H new ATOM 1014 N ASP A 72 11.439 6.241 -3.303 1.00 0.00 N ATOM 1015 CA ASP A 72 12.636 5.432 -3.505 1.00 0.00 C ATOM 1016 C ASP A 72 13.512 5.436 -2.257 1.00 0.00 C ATOM 1017 O ASP A 72 13.526 6.406 -1.499 1.00 0.00 O ATOM 1018 CB ASP A 72 13.432 5.952 -4.704 1.00 0.00 C ATOM 1019 CG ASP A 72 13.636 7.454 -4.655 1.00 0.00 C ATOM 1020 OD1 ASP A 72 13.562 8.027 -3.549 1.00 0.00 O ATOM 1021 OD2 ASP A 72 13.869 8.056 -5.725 1.00 0.00 O ATOM 0 H ASP A 72 11.624 7.210 -3.042 1.00 0.00 H new ATOM 0 HA ASP A 72 12.323 4.407 -3.703 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.403 5.457 -4.734 1.00 0.00 H new ATOM 0 HB3 ASP A 72 12.911 5.689 -5.624 1.00 0.00 H new ATOM 1026 N GLY A 73 14.242 4.344 -2.048 1.00 0.00 N ATOM 1027 CA GLY A 73 15.109 4.242 -0.889 1.00 0.00 C ATOM 1028 C GLY A 73 14.361 3.824 0.361 1.00 0.00 C ATOM 1029 O GLY A 73 14.462 4.477 1.400 1.00 0.00 O ATOM 0 H GLY A 73 14.248 3.529 -2.661 1.00 0.00 H new ATOM 0 HA2 GLY A 73 15.900 3.520 -1.093 1.00 0.00 H new ATOM 0 HA3 GLY A 73 15.592 5.204 -0.715 1.00 0.00 H new ATOM 1033 N ILE A 74 13.606 2.735 0.260 1.00 0.00 N ATOM 1034 CA ILE A 74 12.837 2.232 1.392 1.00 0.00 C ATOM 1035 C ILE A 74 13.413 0.917 1.907 1.00 0.00 C ATOM 1036 O ILE A 74 13.559 -0.046 1.154 1.00 0.00 O ATOM 1037 CB ILE A 74 11.358 2.020 1.018 1.00 0.00 C ATOM 1038 CG1 ILE A 74 10.731 3.340 0.564 1.00 0.00 C ATOM 1039 CG2 ILE A 74 10.592 1.440 2.197 1.00 0.00 C ATOM 1040 CD1 ILE A 74 9.275 3.213 0.173 1.00 0.00 C ATOM 0 H ILE A 74 13.510 2.184 -0.593 1.00 0.00 H new ATOM 0 HA ILE A 74 12.901 2.986 2.177 1.00 0.00 H new ATOM 0 HB ILE A 74 11.304 1.311 0.192 1.00 0.00 H new ATOM 0 HG12 ILE A 74 10.821 4.071 1.367 1.00 0.00 H new ATOM 0 HG13 ILE A 74 11.294 3.728 -0.285 1.00 0.00 H new ATOM 0 HG21 ILE A 74 9.548 1.296 1.917 1.00 0.00 H new ATOM 0 HG22 ILE A 74 11.028 0.481 2.478 1.00 0.00 H new ATOM 0 HG23 ILE A 74 10.650 2.127 3.042 1.00 0.00 H new ATOM 0 HD11 ILE A 74 8.896 4.186 -0.138 1.00 0.00 H new ATOM 0 HD12 ILE A 74 9.180 2.506 -0.651 1.00 0.00 H new ATOM 0 HD13 ILE A 74 8.699 2.855 1.026 1.00 0.00 H new ATOM 1052 N SER A 75 13.737 0.884 3.195 1.00 0.00 N ATOM 1053 CA SER A 75 14.299 -0.312 3.812 1.00 0.00 C ATOM 1054 C SER A 75 13.345 -1.494 3.673 1.00 0.00 C ATOM 1055 O SER A 75 12.135 -1.355 3.858 1.00 0.00 O ATOM 1056 CB SER A 75 14.601 -0.057 5.289 1.00 0.00 C ATOM 1057 OG SER A 75 15.310 1.158 5.462 1.00 0.00 O ATOM 0 H SER A 75 13.620 1.672 3.832 1.00 0.00 H new ATOM 0 HA SER A 75 15.228 -0.554 3.296 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.669 -0.021 5.853 1.00 0.00 H new ATOM 0 HB3 SER A 75 15.186 -0.884 5.692 1.00 0.00 H new ATOM 0 HG SER A 75 15.490 1.299 6.415 1.00 0.00 H new ATOM 1063 N ARG A 76 13.897 -2.658 3.346 1.00 0.00 N ATOM 1064 CA ARG A 76 13.096 -3.865 3.181 1.00 0.00 C ATOM 1065 C ARG A 76 12.541 -4.337 4.522 1.00 0.00 C ATOM 1066 O ARG A 76 11.577 -5.100 4.571 1.00 0.00 O ATOM 1067 CB ARG A 76 13.934 -4.976 2.545 1.00 0.00 C ATOM 1068 CG ARG A 76 15.022 -5.516 3.457 1.00 0.00 C ATOM 1069 CD ARG A 76 16.122 -6.205 2.664 1.00 0.00 C ATOM 1070 NE ARG A 76 16.894 -7.131 3.489 1.00 0.00 N ATOM 1071 CZ ARG A 76 16.404 -8.267 3.974 1.00 0.00 C ATOM 1072 NH1 ARG A 76 15.151 -8.615 3.717 1.00 0.00 N ATOM 1073 NH2 ARG A 76 17.168 -9.057 4.717 1.00 0.00 N ATOM 0 H ARG A 76 14.896 -2.791 3.190 1.00 0.00 H new ATOM 0 HA ARG A 76 12.259 -3.628 2.524 1.00 0.00 H new ATOM 0 HB2 ARG A 76 13.276 -5.795 2.254 1.00 0.00 H new ATOM 0 HB3 ARG A 76 14.392 -4.596 1.632 1.00 0.00 H new ATOM 0 HG2 ARG A 76 15.449 -4.699 4.039 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.587 -6.220 4.166 1.00 0.00 H new ATOM 0 HD2 ARG A 76 15.681 -6.747 1.827 1.00 0.00 H new ATOM 0 HD3 ARG A 76 16.789 -5.454 2.241 1.00 0.00 H new ATOM 0 HE ARG A 76 17.862 -6.893 3.705 1.00 0.00 H new ATOM 0 HH11 ARG A 76 14.561 -8.010 3.146 1.00 0.00 H new ATOM 0 HH12 ARG A 76 14.777 -9.487 4.090 1.00 0.00 H new ATOM 0 HH21 ARG A 76 18.133 -8.793 4.917 1.00 0.00 H new ATOM 0 HH22 ARG A 76 16.791 -9.929 5.089 1.00 0.00 H new ATOM 1087 N GLU A 77 13.157 -3.876 5.606 1.00 0.00 N ATOM 1088 CA GLU A 77 12.724 -4.253 6.947 1.00 0.00 C ATOM 1089 C GLU A 77 11.549 -3.392 7.402 1.00 0.00 C ATOM 1090 O GLU A 77 10.949 -3.643 8.447 1.00 0.00 O ATOM 1091 CB GLU A 77 13.883 -4.118 7.938 1.00 0.00 C ATOM 1092 CG GLU A 77 14.720 -2.867 7.728 1.00 0.00 C ATOM 1093 CD GLU A 77 15.634 -2.574 8.902 1.00 0.00 C ATOM 1094 OE1 GLU A 77 16.639 -3.296 9.067 1.00 0.00 O ATOM 1095 OE2 GLU A 77 15.345 -1.621 9.655 1.00 0.00 O ATOM 0 H GLU A 77 13.956 -3.242 5.582 1.00 0.00 H new ATOM 0 HA GLU A 77 12.400 -5.293 6.917 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.484 -4.112 8.952 1.00 0.00 H new ATOM 0 HB3 GLU A 77 14.526 -4.994 7.854 1.00 0.00 H new ATOM 0 HG2 GLU A 77 15.320 -2.983 6.825 1.00 0.00 H new ATOM 0 HG3 GLU A 77 14.060 -2.015 7.565 1.00 0.00 H new ATOM 1102 N HIS A 78 11.227 -2.375 6.609 1.00 0.00 N ATOM 1103 CA HIS A 78 10.124 -1.476 6.929 1.00 0.00 C ATOM 1104 C HIS A 78 8.884 -1.823 6.110 1.00 0.00 C ATOM 1105 O HIS A 78 8.782 -1.464 4.937 1.00 0.00 O ATOM 1106 CB HIS A 78 10.529 -0.024 6.670 1.00 0.00 C ATOM 1107 CG HIS A 78 11.197 0.629 7.841 1.00 0.00 C ATOM 1108 ND1 HIS A 78 10.736 0.507 9.135 1.00 