USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 693 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 Single : A 20 ASN : amide:sc= -8.46! C(o=-8.5!,f=-25!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 170:sc= 0.0383 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.0134 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 170:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.113 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -170:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 169:sc=-0.00246 (180deg=-0.0888) USER MOD Single : A 68 CYS SG : rot 180:sc= 0.0219 USER MOD Single : A 69 GLN : amide:sc= -0.0528 X(o=-0.053,f=-0.064) USER MOD Single : A 71 THR OG1 : rot 12:sc= 0.662 USER MOD Single : A 75 TYR OH : rot -136:sc= 0.521 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -165:sc= -0.184 (180deg=-0.434) USER MOD Single : A 79 TYR OH : rot -129:sc= 0.966 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.357 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.348 K(o=-0.35,f=-1.5!) USER MOD Single : A 87 TYR OH : rot 24:sc= 0.469 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 175:sc= 0.637 USER MOD Single : A 97 ASN : amide:sc= -0.0377 X(o=-0.038,f=0) USER MOD Single : A 98 HIS : no HE2:sc= 0.646 K(o=0.65,f=-6.3!) USER MOD Single : A 102 SER OG : rot 77:sc= -1.13 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=-0.0053) USER MOD ----------------------------------------------------------------- ATOM 241 N ASN A 20 2.686 18.460 -1.653 1.00 0.00 N ATOM 242 CA ASN A 20 1.938 18.056 -0.468 1.00 0.00 C ATOM 243 C ASN A 20 1.602 16.568 -0.518 1.00 0.00 C ATOM 244 O ASN A 20 1.130 16.046 -1.528 1.00 0.00 O ATOM 245 CB ASN A 20 0.652 18.876 -0.347 1.00 0.00 C ATOM 246 CG ASN A 20 -0.258 18.365 0.753 1.00 0.00 C ATOM 247 OD1 ASN A 20 -0.114 17.235 1.219 1.00 0.00 O ATOM 248 ND2 ASN A 20 -1.202 19.199 1.174 1.00 0.00 N ATOM 0 HA ASN A 20 2.563 18.241 0.406 1.00 0.00 H new ATOM 0 HB2 ASN A 20 0.906 19.918 -0.150 1.00 0.00 H new ATOM 0 HB3 ASN A 20 0.118 18.852 -1.297 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -1.844 18.911 1.912 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.285 20.127 0.759 1.00 0.00 H new ATOM 255 N PRO A 21 1.851 15.868 0.599 1.00 0.00 N ATOM 256 CA PRO A 21 1.582 14.432 0.709 1.00 0.00 C ATOM 257 C PRO A 21 0.089 14.121 0.729 1.00 0.00 C ATOM 258 O PRO A 21 -0.389 13.275 -0.025 1.00 0.00 O ATOM 259 CB PRO A 21 2.225 14.051 2.045 1.00 0.00 C ATOM 260 CG PRO A 21 2.229 15.314 2.836 1.00 0.00 C ATOM 261 CD PRO A 21 2.413 16.426 1.841 1.00 0.00 C ATOM 0 HA PRO A 21 1.976 13.878 -0.143 1.00 0.00 H new ATOM 0 HB2 PRO A 21 1.657 13.269 2.549 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.236 13.669 1.903 1.00 0.00 H new ATOM 0 HG2 PRO A 21 1.295 15.433 3.386 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.034 15.311 3.571 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.889 17.331 2.148 1.00 0.00 H new ATOM 0 HD3 PRO A 21 3.464 16.690 1.723 1.00 0.00 H new ATOM 269 N ALA A 22 -0.643 14.812 1.598 1.00 0.00 N ATOM 270 CA ALA A 22 -2.082 14.612 1.714 1.00 0.00 C ATOM 271 C ALA A 22 -2.765 14.736 0.356 1.00 0.00 C ATOM 272 O ALA A 22 -3.543 13.867 -0.041 1.00 0.00 O ATOM 273 CB ALA A 22 -2.675 15.608 2.699 1.00 0.00 C ATOM 0 H ALA A 22 -0.262 15.515 2.232 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.255 13.602 2.087 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.750 15.447 2.776 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.216 15.469 3.678 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.484 16.623 2.350 1.00 0.00 H new ATOM 279 N LEU