0.00 N ATOM 1109 CD2 HIS A 78 12.299 1.412 7.909 1.00 0.00 C ATOM 1110 CE1 HIS A 78 11.524 1.188 9.947 1.00 0.00 C ATOM 1111 NE2 HIS A 78 12.481 1.746 9.228 1.00 0.00 N ATOM 0 H HIS A 78 11.714 -2.153 5.741 1.00 0.00 H new ATOM 0 HA HIS A 78 9.886 -1.597 7.986 1.00 0.00 H new ATOM 0 HB2 HIS A 78 11.202 0.010 5.813 1.00 0.00 H new ATOM 0 HB3 HIS A 78 9.642 0.550 6.402 1.00 0.00 H new ATOM 0 HD2 HIS A 78 12.920 1.717 7.080 1.00 0.00 H new ATOM 0 HE1 HIS A 78 11.406 1.274 11.017 1.00 0.00 H new ATOM 0 HE2 HIS A 78 13.233 2.330 9.593 1.00 0.00 H new ATOM 1120 N SER A 79 7.945 -2.525 6.736 1.00 0.00 N ATOM 1121 CA SER A 79 6.714 -2.926 6.064 1.00 0.00 C ATOM 1122 C SER A 79 5.691 -1.794 6.084 1.00 0.00 C ATOM 1123 O SER A 79 4.498 -2.018 5.883 1.00 0.00 O ATOM 1124 CB SER A 79 6.127 -4.172 6.729 1.00 0.00 C ATOM 1125 OG SER A 79 5.393 -3.831 7.892 1.00 0.00 O ATOM 0 H SER A 79 8.013 -2.828 7.708 1.00 0.00 H new ATOM 0 HA SER A 79 6.954 -3.157 5.026 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.478 -4.692 6.025 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.930 -4.861 6.991 1.00 0.00 H new ATOM 0 HG SER A 79 4.464 -4.125 7.790 1.00 0.00 H new ATOM 1131 N SER A 80 6.168 -0.578 6.329 1.00 0.00 N ATOM 1132 CA SER A 80 5.296 0.589 6.381 1.00 0.00 C ATOM 1133 C SER A 80 6.039 1.843 5.931 1.00 0.00 C ATOM 1134 O SER A 80 7.269 1.889 5.951 1.00 0.00 O ATOM 1135 CB SER A 80 4.753 0.785 7.798 1.00 0.00 C ATOM 1136 OG SER A 80 5.806 0.830 8.745 1.00 0.00 O ATOM 0 H SER A 80 7.154 -0.375 6.495 1.00 0.00 H new ATOM 0 HA SER A 80 4.462 0.418 5.701 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.177 1.709 7.846 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.071 -0.029 8.046 1.00 0.00 H new ATOM 0 HG SER A 80 5.434 0.958 9.642 1.00 0.00 H new ATOM 1142 N TRP A 81 5.284 2.858 5.527 1.00 0.00 N ATOM 1143 CA TRP A 81 5.870 4.113 5.071 1.00 0.00 C ATOM 1144 C TRP A 81 4.932 5.284 5.346 1.00 0.00 C ATOM 1145 O TRP A 81 3.711 5.126 5.345 1.00 0.00 O ATOM 1146 CB TRP A 81 6.189 4.039 3.577 1.00 0.00 C ATOM 1147 CG TRP A 81 7.069 5.155 3.102 1.00 0.00 C ATOM 1148 CD1 TRP A 81 6.688 6.248 2.378 1.00 0.00 C ATOM 1149 CD2 TRP A 81 8.479 5.285 3.315 1.00 0.00 C ATOM 1150 NE1 TRP A 81 7.775 7.050 2.128 1.00 0.00 N ATOM 1151 CE2 TRP A 81 8.886 6.482 2.693 1.00 0.00 C ATOM 1152 CE3 TRP A 81 9.437 4.508 3.973 1.00 0.00 C ATOM 1153 CZ2 TRP A 81 10.209 6.916 2.710 1.00 0.00 C ATOM 1154 CZ3 TRP A 81 10.749 4.941 3.988 1.00 0.00 C ATOM 1155 CH2 TRP A 81 11.125 6.136 3.361 1.00 0.00 C ATOM 0 H TRP A 81 4.264 2.837 5.506 1.00 0.00 H new ATOM 0 HA TRP A 81 6.795 4.275 5.625 1.00 0.00 H new ATOM 0 HB2 TRP A 81 6.674 3.087 3.363 1.00 0.00 H new ATOM 0 HB3 TRP A 81 5.257 4.055 3.012 1.00 0.00 H new ATOM 0 HD1 TRP A 81 5.680 6.452 2.050 1.00 0.00 H new ATOM 0 HE1 TRP A 81 7.758 7.926 1.606 1.00 0.00 H new ATOM 0 HE3 TRP A 81 9.157 3.586 4.461 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 10.502 7.836 2.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 11.498 4.348 4.492 1.00 0.00 H new ATOM 0 HH2 TRP A 81 12.159 6.448 3.392 1.00 0.00 H new ATOM 1166 N ASP A 82 5.510 6.457 5.580 1.00 0.00 N ATOM 1167 CA ASP A 82 4.724 7.654 5.855 1.00 0.00 C ATOM 1168 C ASP A 82 4.879 8.675 4.733 1.00 0.00 C ATOM 1169 O ASP A 82 5.866 9.410 4.679 1.00 0.00 O ATOM 1170 CB ASP A 82 5.149 8.274 7.187 1.00 0.00 C ATOM 1171 CG ASP A 82 6.647 8.204 7.407 1.00 0.00 C ATOM 1172 OD1 ASP A 82 7.398 8.300 6.413 1.00 0.00 O ATOM 1173 OD2 ASP A 82 7.070 8.054 8.572 1.00 0.00 O ATOM 0 H ASP A 82 6.519 6.604 5.585 1.00 0.00 H new ATOM 0 HA ASP A 82 3.675 7.364 5.916 1.00 0.00 H new ATOM 0 HB2 ASP A 82 4.829 9.315 7.218 1.00 0.00 H new ATOM 0 HB3 ASP A 82 4.641 7.759 8.002 1.00 0.00 H new ATOM 1178 N LEU A 83 3.898 8.716 3.837 1.00 0.00 N ATOM 1179 CA LEU A 83 3.925 9.647 2.714 1.00 0.00 C ATOM 1180 C LEU A 83 3.682 11.077 3.186 1.00 0.00 C ATOM 1181 O LEU A 83 2.766 11.337 3.966 1.00 0.00 O ATOM 1182 CB LEU A 83 2.873 9.254 1.676 1.00 0.00 C ATOM 1183 CG LEU A 83 2.975 7.833 1.121 1.00 0.00 C ATOM 1184 CD1 LEU A 83 1.670 7.425 0.454 1.00 0.00 C ATOM 1185 CD2 LEU A 83 4.134 7.724 0.141 1.00 0.00 C ATOM 0 H LEU A 83 3.074 8.115 3.867 1.00 0.00 H new ATOM 0 HA LEU A 83 4.913 9.599 2.257 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.887 9.378 2.123 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.935 9.953 0.842 1.00 0.00 H new ATOM 0 HG LEU A 83 3.163 7.152 1.951 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.762 6.411 0.065 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.861 7.462 1.184 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.451 8.109 -0.366 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.191 6.706 -0.243 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.977 8.416 -0.686 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.065 7.972 0.650 1.00 0.00 H new ATOM 1197 N VAL A 84 4.508 12.001 2.706 1.00 0.00 N ATOM 1198 CA VAL A 84 4.381 13.406 3.076 1.00 0.00 C ATOM 1199 C VAL A 84 4.348 14.298 1.840 1.00 0.00 C ATOM 1200 O VAL A 84 5.228 14.224 0.984 1.00 0.00 O ATOM 1201 CB VAL A 84 5.539 13.853 3.988 1.00 0.00 C ATOM 1202 CG1 VAL A 84 5.557 13.033 5.268 1.00 0.00 C ATOM 1203 CG2 VAL A 84 6.867 13.742 3.255 1.00 0.00 C ATOM 0 H VAL A 84 5.272 11.802 2.060 1.00 0.00 H new ATOM 0 HA VAL A 84 3.441 13.507 3.619 1.00 0.00 H new ATOM 0 HB VAL A 84 5.385 14.898 4.257 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.382 13.363 5.900 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.615 13.169 5.800 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.687 11.979 5.023 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.674 14.062 3.914 1.00 0.00 H new ATOM 0 HG22 VAL A 84 7.032 12.707 2.955 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.848 14.378 2.370 1.00 0.00 H new ATOM 1213 N GLY A 85 3.325 15.144 1.755 1.00 0.00 N ATOM 1214 CA GLY A 85 3.196 16.040 0.620 1.00 0.00 C ATOM 1215 C GLY A 85 1.948 15.767 -0.195 1.00 0.00 C ATOM 1216 O GLY A 85 2.028 15.474 -1.389 1.00 0.00 O ATOM 0 H GLY A 85 2.584 15.225 2.451 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.176 17.070 0.975 1.00 0.00 H new ATOM 0 HA3 GLY A 85 4.073 15.940 -0.020 1.00 0.00 H new ATOM 1220 N LEU A 86 0.790 15.862 0.450 1.00 0.00 N ATOM 1221 CA LEU A 86 -0.482 15.621 -0.222 1.00 0.00 C ATOM 1222 C LEU A 86 -1.491 16.714 0.114 1.00 0.00 C ATOM 1223 O LEU A 86 -1.262 17.529 1.008 1.00 0.00 O ATOM 1224 CB LEU A 86 -1.042 14.255 0.176 1.00 0.00 C ATOM 1225 CG LEU A 86 -0.021 13.124 0.308 1.00 0.00 C ATOM 1226 CD1 LEU A 86 -0.644 11.921 1.000 1.00 0.00 C ATOM 1227 CD2 LEU A 86 0.523 12.734 -1.058 1.00 0.00 C ATOM 0 H LEU A 86 0.706 16.104 1.437 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.304 15.634 -1.297 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.562 14.361 1.128 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.787 13.961 -0.563 1.00 0.00 H new ATOM 0 HG LEU A 86 0.809 13.479 0.919 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.097 11.126 1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.983 12.209 1.995 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.493 11.565 0.416 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.248 11.928 -0.944 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.296 12.398 -1.694 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.008 13.596 -1.516 1.00 0.00 H new ATOM 1239 N GLU A 87 -2.609 16.724 -0.606 1.00 0.00 N ATOM 1240 CA GLU A 87 -3.653 17.716 -0.381 1.00 0.00 C ATOM 1241 C GLU A 87 -4.440 17.401 0.887 1.00 0.00 C ATOM 1242 O GLU A 87 -4.391 16.282 1.400 1.00 0.00 O ATOM 1243 CB GLU A 87 -4.600 17.772 -1.582 1.00 0.00 C ATOM 1244 CG GLU A 87 -5.309 19.107 -1.735 1.00 0.00 C ATOM 1245 CD GLU A 87 -4.346 20.277 -1.789 1.00 0.00 C ATOM 1246 OE1 GLU A 87 -3.931 20.754 -0.712 1.00 0.00 O ATOM 1247 OE2 GLU A 87 -4.007 20.714 -2.909 1.00 0.00 O ATOM 0 H GLU A 87 -2.814 16.056 -1.349 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.175 18.688 -0.258 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.034 17.564 -2.490 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.346 16.983 -1.483 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.909 19.093 -2.645 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.997 19.246 -0.901 1.00 0.00 H new ATOM 1254 N LYS A 88 -5.165 18.395 1.389 1.00 0.00 N ATOM 1255 CA LYS A 88 -5.963 18.226 2.597 1.00 0.00 C ATOM 1256 C LYS A 88 -7.406 17.872 2.251 1.00 0.00 C ATOM 1257 O LYS A 88 -7.992 18.445 1.332 1.00 0.00 O ATOM 1258 CB LYS A 88 -5.929 19.503 3.440 1.00 0.00 C ATOM 1259 CG LYS A 88 -4.528 20.045 3.665 1.00 0.00 C ATOM 1260 CD LYS A 88 -4.559 21.412 4.328 1.00 0.00 C ATOM 1261 CE LYS A 88 -3.273 22.183 4.075 1.00 0.00 C ATOM 1262 NZ LYS A 88 -3.486 23.655 4.149 1.00 0.00 N ATOM 0 H LYS A 88 -5.216 19.327 0.977 1.00 0.00 H new ATOM 0 HA LYS A 88 -5.534 17.406 3.173 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -6.531 20.268 2.950 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -6.392 19.303 4.406 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -3.964 19.350 4.287 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -4.006 20.114 2.711 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -5.407 21.982 3.949 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -4.709 21.294 5.401 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -2.522 21.887 4.808 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -2.880 21.922 3.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -2.586 24.145 3.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -4.184 23.941 3.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -3.837 23.908 5.095 1.00 0.00 H new ATOM 1276 N TRP A 89 -7.972 16.926 2.991 1.00 0.00 N ATOM 1277 CA TRP A 89 -9.348 16.497 2.762 1.00 0.00 C ATOM 1278 C TRP A 89 -9.539 16.028 1.325 1.00 0.00 C ATOM 1279 O TRP A 89 -10.506 16.405 0.661 1.00 0.00 O ATOM 1280 CB TRP A 89 -10.318 17.638 3.073 1.00 0.00 C ATOM 1281 CG TRP A 89 -11.642 17.167 3.593 1.00 0.00 C ATOM 1282 CD1 TRP A 89 -11.881 16.039 4.325 1.00 0.00 C ATOM 1283 CD2 TRP A 89 -12.909 17.811 3.420 1.00 0.00 C ATOM 1284 NE1 TRP A 89 -13.220 15.942 4.617 1.00 0.00 N ATOM 1285 CE2 TRP A 89 -13.872 17.018 4.074 1.00 0.00 C ATOM 1286 CE3 TRP A 89 -13.323 18.981 2.778 1.00 0.00 C ATOM 1287 CZ2 TRP A 89 -15.222 17.358 4.101 1.00 0.00 C ATOM 1288 CZ3 TRP A 89 -14.663 19.317 2.806 1.00 0.00 C ATOM 1289 CH2 TRP A 89 -15.600 18.509 3.464 1.00 0.00 C ATOM 0 H TRP A 89 -7.500 