A 23 -2.470 15.820 -0.352 1.00 0.00 N ATOM 280 CA LEU A 23 -3.057 16.059 -1.666 1.00 0.00 C ATOM 281 C LEU A 23 -3.029 14.790 -2.513 1.00 0.00 C ATOM 282 O LEU A 23 -3.976 14.499 -3.244 1.00 0.00 O ATOM 283 CB LEU A 23 -2.307 17.182 -2.385 1.00 0.00 C ATOM 284 CG LEU A 23 -2.584 18.600 -1.885 1.00 0.00 C ATOM 285 CD1 LEU A 23 -1.862 19.621 -2.751 1.00 0.00 C ATOM 286 CD2 LEU A 23 -4.080 18.877 -1.866 1.00 0.00 C ATOM 0 H LEU A 23 -1.828 16.548 -0.039 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.096 16.357 -1.524 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.237 16.990 -2.300 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.555 17.137 -3.445 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.207 18.686 -0.866 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.071 20.625 -2.381 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.788 19.436 -2.713 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.209 19.535 -3.781 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.258 19.891 -1.507 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.482 18.773 -2.874 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.573 18.166 -1.203 1.00 0.00 H new ATOM 298 N VAL A 24 -1.939 14.038 -2.408 1.00 0.00 N ATOM 299 CA VAL A 24 -1.789 12.799 -3.161 1.00 0.00 C ATOM 300 C VAL A 24 -2.962 11.858 -2.910 1.00 0.00 C ATOM 301 O VAL A 24 -3.498 11.799 -1.803 1.00 0.00 O ATOM 302 CB VAL A 24 -0.478 12.076 -2.798 1.00 0.00 C ATOM 303 CG1 VAL A 24 -0.353 10.774 -3.575 1.00 0.00 C ATOM 304 CG2 VAL A 24 0.718 12.979 -3.059 1.00 0.00 C ATOM 0 H VAL A 24 -1.146 14.265 -1.808 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.765 13.071 -4.216 1.00 0.00 H new ATOM 0 HB VAL A 24 -0.498 11.836 -1.735 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.579 10.277 -3.305 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.194 10.124 -3.333 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.355 10.987 -4.644 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.636 12.452 -2.797 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.745 13.252 -4.114 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.632 13.881 -2.453 1.00 0.00 H new ATOM 314 N SER A 25 -3.355 11.122 -3.944 1.00 0.00 N ATOM 315 CA SER A 25 -4.467 10.185 -3.837 1.00 0.00 C ATOM 316 C SER A 25 -4.046 8.788 -4.283 1.00 0.00 C ATOM 317 O SER A 25 -3.094 8.629 -5.046 1.00 0.00 O ATOM 318 CB SER A 25 -5.650 10.666 -4.679 1.00 0.00 C ATOM 319 OG SER A 25 -5.961 12.019 -4.395 1.00 0.00 O ATOM 0 H SER A 25 -2.920 11.156 -4.866 1.00 0.00 H new ATOM 0 HA SER A 25 -4.770 10.138 -2.791 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.415 10.558 -5.738 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.520 10.040 -4.481 1.00 0.00 H new ATOM 0 HG SER A 25 -6.719 12.303 -4.947 1.00 0.00 H new ATOM 325 N ALA A 26 -4.762 7.778 -3.800 1.00 0.00 N ATOM 326 CA ALA A 26 -4.465 6.395 -4.150 1.00 0.00 C ATOM 327 C ALA A 26 -5.746 5.598 -4.376 1.00 0.00 C ATOM 328 O ALA A 26 -6.626 5.563 -3.516 1.00 0.00 O ATOM 329 CB ALA A 26 -3.622 5.745 -3.062 1.00 0.00 C ATOM 0 H ALA A 26 -5.552 7.892 -3.165 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.899 6.395 -5.082 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.407 4.712 -3.336 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.686 6.293 -2.951 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.168 5.764 -2.119 1.00 0.00 H new ATOM 335 N TYR A 27 -5.843 4.961 -5.537 1.00 0.00 N ATOM 336 CA TYR A 27 -7.018 4.167 -5.877 1.00 0.00 C ATOM 337 C TYR A 27 -6.676 3.108 -6.921 1.00 0.00 C ATOM 338 O TYR A 27 -5.737 3.268 -7.700 1.00 0.00 O ATOM 