16.441 3.754 1.00 0.00 H new ATOM 0 HA TRP A 89 -9.558 15.660 3.428 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -9.863 18.302 3.808 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -10.479 18.225 2.169 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -11.128 15.328 4.630 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -13.658 15.191 5.151 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -12.609 19.611 2.269 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -15.945 16.736 4.607 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -14.994 20.218 2.312 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -16.640 18.800 3.469 1.00 0.00 H new ATOM 1300 N THR A 90 -8.613 15.203 0.847 1.00 0.00 N ATOM 1301 CA THR A 90 -8.679 14.683 -0.513 1.00 0.00 C ATOM 1302 C THR A 90 -8.248 13.222 -0.565 1.00 0.00 C ATOM 1303 O THR A 90 -7.388 12.792 0.204 1.00 0.00 O ATOM 1304 CB THR A 90 -7.795 15.502 -1.471 1.00 0.00 C ATOM 1305 OG1 THR A 90 -8.217 16.870 -1.479 1.00 0.00 O ATOM 1306 CG2 THR A 90 -7.860 14.938 -2.883 1.00 0.00 C ATOM 0 H THR A 90 -7.807 14.880 1.383 1.00 0.00 H new ATOM 0 HA THR A 90 -9.718 14.763 -0.832 1.00 0.00 H new ATOM 0 HB THR A 90 -6.765 15.442 -1.120 1.00 0.00 H new ATOM 0 HG1 THR A 90 -8.080 17.260 -0.590 1.00 0.00 H new ATOM 0 HG21 THR A 90 -7.228 15.533 -3.542 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.510 13.906 -2.879 1.00 0.00 H new ATOM 0 HG23 THR A 90 -8.889 14.971 -3.241 1.00 0.00 H new ATOM 1314 N GLU A 91 -8.850 12.464 -1.476 1.00 0.00 N ATOM 1315 CA GLU A 91 -8.527 11.050 -1.626 1.00 0.00 C ATOM 1316 C GLU A 91 -7.228 10.869 -2.408 1.00 0.00 C ATOM 1317 O GLU A 91 -6.944 11.618 -3.343 1.00 0.00 O ATOM 1318 CB GLU A 91 -9.667 10.316 -2.334 1.00 0.00 C ATOM 1319 CG GLU A 91 -9.645 8.811 -2.125 1.00 0.00 C ATOM 1320 CD GLU A 91 -11.019 8.183 -2.259 1.00 0.00 C ATOM 1321 OE1 GLU A 91 -11.481 8.006 -3.405 1.00 0.00 O ATOM 1322 OE2 GLU A 91 -11.631 7.868 -1.217 1.00 0.00 O ATOM 0 H GLU A 91 -9.563 12.805 -2.121 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.394 10.626 -0.631 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.619 10.710 -1.977 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.615 10.527 -3.402 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.970 8.357 -2.850 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.244 8.591 -1.136 1.00 0.00 H new ATOM 1329 N TYR A 92 -6.444 9.870 -2.017 1.00 0.00 N ATOM 1330 CA TYR A 92 -5.175 9.592 -2.678 1.00 0.00 C ATOM 1331 C TYR A 92 -4.961 8.090 -2.837 1.00 0.00 C ATOM 1332 O TYR A 92 -4.999 7.339 -1.862 1.00 0.00 O ATOM 1333 CB TYR A 92 -4.018 10.202 -1.884 1.00 0.00 C ATOM 1334 CG TYR A 92 -3.717 11.636 -2.256 1.00 0.00 C ATOM 1335 CD1 TYR A 92 -4.422 12.686 -1.681 1.00 0.00 C ATOM 1336 CD2 TYR A 92 -2.729 11.940 -3.184 1.00 0.00 C ATOM 1337 CE1 TYR A 92 -4.151 13.998 -2.019 1.00 0.00 C ATOM 1338 CE2 TYR A 92 -2.450 13.249 -3.527 1.00 0.00 C ATOM 1339 CZ TYR A 92 -3.164 14.274 -2.942 1.00 0.00 C ATOM 1340 OH TYR A 92 -2.890 15.579 -3.281 1.00 0.00 O ATOM 0 H TYR A 92 -6.665 9.240 -1.246 1.00 0.00 H new ATOM 0 HA TYR A 92 -5.205 10.043 -3.670 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -4.253 10.153 -0.821 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -3.123 9.599 -2.041 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -5.195 12.473 -0.957 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -2.169 11.140 -3.645 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -4.709 14.803 -1.563 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -1.677 13.468 -4.249 1.00 0.00 H new ATOM 0 HH TYR A 92 -2.168 15.600 -3.943 1.00 0.00 H new ATOM 1350 N ARG A 93 -4.736 7.659 -4.074 1.00 0.00 N ATOM 1351 CA ARG A 93 -4.517 6.247 -4.363 1.00 0.00 C ATOM 1352 C ARG A 93 -3.051 5.873 -4.164 1.00 0.00 C ATOM 1353 O ARG A 93 -2.184 6.285 -4.935 1.00 0.00 O ATOM 1354 CB ARG A 93 -4.947 5.925 -5.795 1.00 0.00 C ATOM 1355 CG ARG A 93 -6.436 5.659 -5.939 1.00 0.00 C ATOM 1356 CD ARG A 93 -6.803 5.299 -7.370 1.00 0.00 C ATOM 1357 NE ARG A 93 -8.236 5.071 -7.528 1.00 0.00 N ATOM 1358 CZ ARG A 93 -8.870 4.011 -7.037 1.00 0.00 C ATOM 1359 NH1 ARG A 93 -8.200 3.088 -6.362 1.00 0.00 N ATOM 1360 NH2 ARG A 93 -10.177 3.874 -7.222 1.00 0.00 N ATOM 0 H ARG A 93 -4.701 8.267 -4.892 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.121 5.662 -3.670 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -4.671 6.756 -6.444 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -4.395 5.052 -6.143 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -6.728 4.847 -5.273 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -6.996 6.542 -5.630 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -6.488 6.101 -8.037 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -6.259 4.403 -7.669 1.00 0.00 H new ATOM 0 HE ARG A 93 -8.780 5.763 -8.043 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -7.195 3.190 -6.218 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -8.689 2.276 -5.986 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -10.696 4.582 -7.741 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -10.663 3.060 -6.845 1.00 0.00 H new ATOM 1374 N VAL A 94 -2.781 5.089 -3.125 1.00 0.00 N ATOM 1375 CA VAL A 94 -1.421 4.659 -2.824 1.00 0.00 C ATOM 1376 C VAL A 94 -1.189 3.219 -3.270 1.00 0.00 C ATOM 1377 O VAL A 94 -2.043 2.354 -3.076 1.00 0.00 O ATOM 1378 CB VAL A 94 -1.115 4.774 -1.319 1.00 0.00 C ATOM 1379 CG1 VAL A 94 0.260 4.202 -1.008 1.00 0.00 C ATOM 1380 CG2 VAL A 94 -1.215 6.222 -0.865 1.00 0.00 C ATOM 0 H VAL A 94 -3.487 4.739 -2.477 1.00 0.00 H new ATOM 0 HA VAL A 94 -0.751 5.320 -3.374 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.856 4.193 -0.770 1.00 0.00 H new ATOM 0 HG11 VAL A 94 0.458 4.292 0.060 1.00 0.00 H new ATOM 0 HG12 VAL A 94 0.290 3.151 -1.295 1.00 0.00 H new ATOM 0 HG13 VAL A 94 1.018 4.753 -1.566 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -0.996 6.285 0.201 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.498 6.827 -1.419 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.223 6.593 -1.051 1.00 0.00 H new ATOM 1390 N TRP A 95 -0.030 2.970 -3.868 1.00 0.00 N ATOM 1391 CA TRP A 95 0.315 1.635 -4.341 1.00 0.00 C ATOM 1392 C TRP A 95 1.661 1.189 -3.781 1.00 0.00 C ATOM 1393 O TRP A 95 2.702 1.752 -4.121 1.00 0.00 O ATOM 1394 CB TRP A 95 0.350 1.606 -5.870 1.00 0.00 C ATOM 1395 CG TRP A 95 -0.987 1.857 -6.500 1.00 0.00 C ATOM 1396 CD1 TRP A 95 -1.980 0.942 -6.706 1.00 0.00 C ATOM 1397 CD2 TRP A 95 -1.476 3.103 -7.006 1.00 0.00 C ATOM 1398 NE1 TRP A 95 -3.057 1.545 -7.310 1.00 0.00 N ATOM 1399 CE2 TRP A 95 -2.773 2.871 -7.504 1.00 0.00 C ATOM 1400 CE3 TRP A 95 -0.945 4.394 -7.086 1.00 0.00 C ATOM 1401 CZ2 TRP A 95 -3.543 3.881 -8.074 1.00 0.00 C ATOM 1402 CZ3 TRP A 95 -1.711 5.395 -7.651 1.00 0.00 C ATOM 1403 CH2 TRP A 95 -2.999 5.135 -8.139 1.00 0.00 C ATOM 0 H TRP A 95 0.687 3.675 -4.037 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.451 0.944 -3.989 1.00 0.00 H new ATOM 0 HB2 TRP A 95 1.057 2.356 -6.224 1.00 0.00 H new ATOM 0 HB3 TRP A 95 0.722 0.636 -6.199 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -1.927 -0.102 -6.434 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -3.927 1.081 -7.571 1.00 0.00 H new ATOM 0 HE3 TRP A 95 0.046 4.605 -6.713 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -4.535 3.682 -8.452 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -1.310 6.396 -7.718 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -3.573 5.940 -8.575 1.00 0.00 H new ATOM 1414 N VAL A 96 1.634 0.175 -2.922 1.00 0.00 N ATOM 1415 CA VAL A 96 2.853 -0.346 -2.316 1.00 0.00 C ATOM 1416 C VAL A 96 3.042 -1.823 -2.646 1.00 0.00 C ATOM 1417 O VAL A 96 2.130 -2.631 -2.470 1.00 0.00 O ATOM 1418 CB VAL A 96 2.838 -0.171 -0.786 1.00 0.00 C ATOM 1419 CG1 VAL A 96 1.551 -0.727 -0.197 1.00 0.00 C ATOM 1420 CG2 VAL A 96 4.053 -0.843 -0.162 1.00 0.00 C ATOM 0 H VAL A 96 0.781 -0.302 -2.630 1.00 0.00 H new ATOM 0 HA VAL A 96 3.683 0.226 -2.731 1.00 0.00 H new ATOM 0 HB VAL A 96 2.882 0.894 -0.559 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.559 -0.594 0.885 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.698 -0.197 -0.621 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.472 -1.789 -0.432 1.00 0.00 H new ATOM 0 HG21 VAL A 96 4.027 -0.710 0.920 1.00 0.00 H new ATOM 0 HG22 VAL A 96 4.041 -1.907 -0.397 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.962 -0.394 -0.561 1.00 0.00 H new ATOM 1430 N ARG A 97 4.233 -2.168 -3.125 1.00 0.00 N ATOM 1431 CA ARG A 97 4.542 -3.548 -3.481 1.00 0.00 C ATOM 1432 C ARG A 97 5.945 -3.928 -3.015 1.00 0.00 C ATOM 1433 O ARG A 97 6.696 -3.086 -2.524 1.00 0.00 O ATOM 1434 CB ARG A 97 4.425 -3.746 -4.993 1.00 0.00 C ATOM 1435 CG ARG A 97 5.719 -3.480 -5.745 1.00 0.00 C ATOM 1436 CD ARG A 97 5.602 -3.869 -7.210 1.00 0.00 C ATOM 1437 NE ARG A 97 4.839 -5.101 -7.390 1.00 0.00 N ATOM 1438 CZ ARG A 97 5.339 -6.313 -7.174 1.00 0.00 C ATOM 1439 NH1 ARG A 97 6.595 -6.454 -6.772 1.00 0.00 N ATOM 1440 NH2 ARG A 97 4.582 -7.387 -7.360 1.00 0.00 N ATOM 0 H ARG A 97 4.999 -1.512 -3.275 1.00 0.00 H new ATOM 0 HA ARG A 97 3.823 -4.196 -2.980 1.00 0.00 H new ATOM 0 HB2 ARG A 97 4.102 -4.768 -5.193 1.00 0.00 H new ATOM 0 HB3 ARG A 97 3.649 -3.085 -5.378 1.00 0.00 H new ATOM 0 HG2 ARG A 97 5.976 -2.423 -5.667 1.00 0.00 H new ATOM 0 HG3 ARG A 97 6.532 -4.040 -5.282 1.00 0.00 H new ATOM 0 HD2 ARG A 97 5.122 -3.061 -7.762 1.00 0.00 H new ATOM 0 HD3 ARG A 97 6.599 -3.995 -7.632 1.00 0.00 H new ATOM 0 HE ARG A 97 3.870 -5.027 -7.698 1.00 0.00 H new ATOM 0 HH11 ARG A 97 7.180 -5.631 -6.628 1.00 0.00 H new ATOM 0 HH12 ARG A 97 6.976 -7.386 -6.607 1.00 0.00 H new ATOM 0 HH21 ARG A 97 3.616 -7.282 -7.669 1.00 0.00 H new ATOM 0 HH22 ARG A 97 4.967 -8.317 -7.194 1.00 0.00 H new ATOM 1454 N ALA A 98 6.290 -5.202 -3.172 1.00 0.00 N ATOM 1455 CA ALA A 98 7.602 -5.693 -2.769 1.00 0.00 C ATOM 1456 C ALA A 98 8.469 -6.002 -3.984 1.00 0.00 C ATOM 1457 O ALA A 98 8.180 -6.925 -4.747 1.00 0.00 O ATOM 1458 CB ALA A 98 7.457 -6.928 -1.893 1.00 0.00 C ATOM 0 H ALA A 98 5.679 -5.912 -3.575 1.00 0.00 H new ATOM 0 HA ALA A 98 8.095 -4.909 -2.194 1.00 0.00 H new ATOM 0 HB1 ALA A 98 8.445 -7.284 -1.599 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.882 -6.676 -1.002 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.940 -7.710 -2.449 1.00 0.00 H new ATOM 1464 N HIS A 99 9.533 -5.225 -4.160 1.00 0.00 N ATOM 1465 CA HIS A 99 10.443 -5.417 -5.283 1.00 0.00 C ATOM 1466 C