339 CB TYR A 27 -8.136 5.071 -6.398 1.00 0.00 C ATOM 340 CG TYR A 27 -7.724 5.929 -7.573 1.00 0.00 C ATOM 341 CD1 TYR A 27 -7.754 5.428 -8.869 1.00 0.00 C ATOM 342 CD2 TYR A 27 -7.305 7.241 -7.387 1.00 0.00 C ATOM 343 CE1 TYR A 27 -7.378 6.208 -9.945 1.00 0.00 C ATOM 344 CE2 TYR A 27 -6.928 8.029 -8.458 1.00 0.00 C ATOM 345 CZ TYR A 27 -6.966 7.508 -9.734 1.00 0.00 C ATOM 346 OH TYR A 27 -6.591 8.288 -10.804 1.00 0.00 O ATOM 0 H TYR A 27 -5.122 4.979 -6.259 1.00 0.00 H new ATOM 0 HA TYR A 27 -7.359 3.663 -4.973 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -8.985 4.453 -6.690 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.476 5.717 -5.589 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.077 4.411 -9.038 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -7.273 7.652 -6.389 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.406 5.803 -10.946 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -6.606 9.047 -8.296 1.00 0.00 H new ATOM 0 HH TYR A 27 -6.329 9.177 -10.485 1.00 0.00 H new ATOM 356 N GLY A 28 -7.448 2.026 -6.931 1.00 0.00 N ATOM 357 CA GLY A 28 -7.213 0.956 -7.883 1.00 0.00 C ATOM 358 C GLY A 28 -7.990 -0.301 -7.546 1.00 0.00 C ATOM 359 O GLY A 28 -9.058 -0.237 -6.936 1.00 0.00 O ATOM 0 H GLY A 28 -8.232 1.871 -6.297 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -7.491 1.294 -8.881 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.148 0.725 -7.910 1.00 0.00 H new ATOM 363 N THR A 29 -7.454 -1.451 -7.944 1.00 0.00 N ATOM 364 CA THR A 29 -8.104 -2.729 -7.683 1.00 0.00 C ATOM 365 C THR A 29 -7.283 -3.577 -6.718 1.00 0.00 C ATOM 366 O THR A 29 -7.794 -4.522 -6.118 1.00 0.00 O ATOM 367 CB THR A 29 -8.327 -3.522 -8.985 1.00 0.00 C ATOM 368 OG1 THR A 29 -8.628 -2.625 -10.060 1.00 0.00 O ATOM 369 CG2 THR A 29 -9.460 -4.524 -8.821 1.00 0.00 C ATOM 0 H THR A 29 -6.571 -1.523 -8.449 1.00 0.00 H new ATOM 0 HA THR A 29 -9.071 -2.506 -7.232 1.00 0.00 H new ATOM 0 HB THR A 29 -7.411 -4.067 -9.214 1.00 0.00 H new ATOM 0 HG1 THR A 29 -8.767 -3.137 -10.884 1.00 0.00 H new ATOM 0 HG21 THR A 29 -9.599 -5.072 -9.753 1.00 0.00 H new ATOM 0 HG22 THR A 29 -9.214 -5.223 -8.022 1.00 0.00 H new ATOM 0 HG23 THR A 29 -10.380 -3.995 -8.570 1.00 0.00 H new ATOM 377 N GLY A 30 -6.007 -3.232 -6.573 1.00 0.00 N ATOM 378 CA GLY A 30 -5.136 -3.972 -5.679 1.00 0.00 C ATOM 379 C GLY A 30 -5.327 -3.579 -4.228 1.00 0.00 C ATOM 380 O GLY A 30 -5.240 -4.421 -3.332 1.00 0.00 O ATOM 0 H GLY A 30 -5.561 -2.454 -7.059 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.327 -5.039 -5.791 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.098 -3.802 -5.965 1.00 0.00 H new ATOM 384 N LEU A 31 -5.586 -2.298 -3.992 1.00 0.00 N ATOM 385 CA LEU A 31 -5.788 -1.794 -2.638 1.00 0.00 C ATOM 386 C LEU A 31 -7.114 -2.285 -2.067 1.00 0.00 C ATOM 387 O LEU A 31 -7.277 -2.387 -0.852 1.00 0.00 O ATOM 388 CB LEU A 31 -5.750 -0.265 -2.631 1.00 0.00 C ATOM 389 CG LEU A 31 -4.427 0.376 -3.051 1.00 0.00 C ATOM 390 CD1 LEU A 31 -4.601 1.873 -3.256 1.00 0.00 C ATOM 391 CD2 LEU A 31 -3.348 0.100 -2.014 1.00 0.00 C ATOM 0 H LEU A 31 -5.661 -1.589 -4.721 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.981 -2.173 -2.011 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.534 0.101 -3.294 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.995 0.080 -1.626 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.115 -0.066 -3.997 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.649 2.312 -3.555 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.343 2.050 -4.035 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.936 2.331 -2.325 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.413 