HIS A 99 11.476 -6.495 -4.968 1.00 0.00 C ATOM 1467 O HIS A 99 12.019 -6.546 -3.864 1.00 0.00 O ATOM 1468 CB HIS A 99 11.147 -4.104 -5.626 1.00 0.00 C ATOM 1469 CG HIS A 99 10.327 -3.191 -6.485 1.00 0.00 C ATOM 1470 ND1 HIS A 99 8.981 -2.972 -6.279 1.00 0.00 N ATOM 1471 CD2 HIS A 99 10.670 -2.437 -7.555 1.00 0.00 C ATOM 1472 CE1 HIS A 99 8.531 -2.125 -7.187 1.00 0.00 C ATOM 1473 NE2 HIS A 99 9.537 -1.784 -7.974 1.00 0.00 N ATOM 0 H HIS A 99 9.786 -4.456 -3.539 1.00 0.00 H new ATOM 0 HA HIS A 99 9.856 -5.742 -6.142 1.00 0.00 H new ATOM 0 HB2 HIS A 99 11.403 -3.587 -4.702 1.00 0.00 H new ATOM 0 HB3 HIS A 99 12.084 -4.326 -6.137 1.00 0.00 H new ATOM 0 HD2 HIS A 99 11.652 -2.363 -7.997 1.00 0.00 H new ATOM 0 HE1 HIS A 99 7.514 -1.771 -7.272 1.00 0.00 H new ATOM 0 HE2 HIS A 99 9.481 -1.141 -8.764 1.00 0.00 H new ATOM 1482 N THR A 100 11.743 -7.355 -5.946 1.00 0.00 N ATOM 1483 CA THR A 100 12.709 -8.433 -5.773 1.00 0.00 C ATOM 1484 C THR A 100 13.881 -8.281 -6.735 1.00 0.00 C ATOM 1485 O THR A 100 13.783 -7.580 -7.742 1.00 0.00 O ATOM 1486 CB THR A 100 12.057 -9.812 -5.989 1.00 0.00 C ATOM 1487 OG1 THR A 100 11.086 -9.735 -7.038 1.00 0.00 O ATOM 1488 CG2 THR A 100 11.394 -10.303 -4.711 1.00 0.00 C ATOM 0 H THR A 100 11.304 -7.326 -6.866 1.00 0.00 H new ATOM 0 HA THR A 100 13.074 -8.369 -4.748 1.00 0.00 H new ATOM 0 HB THR A 100 12.838 -10.519 -6.269 1.00 0.00 H new ATOM 0 HG1 THR A 100 10.677 -10.616 -7.171 1.00 0.00 H new ATOM 0 HG21 THR A 100 10.941 -11.278 -4.888 1.00 0.00 H new ATOM 0 HG22 THR A 100 12.142 -10.388 -3.923 1.00 0.00 H new ATOM 0 HG23 THR A 100 10.624 -9.595 -4.405 1.00 0.00 H new ATOM 1496 N ASP A 101 14.989 -8.942 -6.420 1.00 0.00 N ATOM 1497 CA ASP A 101 16.181 -8.882 -7.258 1.00 0.00 C ATOM 1498 C ASP A 101 15.866 -9.330 -8.682 1.00 0.00 C ATOM 1499 O ASP A 101 16.504 -8.889 -9.638 1.00 0.00 O ATOM 1500 CB ASP A 101 17.290 -9.754 -6.669 1.00 0.00 C ATOM 1501 CG ASP A 101 18.668 -9.342 -7.149 1.00 0.00 C ATOM 1502 OD1 ASP A 101 18.766 -8.793 -8.267 1.00 0.00 O ATOM 1503 OD2 ASP A 101 19.647 -9.569 -6.408 1.00 0.00 O ATOM 0 H ASP A 101 15.087 -9.526 -5.590 1.00 0.00 H new ATOM 0 HA ASP A 101 16.522 -7.847 -7.288 1.00 0.00 H new ATOM 0 HB2 ASP A 101 17.255 -9.695 -5.581 1.00 0.00 H new ATOM 0 HB3 ASP A 101 17.111 -10.795 -6.938 1.00 0.00 H new ATOM 1508 N VAL A 102 14.880 -10.211 -8.815 1.00 0.00 N ATOM 1509 CA VAL A 102 14.481 -10.720 -10.122 1.00 0.00 C ATOM 1510 C VAL A 102 13.771 -9.644 -10.937 1.00 0.00 C ATOM 1511 O VAL A 102 13.760 -9.688 -12.167 1.00 0.00 O ATOM 1512 CB VAL A 102 13.554 -11.943 -9.989 1.00 0.00 C ATOM 1513 CG1 VAL A 102 14.264 -13.075 -9.263 1.00 0.00 C ATOM 1514 CG2 VAL A 102 12.268 -11.561 -9.271 1.00 0.00 C ATOM 0 H VAL A 102 14.343 -10.587 -8.034 1.00 0.00 H new ATOM 0 HA VAL A 102 15.394 -11.020 -10.637 1.00 0.00 H new ATOM 0 HB VAL A 102 13.295 -12.291 -10.989 1.00 0.00 H new ATOM 0 HG11 VAL A 102 13.593 -13.930 -9.179 1.00 0.00 H new ATOM 0 HG12 VAL A 102 15.153 -13.365 -9.823 1.00 0.00 H new ATOM 0 HG13 VAL A 102 14.555 -12.742 -8.267 1.00 0.00 H new ATOM 0 HG21 VAL A 102 11.625 -12.437 -9.186 1.00 0.00 H new ATOM 0 HG22 VAL A 102 12.505 -11.186 -8.275 1.00 0.00 H new ATOM 0 HG23 VAL A 102 11.752 -10.786 -9.837 1.00 0.00 H new ATOM 1524 N GLY A 103 13.179 -8.678 -10.243 1.00 0.00 N ATOM 1525 CA GLY A 103 12.475 -7.603 -10.919 1.00 0.00 C ATOM 1526 C GLY A 103 11.197 -7.209 -10.206 1.00 0.00 C ATOM 1527 O GLY A 103 10.650 -7.965 -9.402 1.00 0.00 O ATOM 0 H GLY A 103 13.174 -8.620 -9.225 1.00 0.00 H new ATOM 0 HA2 GLY A 103 13.129 -6.734 -10.992 1.00 0.00 H new ATOM 0 HA3 GLY A 103 12.239 -7.911 -11.937 1.00 0.00 H new ATOM 1531 N PRO A 104 10.701 -5.997 -10.498 1.00 0.00 N ATOM 1532 CA PRO A 104 9.474 -5.476 -9.889 1.00 0.00 C ATOM 1533 C PRO A 104 8.229 -6.210 -10.374 1.00 0.00 C ATOM 1534 O PRO A 104 8.283 -6.978 -11.333 1.00 0.00 O ATOM 1535 CB PRO A 104 9.445 -4.015 -10.345 1.00 0.00 C ATOM 1536 CG PRO A 104 10.233 -3.997 -11.609 1.00 0.00 C ATOM 1537 CD PRO A 104 11.301 -5.043 -11.446 1.00 0.00 C ATOM 0 HA PRO A 104 9.472 -5.599 -8.806 1.00 0.00 H new ATOM 0 HB2 PRO A 104 8.424 -3.672 -10.510 1.00 0.00 H new ATOM 0 HB3 PRO A 104 9.885 -3.357 -9.595 1.00 0.00 H new ATOM 0 HG2 PRO A 104 9.599 -4.217 -12.468 1.00 0.00 H new ATOM 0 HG3 PRO A 104 10.672 -3.014 -11.781 1.00 0.00 H new ATOM 0 HD2 PRO A 104 11.545 -5.519 -12.395 1.00 0.00 H new ATOM 0 HD3 PRO A 104 12.225 -4.616 -11.056 1.00 0.00 H new ATOM 1545 N GLY A 105 7.106 -5.968 -9.704 1.00 0.00 N ATOM 1546 CA GLY A 105 5.863 -6.615 -10.082 1.00 0.00 C ATOM 1547 C GLY A 105 4.686 -5.659 -10.072 1.00 0.00 C ATOM 1548 O GLY A 105 4.847 -4.444 -9.951 1.00 0.00 O ATOM 0 H GLY A 105 7.035 -5.336 -8.907 1.00 0.00 H new ATOM 0 HA2 GLY A 105 5.969 -7.046 -11.078 1.00 0.00 H new ATOM 0 HA3 GLY A 105 5.663 -7.440 -9.398 1.00 0.00 H new ATOM 1552 N PRO A 106 3.470 -6.210 -10.203 1.00 0.00 N ATOM 1553 CA PRO A 106 2.238 -5.415 -10.213 1.00 0.00 C ATOM 1554 C PRO A 106 1.926 -4.813 -8.847 1.00 0.00 C ATOM 1555 O PRO A 106 2.151 -5.445 -7.815 1.00 0.00 O ATOM 1556 CB PRO A 106 1.164 -6.432 -10.608 1.00 0.00 C ATOM 1557 CG PRO A 106 1.714 -7.749 -10.181 1.00 0.00 C ATOM 1558 CD PRO A 106 3.205 -7.650 -10.352 1.00 0.00 C ATOM 0 HA PRO A 106 