0.564 -2.329 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.653 0.514 -1.053 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.204 -0.976 -1.916 1.00 0.00 H new ATOM 403 N GLU A 32 -8.058 -2.588 -2.953 1.00 0.00 N ATOM 404 CA GLU A 32 -9.370 -3.069 -2.535 1.00 0.00 C ATOM 405 C GLU A 32 -9.240 -4.316 -1.664 1.00 0.00 C ATOM 406 O GLU A 32 -9.941 -4.462 -0.664 1.00 0.00 O ATOM 407 CB GLU A 32 -10.238 -3.376 -3.758 1.00 0.00 C ATOM 408 CG GLU A 32 -10.619 -2.142 -4.559 1.00 0.00 C ATOM 409 CD GLU A 32 -11.702 -2.423 -5.582 1.00 0.00 C ATOM 410 OE1 GLU A 32 -11.357 -2.802 -6.721 1.00 0.00 O ATOM 411 OE2 GLU A 32 -12.894 -2.264 -5.244 1.00 0.00 O ATOM 0 H GLU A 32 -7.939 -2.509 -3.963 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.847 -2.284 -1.947 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.704 -4.070 -4.407 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.147 -3.881 -3.431 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.961 -1.363 -3.878 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.735 -1.756 -5.067 1.00 0.00 H new ATOM 418 N GLY A 33 -8.339 -5.212 -2.054 1.00 0.00 N ATOM 419 CA GLY A 33 -8.134 -6.434 -1.299 1.00 0.00 C ATOM 420 C GLY A 33 -7.009 -7.281 -1.861 1.00 0.00 C ATOM 421 O GLY A 33 -6.283 -6.847 -2.754 1.00 0.00 O ATOM 0 H GLY A 33 -7.747 -5.114 -2.879 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.913 -6.184 -0.261 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.056 -7.015 -1.297 1.00 0.00 H new ATOM 425 N GLY A 34 -6.864 -8.494 -1.335 1.00 0.00 N ATOM 426 CA GLY A 34 -5.817 -9.384 -1.801 1.00 0.00 C ATOM 427 C GLY A 34 -6.358 -10.534 -2.626 1.00 0.00 C ATOM 428 O GLY A 34 -7.000 -11.441 -2.095 1.00 0.00 O ATOM 0 H GLY A 34 -7.453 -8.876 -0.595 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.102 -8.818 -2.398 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.273 -9.780 -0.944 1.00 0.00 H new ATOM 432 N THR A 35 -6.100 -10.499 -3.929 1.00 0.00 N ATOM 433 CA THR A 35 -6.568 -11.545 -4.830 1.00 0.00 C ATOM 434 C THR A 35 -5.453 -12.534 -5.151 1.00 0.00 C ATOM 435 O THR A 35 -4.528 -12.221 -5.902 1.00 0.00 O ATOM 436 CB THR A 35 -7.108 -10.953 -6.145 1.00 0.00 C ATOM 437 OG1 THR A 35 -6.414 -9.740 -6.458 1.00 0.00 O ATOM 438 CG2 THR A 35 -8.600 -10.677 -6.042 1.00 0.00 C ATOM 0 H THR A 35 -5.569 -9.757 -4.385 1.00 0.00 H new ATOM 0 HA THR A 35 -7.376 -12.067 -4.316 1.00 0.00 H new ATOM 0 HB THR A 35 -6.943 -11.681 -6.940 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.645 -9.456 -7.367 1.00 0.00 H new ATOM 0 HG21 THR A 35 -8.959 -10.259 -6.983 1.00 0.00 H new ATOM 0 HG22 THR A 35 -9.129 -11.607 -5.833 1.00 0.00 H new ATOM 0 HG23 THR A 35 -8.784 -9.966 -5.236 1.00 0.00 H new ATOM 446 N THR A 36 -5.545 -13.729 -4.577 1.00 0.00 N ATOM 447 CA THR A 36 -4.544 -14.764 -4.802 1.00 0.00 C ATOM 448 C THR A 36 -4.753 -15.449 -6.148 1.00 0.00 C ATOM 449 O THR A 36 -5.650 -16.277 -6.302 1.00 0.00 O ATOM 450 CB THR A 36 -4.576 -15.828 -3.688 1.00 0.00 C ATOM 451 OG1 THR A 36 -4.987 -15.231 -2.453 1.00 0.00 O ATOM 452 CG2 THR A 36 -3.208 -16.472 -3.515 1.00 0.00 C ATOM 0 H THR A 36 -6.303 -14.004 -3.952 1.00 0.00 H new ATOM 0 HA THR A 36 -3.572 -14.270 -4.796 1.00 0.00 H new ATOM 0 HB THR A 36 -5.290 -16.600 -3.974 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.007 -15.914 -1.750 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.255 -17.220 -2.723 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.910 -16.950 -4.448 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.477 -15.708 -3.249 1.00 0.00 H new ATOM 460 N GLY A 37 -3.918 -15.097 -7.121 1.00 0.00 N ATOM 461 CA GLY A 37 -4.028 -15.688 -8.442 1.00 0.00 C ATOM 462 C GLY A 37 -4.187 -14.646 -9.532 1.00 0.00 C ATOM 463 O GLY A 37 -3.842 -14.891 -10.688 1.00 0.00 O ATOM 0 H GLY A 37 -3.168 -14.414 -7.018 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.140 -16.288 -8.643 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.882 -16.365 -8.464 1.00 0.00 H new ATOM 467 N ILE A 38 -4.711 -13.482 -9.163 1.00 0.00 N ATOM 468 CA ILE A 38 -4.915 -12.400 -10.119 1.00 0.00 C ATOM 469 C ILE A 38 -3.907 -11.277 -9.901 1.00 0.00 C ATOM 470 O ILE A 38 -3.291 -11.180 -8.839 1.00 0.00 O ATOM 471 CB ILE A 38 -6.339 -11.822 -10.019 1.00 0.00 C ATOM 472 CG1 ILE A 38 -7.374 -12.947 -10.078 1.00 0.00 C ATOM 473 CG2 ILE A 38 -6.581 -10.815 -11.134 1.00 0.00 C ATOM 474 CD1 ILE A 38 -8.756 -12.521 -9.633 1.00 0.00 C ATOM 0 H ILE A 38 -5.002 -13.264 -8.210 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.773 -12.825 -11.112 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.441 -11.309 -9.063 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -7.430 -13.325 -11.099 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -7.038 -13.773 -9.451 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -7.592 -10.415 -11.050 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -5.861 -10.001 -11.052 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -6.464 -11.307 -12.100 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -9.438 -13.369 -9.701 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -8.714 -12.171 -8.602 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -9.113 -11.716 -10.275 1.00 0.00 H new ATOM 486 N GLN A 39 -3.745 -10.430 -10.912 1.00 0.00 N ATOM 487 CA GLN A 39 -2.812 -9.312 -10.830 1.00 0.00 C ATOM 488 C GLN A 39 -3.558 -7.985 -10.747 1.00 0.00 C ATOM 489 O GLN A 39 -4.395 -7.678 -11.596 1.00 0.00 O ATOM 490 CB GLN A 39 -1.878 -9.310 -12.041 1.00 0.00 C ATOM 491 CG GLN A 39 -1.067 -8.032 -12.182 1.00 0.00 C ATOM 492 CD GLN A 39 -0.379 -7.923 -13.529 1.00 0.00 C ATOM 493 OE1 GLN A 39 -0.868 -7.250 -14.436 1.00 0.00 O ATOM 494 NE2 GLN A 39 0.763 -8.587 -13.666 1.00 0.00 N ATOM 0 H GLN A 39 -4.247 -10.496 -11.797 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.220 -9.432 -9.923 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -1.196 -10.157 -11.965 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.469 -9.457 -12.945 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -1.723 -7.173 -12.043 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -0.318 -7.993 -11.391 1.00 0.00 H new ATOM 0 HE21 GLN A 39 1.132 -9.133 -12.887 1.00 0.00 H new ATOM 0 HE22 GLN A 39 1.271 -8.551 -14.550 1.00 0.00 H new ATOM 503 N SER A 40 -3.250 -7.201 -9.718 1.00 0.00 N ATOM 504 CA SER A 40 -3.895 -5.908 -9.522 1.00 0.00 C ATOM 505 C SER A 40 -2.910 -4.768 -9.761 1.00 0.00 C ATOM 506 O SER A 40 -1.697 -4.975 -9.773 1.00 0.00 O ATOM 507 CB SER A 40 -4.471 -5.812 -8.108 1.00 0.00 C ATOM 508 OG SER A 40 -5.322 -6.910 -7.828 1.00 0.00 O ATOM 0 H SER A 40 -2.558 -7.439 -9.008 1.00 0.00 H new ATOM 0 HA SER A 40 -4.707 -5.821 -10.244 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.658 -5.783 -7.382 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.027 -4.881 -8.001 1.00 0.00 H new ATOM 0 HG SER A 40 -5.548 -6.914 -6.874 1.00 0.00 H new ATOM 514 N GLU A 41 -3.442 -3.565 -9.950 1.00 0.00 N ATOM 515 CA GLU A 41 -2.609 -2.391 -10.189 1.00 0.00 C ATOM 516 C GLU A 41 -3.207 -1.155 -9.523 1.00 0.00 C ATOM 517 O GLU A 41 -4.386 -0.850 -9.702 1.00 0.00 O ATOM 518 CB GLU A 41 -2.451 -2.149 -11.692 1.00 0.00 C ATOM 519 CG GLU A 41 -3.738 -2.338 -12.478 1.00 0.00 C ATOM 520 CD