2.307 -4.563 -10.889 1.00 0.00 H new ATOM 0 HB2 PRO A 106 0.216 -6.219 -10.113 1.00 0.00 H new ATOM 0 HB3 PRO A 106 0.975 -6.411 -11.681 1.00 0.00 H new ATOM 0 HG2 PRO A 106 1.453 -7.963 -9.145 1.00 0.00 H new ATOM 0 HG3 PRO A 106 1.305 -8.558 -10.786 1.00 0.00 H new ATOM 0 HD2 PRO A 106 3.735 -8.236 -9.601 1.00 0.00 H new ATOM 0 HD3 PRO A 106 3.523 -8.018 -11.327 1.00 0.00 H new ATOM 1566 N GLU A 107 1.406 -3.590 -8.849 1.00 0.00 N ATOM 1567 CA GLU A 107 1.064 -2.904 -7.609 1.00 0.00 C ATOM 1568 C GLU A 107 0.101 -3.741 -6.772 1.00 0.00 C ATOM 1569 O GLU A 107 -0.446 -4.736 -7.247 1.00 0.00 O ATOM 1570 CB GLU A 107 0.441 -1.539 -7.910 1.00 0.00 C ATOM 1571 CG GLU A 107 1.454 -0.486 -8.328 1.00 0.00 C ATOM 1572 CD GLU A 107 2.399 -0.981 -9.406 1.00 0.00 C ATOM 1573 OE1 GLU A 107 1.910 -1.475 -10.444 1.00 0.00 O ATOM 1574 OE2 GLU A 107 3.628 -0.875 -9.211 1.00 0.00 O ATOM 0 H GLU A 107 1.212 -3.054 -9.695 1.00 0.00 H new ATOM 0 HA GLU A 107 1.982 -2.759 -7.039 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -0.299 -1.654 -8.702 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -0.091 -1.189 -7.025 1.00 0.00 H new ATOM 0 HG2 GLU A 107 0.927 0.397 -8.690 1.00 0.00 H new ATOM 0 HG3 GLU A 107 2.032 -0.177 -7.457 1.00 0.00 H new ATOM 1581 N SER A 108 -0.100 -3.330 -5.524 1.00 0.00 N ATOM 1582 CA SER A 108 -0.993 -4.044 -4.619 1.00 0.00 C ATOM 1583 C SER A 108 -2.363 -3.375 -4.567 1.00 0.00 C ATOM 1584 O SER A 108 -2.609 -2.385 -5.257 1.00 0.00 O ATOM 1585 CB SER A 108 -0.389 -4.104 -3.215 1.00 0.00 C ATOM 1586 OG SER A 108 -0.407 -2.829 -2.597 1.00 0.00 O ATOM 0 H SER A 108 0.343 -2.507 -5.117 1.00 0.00 H new ATOM 0 HA SER A 108 -1.118 -5.059 -4.997 1.00 0.00 H new ATOM 0 HB2 SER A 108 -0.947 -4.815 -2.606 1.00 0.00 H new ATOM 0 HB3 SER A 108 0.636 -4.469 -3.272 1.00 0.00 H new ATOM 0 HG SER A 108 0.495 -2.445 -2.612 1.00 0.00 H new ATOM 1592 N SER A 109 -3.251 -3.922 -3.744 1.00 0.00 N ATOM 1593 CA SER A 109 -4.598 -3.381 -3.604 1.00 0.00 C ATOM 1594 C SER A 109 -4.555 -1.935 -3.118 1.00 0.00 C ATOM 1595 O SER A 109 -4.160 -1.644 -1.989 1.00 0.00 O ATOM 1596 CB SER A 109 -5.415 -4.234 -2.630 1.00 0.00 C ATOM 1597 OG SER A 109 -6.801 -3.978 -2.767 1.00 0.00 O ATOM 0 H SER A 109 -3.062 -4.739 -3.164 1.00 0.00 H new ATOM 0 HA SER A 109 -5.075 -3.403 -4.584 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.217 -5.290 -2.813 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.103 -4.024 -1.607 1.00 0.00 H new ATOM 0 HG SER A 109 -7.301 -4.536 -2.135 1.00 0.00 H new ATOM 1603 N PRO A 110 -4.972 -1.006 -3.991 1.00 0.00 N ATOM 1604 CA PRO A 110 -4.992 0.425 -3.674 1.00 0.00 C ATOM 1605 C PRO A 110 -6.058 0.776 -2.642 1.00 0.00 C ATOM 1606 O PRO A 110 -7.248 0.552 -2.863 1.00 0.00 O ATOM 1607 CB PRO A 110 -5.314 1.081 -5.019 1.00 0.00 C ATOM 1608 CG PRO A 110 -6.044 0.034 -5.787 1.00 0.00 C ATOM 1609 CD PRO A 110 -5.457 -1.281 -5.354 1.00 0.00 C ATOM 0 HA PRO A 110 -4.052 0.758 -3.235 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -5.925 1.974 -4.888 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.406 1.390 -5.536 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -7.113 0.072 -5.579 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -5.923 0.181 -6.860 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.203 -2.076 -5.362 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -4.648 -1.596 -6.013 1.00 0.00 H new ATOM 1617 N VAL A 111 -5.623 1.328 -1.514 1.00 0.00 N ATOM 1618 CA VAL A 111 -6.541 1.712 -0.447 1.00 0.00 C ATOM 1619 C VAL A 111 -6.900 3.190 -0.537 1.00 0.00 C ATOM 1620 O VAL A 111 -6.024 4.056 -0.524 1.00 0.00 O ATOM 1621 CB VAL A 111 -5.939 1.424 0.941 1.00 0.00 C ATOM 1622 CG1 VAL A 111 -6.900 1.854 2.039 1.00 0.00 C ATOM 1623 CG2 VAL A 111 -5.588 -0.050 1.075 1.00 0.00 C ATOM 0 H VAL A 111 -4.641 1.519 -1.315 1.00 0.00 H new ATOM 0 HA VAL A 111 -7.443 1.114 -0.575 1.00 0.00 H new ATOM 0 HB VAL A 111 -5.021 2.003 1.047 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -6.458 1.643 3.013 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -7.096 2.923 1.953 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -7.836 1.305 1.939 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -5.164 -0.235 2.062 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -6.488 -0.651 0.948 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -4.860 -0.322 0.311 1.00 0.00 H new ATOM 1633 N LEU A 112 -8.195 3.474 -0.628 1.00 0.00 N ATOM 1634 CA LEU A 112 -8.672 4.850 -0.720 1.00 0.00 C ATOM 1635 C LEU A 112 -8.727 5.500 0.659 1.00 0.00 C ATOM 1636 O LEU A 112 -9.478 5.067 1.532 1.00 0.00 O ATOM 1637 CB LEU A 112 -10.057 4.888 -1.369 1.00 0.00 C ATOM 1638 CG LEU A 112 -10.197 4.139 -2.695 1.00 0.00 C ATOM 1639 CD1 LEU A 112 -11.638 4.175 -3.179 1.00 0.00 C ATOM 1640 CD2 LEU A 112 -9.266 4.732 -3.743 1.00 0.00 C ATOM 0 H LEU A 112 -8.933 2.770 -0.640 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.972 5.411 -1.339 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -10.778 4.475 -0.664 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -10.331 5.930 -1.533 1.00 0.00 H new ATOM 0 HG LEU A 112 -9.915 3.098 -2.534 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -11.718 3.637 -4.124 