GLU A 41 -3.987 -3.788 -12.848 1.00 0.00 C ATOM 521 OE1 GLU A 41 -3.005 -4.504 -13.132 1.00 0.00 O ATOM 522 OE2 GLU A 41 -5.164 -4.205 -12.853 1.00 0.00 O ATOM 0 H GLU A 41 -4.445 -3.377 -9.942 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.628 -2.578 -9.753 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.083 -1.135 -11.852 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.693 -2.828 -12.083 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.577 -1.968 -11.889 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.696 -1.737 -13.386 1.00 0.00 H new ATOM 529 N PHE A 42 -2.385 -0.449 -8.755 1.00 0.00 N ATOM 530 CA PHE A 42 -2.832 0.753 -8.060 1.00 0.00 C ATOM 531 C PHE A 42 -1.965 1.952 -8.435 1.00 0.00 C ATOM 532 O PHE A 42 -0.750 1.939 -8.239 1.00 0.00 O ATOM 533 CB PHE A 42 -2.794 0.536 -6.546 1.00 0.00 C ATOM 534 CG PHE A 42 -1.416 0.639 -5.960 1.00 0.00 C ATOM 535 CD1 PHE A 42 -0.853 1.876 -5.690 1.00 0.00 C ATOM 536 CD2 PHE A 42 -0.682 -0.502 -5.678 1.00 0.00 C ATOM 537 CE1 PHE A 42 0.415 1.974 -5.150 1.00 0.00 C ATOM 538 CE2 PHE A 42 0.587 -0.410 -5.137 1.00 0.00 C ATOM 539 CZ PHE A 42 1.137 0.830 -4.874 1.00 0.00 C ATOM 0 H PHE A 42 -1.406 -0.688 -8.598 1.00 0.00 H new ATOM 0 HA PHE A 42 -3.858 0.959 -8.365 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -3.440 1.271 -6.065 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.205 -0.448 -6.318 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -1.412 2.775 -5.904 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.106 -1.474 -5.883 1.00 0.00 H new ATOM 0 HE1 PHE A 42 0.841 2.945 -4.944 1.00 0.00 H new ATOM 0 HE2 PHE A 42 1.148 -1.307 -4.920 1.00 0.00 H new ATOM 0 HZ PHE A 42 2.129 0.904 -4.454 1.00 0.00 H new ATOM 549 N PHE A 43 -2.599 2.986 -8.977 1.00 0.00 N ATOM 550 CA PHE A 43 -1.887 4.193 -9.382 1.00 0.00 C ATOM 551 C PHE A 43 -1.962 5.260 -8.293 1.00 0.00 C ATOM 552 O PHE A 43 -2.875 5.255 -7.467 1.00 0.00 O ATOM 553 CB PHE A 43 -2.467 4.739 -10.688 1.00 0.00 C ATOM 554 CG PHE A 43 -2.972 3.670 -11.613 1.00 0.00 C ATOM 555 CD1 PHE A 43 -4.217 3.094 -11.414 1.00 0.00 C ATOM 556 CD2 PHE A 43 -2.203 3.240 -12.683 1.00 0.00 C ATOM 557 CE1 PHE A 43 -4.684 2.109 -12.264 1.00 0.00 C ATOM 558 CE2 PHE A 43 -2.665 2.256 -13.536 1.00 0.00 C ATOM 559 CZ PHE A 43 -3.907 1.690 -13.327 1.00 0.00 C ATOM 0 H PHE A 43 -3.605 3.013 -9.146 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.840 3.932 -9.539 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -3.284 5.423 -10.456 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.701 5.320 -11.201 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.829 3.418 -10.585 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.231 3.679 -12.852 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -5.655 1.667 -12.097 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.055 1.930 -14.366 1.00 0.00 H new ATOM 0 HZ PHE A 43 -4.270 0.921 -13.993 1.00 0.00 H new ATOM 569 N ILE A 44 -0.995 6.171 -8.299 1.00 0.00 N ATOM 570 CA ILE A 44 -0.951 7.243 -7.313 1.00 0.00 C ATOM 571 C ILE A 44 -1.080 8.609 -7.980 1.00 0.00 C ATOM 572 O ILE A 44 -0.146 9.089 -8.619 1.00 0.00 O ATOM 573 CB ILE A 44 0.354 7.205 -6.497 1.00 0.00 C ATOM 574 CG1 ILE A 44 0.675 5.770 -6.073 1.00 0.00 C ATOM 575 CG2 ILE A 44 0.245 8.110 -5.279 1.00 0.00 C ATOM 576 CD1 ILE A 44 2.062 5.607 -5.492 1.00 0.00 C ATOM 0 H ILE A 44 -0.232 6.188 -8.976 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.795 7.088 -6.641 1.00 0.00 H new ATOM 0 HB ILE A 44 1.167 7.570 -7.125 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.059 5.445 -5.336 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.572 