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -12.283 3.704 -2.437 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -11.948 5.210 -3.324 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -9.379 4.187 -4.680 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -9.517 5.781 -3.901 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.235 4.654 -3.400 1.00 0.00 H new ATOM 1652 N VAL A 113 -7.926 6.545 0.847 1.00 0.00 N ATOM 1653 CA VAL A 113 -7.886 7.257 2.118 1.00 0.00 C ATOM 1654 C VAL A 113 -8.101 8.753 1.917 1.00 0.00 C ATOM 1655 O VAL A 113 -7.546 9.352 0.995 1.00 0.00 O ATOM 1656 CB VAL A 113 -6.545 7.036 2.843 1.00 0.00 C ATOM 1657 CG1 VAL A 113 -6.424 5.595 3.314 1.00 0.00 C ATOM 1658 CG2 VAL A 113 -5.382 7.408 1.937 1.00 0.00 C ATOM 0 H VAL A 113 -7.297 6.916 0.135 1.00 0.00 H new ATOM 0 HA VAL A 113 -8.693 6.856 2.731 1.00 0.00 H new ATOM 0 HB VAL A 113 -6.515 7.684 3.719 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -5.470 5.458 3.824 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -7.239 5.367 4.001 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -6.476 4.926 2.455 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.443 7.246 2.466 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.406 6.788 1.041 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.462 8.458 1.654 1.00 0.00 H new ATOM 1668 N ARG A 114 -8.910 9.351 2.785 1.00 0.00 N ATOM 1669 CA ARG A 114 -9.199 10.778 2.702 1.00 0.00 C ATOM 1670 C ARG A 114 -8.542 11.534 3.853 1.00 0.00 C ATOM 1671 O ARG A 114 -8.963 11.423 5.005 1.00 0.00 O ATOM 1672 CB ARG A 114 -10.710 11.015 2.719 1.00 0.00 C ATOM 1673 CG ARG A 114 -11.095 12.480 2.846 1.00 0.00 C ATOM 1674 CD ARG A 114 -12.458 12.644 3.502 1.00 0.00 C ATOM 1675 NE ARG A 114 -13.518 12.006 2.726 1.00 0.00 N ATOM 1676 CZ ARG A 114 -14.141 12.593 1.711 1.00 0.00 C ATOM 1677 NH1 ARG A 114 -13.811 13.825 1.350 1.00 0.00 N ATOM 1678 NH2 ARG A 114 -15.097 11.948 1.054 1.00 0.00 N ATOM 0 H ARG A 114 -9.377 8.870 3.554 1.00 0.00 H new ATOM 0 HA ARG A 114 -8.789 11.152 1.764 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -11.143 10.612 1.803 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -11.147 10.460 3.549 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -10.342 13.005 3.433 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -11.108 12.941 1.858 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -12.433 12.214 4.503 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -12.680 13.705 3.616 1.00 0.00 H new ATOM 0 HE ARG A 114 -13.795 11.057 2.978 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -13.077 14.324 1.852 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -14.291 14.274 0.570 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -15.354 11.000 1.329 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -15.575 12.400 0.275 1.00 0.00 H new ATOM 1692 N THR A 115 -7.505 12.303 3.534 1.00 0.00 N ATOM 1693 CA THR A 115 -6.788 13.075 4.540 1.00 0.00 C ATOM 1694 C THR A 115 -7.750 13.894 5.393 1.00 0.00 C ATOM 1695 O THR A 115 -8.856 14.219 4.960 1.00 0.00 O ATOM 1696 CB THR A 115 -5.760 14.023 3.894 1.00 0.00 C ATOM 1697 OG1 THR A 115 -6.309 14.604 2.706 1.00 0.00 O ATOM 1698 CG2 THR A 115 -4.477 13.278 3.554 1.00 0.00 C ATOM 0 H THR A 115 -7.143 12.407 2.586 1.00 0.00 H new ATOM 0 HA THR A 115 -6.264 12.359 5.173 1.00 0.00 H new ATOM 0 HB THR A 115 -5.526 14.812 4.609 1.00 0.00 H new ATOM 0 HG1 THR A 115 -5.702 15.296 2.369 1.00 0.00 H new ATOM 0 HG21 THR A 115 -3.766 13.967 3.099 1.00 0.00 H new ATOM 0 HG22 THR A 115 -4.046 12.861 4.464 1.00 0.00 H new ATOM 0 HG23 THR A 115 -4.699 12.472 2.855 1.00 0.00 H new ATOM 1706 N ASP A 116 -7.323 14.225 6.607 1.00 0.00 N ATOM 1707 CA ASP A 116 -8.146 15.008 7.521 1.00 0.00 C ATOM 1708 C ASP A 116 -8.648 16.280 6.845 1.00 0.00 C ATOM 1709 O ASP A 116 -8.068 16.743 5.864 1.00 0.00 O ATOM 1710 CB ASP A 116 -7.353 15.363 8.779 1.00 0.00 C ATOM 1711 CG ASP A 116 -8.237 15.486 10.005 1.00 0.00 C ATOM 1712 OD1 ASP A 116 -9.451 15.726 9.839 1.00 0.00 O ATOM 1713 OD2 ASP A 116 -7.714 15.342 11.130 1.00 0.00 O ATOM 0 H ASP A 116 -6.411 13.963 6.981 1.00 0.00 H new ATOM 0 HA ASP A 116 -9.008 14.403 7.804 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -6.596 14.599 8.956 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -6.825 16.303 8.619 1.00 0.00 H new ATOM 1718 N GLU A 117 -9.730 16.840 7.377 1.00 0.00 N ATOM 1719 CA GLU A 117 -10.311 18.057 6.824 1.00 0.00 C ATOM 1720 C GLU A 117 -9.860 19.283 7.614 1.00 0.00 C ATOM 1721 O GLU A 117 -9.690 19.221 8.831 1.00 0.00 O ATOM 1722 CB GLU A 117 -11.838 17.968 6.827 1.00 0.00 C ATOM 1723 CG GLU A 117 -12.474 18.469 8.113 1.00 0.00 C ATOM 1724 CD GLU A 117 -13.848 17.874 8.354 1.00 0.00 C ATOM 1725 OE1 GLU A 117 -14.645 17.811 7.395 1.00 0.00 O ATOM 1726 OE2 GLU A 117 -14.125 17.470 9.503 1.00 0.00 O ATOM 0 H GLU A 117 -10.222 16.470 8.190 1.00 0.00 H new ATOM 0 HA GLU A 117 -9.963 18.160 5.796 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -12.229 18.545 5.989 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -12.134 16.931 6.665 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -11.824 18.226 8.954 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -12.554 19.555 8.075 1.00 0.00 H new