5.113 -6.937 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.176 8.072 -4.713 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.059 9.134 -5.602 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.578 7.773 -4.648 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.220 4.565 -5.214 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.804 5.901 -6.234 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.163 6.238 -4.609 1.00 0.00 H new ATOM 588 N ASN A 45 -2.245 9.229 -7.824 1.00 0.00 N ATOM 589 CA ASN A 45 -2.497 10.541 -8.410 1.00 0.00 C ATOM 590 C ASN A 45 -1.565 11.591 -7.814 1.00 0.00 C ATOM 591 O ASN A 45 -1.931 12.304 -6.879 1.00 0.00 O ATOM 592 CB ASN A 45 -3.954 10.951 -8.187 1.00 0.00 C ATOM 593 CG ASN A 45 -4.428 11.975 -9.200 1.00 0.00 C ATOM 594 OD1 ASN A 45 -4.515 13.166 -8.901 1.00 0.00 O ATOM 595 ND2 ASN A 45 -4.737 11.515 -10.407 1.00 0.00 N ATOM 0 H ASN A 45 -3.029 8.845 -7.297 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.305 10.476 -9.481 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.590 10.067 -8.243 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -4.064 11.360 -7.183 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.061 12.157 -11.130 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.650 10.519 -10.611 1.00 0.00 H new ATOM 602 N THR A 46 -0.357 11.682 -8.362 1.00 0.00 N ATOM 603 CA THR A 46 0.628 12.644 -7.885 1.00 0.00 C ATOM 604 C THR A 46 0.794 13.795 -8.870 1.00 0.00 C ATOM 605 O THR A 46 1.892 14.325 -9.044 1.00 0.00 O ATOM 606 CB THR A 46 1.998 11.978 -7.656 1.00 0.00 C ATOM 607 OG1 THR A 46 2.464 11.383 -8.873 1.00 0.00 O ATOM 608 CG2 THR A 46 1.910 10.918 -6.569 1.00 0.00 C ATOM 0 H THR A 46 -0.038 11.101 -9.137 1.00 0.00 H new ATOM 0 HA THR A 46 0.257 13.032 -6.936 1.00 0.00 H new ATOM 0 HB THR A 46 2.701 12.747 -7.336 1.00 0.00 H new ATOM 0 HG1 THR A 46 3.336 10.963 -8.719 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.890 10.462 -6.425 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.584 11.379 -5.637 1.00 0.00 H new ATOM 0 HG23 THR A 46 1.193 10.152 -6.865 1.00 0.00 H new ATOM 616 N THR A 47 -0.303 14.180 -9.515 1.00 0.00 N ATOM 617 CA THR A 47 -0.279 15.269 -10.483 1.00 0.00 C ATOM 618 C THR A 47 -0.442 16.620 -9.795 1.00 0.00 C ATOM 619 O THR A 47 0.320 17.552 -10.051 1.00 0.00 O ATOM 620 CB THR A 47 -1.389 15.106 -11.539 1.00 0.00 C ATOM 621 OG1 THR A 47 -2.675 15.149 -10.909 1.00 0.00 O ATOM 622 CG2 THR A 47 -1.231 13.795 -12.293 1.00 0.00 C ATOM 0 H THR A 47 -1.220 13.753 -9.384 1.00 0.00 H new ATOM 0 HA THR A 47 0.692 15.231 -10.978 1.00 0.00 H new ATOM 0 HB THR A 47 -1.306 15.927 -12.251 1.00 0.00 H new ATOM 0 HG1 THR A 47 -3.375 15.046 -11.587 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.026 13.703 -13.033 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.264 13.779 -12.796 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.290 12.963 -11.592 1.00 0.00 H new ATOM 630 N ARG A 48 -1.438 16.718 -8.922 1.00 0.00 N ATOM 631 CA ARG A 48 -1.700 17.956 -8.198 1.00 0.00 C ATOM 632 C ARG A 48 -0.736 18.115 -7.026 1.00 0.00 C ATOM 633 O ARG A 48 -0.564 19.211 -6.495 1.00 0.00 O ATOM 634 CB ARG A 48 -3.143 17.980 -7.691 1.00 0.00 C ATOM 635 CG ARG A 48 -4.175 18.113 -8.799 1.00 0.00 C ATOM 636 CD ARG A 48 -5.506 18.617 -8.263 1.00 0.00 C ATOM 637 NE ARG A 48 -6.469 18.864 -9.333 1.00 0.00 N ATOM 638 CZ ARG A 48 -7.181 17.906 -9.916 1.00 0.00 C ATOM 639 NH1 ARG A 48 -7.039 16.644 -9.534 1.00 0.00 N ATOM 640 NH2 ARG A 48 -8.037 18.209 -10.883 1.00 0.00 N ATOM 0 H ARG A 48 -2.077 15.955 -8.698 1.00 0.00 H new ATOM 0 HA ARG A 48 -1.550 18.788 -8.886 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -3.338 17.065 -7.132 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.261 18.810 -6.995 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -3.805 18.799 -9.562 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -4.319 17.146 -9.282 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.917 17.885 -7.567 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -5.345 19.537 -7.700 1.00 0.00 H new ATOM 0 HE ARG A 48 -6.602 19.824 -9.650 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -6.382 16.407 -8.791 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -7.587 15.910 -9.983 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -8.149 19.178 -11.180 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -8.583 17.473 -11.330 1.00 0.00 H new ATOM 654 N ALA A 49 -0.109 17.012 -6.628 1.00 0.00 N ATOM 655 CA ALA A 49 0.839 17.029 -5.521 1.00 0.00 C ATOM 656 C ALA A 49 2.233 17.419 -5.998 1.00 0.00 C ATOM 657 O ALA A 49 2.934 18.185 -5.338 1.00 0.00 O ATOM 658 CB ALA A 49 0.873 15.672 -4.835 1.00 0.00 C ATOM 0 H ALA A 49 -0.241 16.096 -7.056 1.00 0.00 H new ATOM 0 HA ALA A 49 0.508 17.778 -4.802 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.585 15.699 -4.010 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.119 15.434 -4.451 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.177 14.909 -5.552 1.00 0.00 H new ATOM 664 N GLY A 50 2.631 16.886 -7.149 1.00 0.00 N ATOM 665 CA GLY A 50 3.941 17.189 -7.695 1.00 0.00 C ATOM 666 C GLY A 50 4.896 16.016 -7.596 1.00 0.00 C ATOM 667 O GLY A 50 4.754 15.143 -6.740 1.00 0.00 O ATOM 0 H GLY A 50 2.069 16.249 -7.714 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.837 17.482 -8.740 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.363 18.043 -7.165 1.00 0.00 H new ATOM 671 N PRO A 51 5.895 15.984 -8.491 1.00 0.00 N ATOM 672 CA PRO A 51 6.895 14.914 -8.523 1.00 0.00 C ATOM 673 C PRO A 51 7.838 14.966 -7.325 1.00 0.00 C ATOM 674 O PRO A 51 7.984 16.005 -6.683 1.00 0.00 O ATOM 675 CB PRO A 51 7.662 15.183 -9.820 1.00 0.00 C ATOM 676 CG PRO A 51 7.489 16.643 -10.066 1.00 0.00 C ATOM 677 CD PRO A 51 6.124 16.992 -9.540 1.00 0.00 C ATOM 0 HA PRO A 51 6.436 13.926 -8.481 1.00 0.00 H new ATOM 0 HB2 PRO A 51 8.715 14.920 -9.719 1.00 0.00 H new ATOM 0 HB3 PRO A 51 7.264 14.592 -10.645 1.00 0.00 H new ATOM 0 HG2 PRO A 51 8.262 17.219 -9.558 1.00 0.00 H new ATOM 0 HG3 PRO A 51 7.568 16.872 -11.129 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.095 18.005 -9.138 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.366 16.938 -10.322 1.00 0.00 H new ATOM 685 N GLY A 52 8.477 13.837 -7.031 1.00 0.00 N ATOM 686 CA GLY A 52 9.398 13.777 -5.911 1.00 0.00 C ATOM 687 C GLY A 52 9.814 12.358 -5.579 1.00 0.00 C ATOM 688 O GLY A 52 9.554 11.430 -6.346 1.00 0.00 O ATOM 0 H GLY A 52 8.373 12.964 -7.548 1.00 0.00 H new ATOM 0 HA2 GLY A 52 10.284 14.368 -6.141 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.932 14.230 -5.036 1.00 0.00 H new ATOM 692 N THR A 53 10.463 12.186 -4.431 1.00 0.00 N ATOM 693 CA THR A 53 10.918 10.871 -4.000 1.00 0.00 C ATOM 694 C THR A 53 9.742 9.981 -3.613 1.00 0.00 C ATOM 695 O THR A 53 8.779 10.440 -2.997 1.00 0.00 O ATOM 696 CB THR A 53 11.883 10.974 -2.803 1.00 0.00 C ATOM 697 OG1 THR A 53 12.866 11.985 -3.053 1.00 0.00 O ATOM 698 CG2 THR A 53 12.572 9.643 -2.547 1.00 0.00 C ATOM 0 H THR A 53 10.685 12.942 -3.783 1.00 0.00 H new ATOM 0 HA THR A 53 11.444 10.427 -4.845 1.00 0.00 H new ATOM 0 HB THR A 53 11.304 11.241 -1.919 1.00 0.00 H new ATOM 0 HG1 THR A 53 13.475 12.046 -2.287 1.00 0.00 H new ATOM 0 HG21 THR A 53 13.248 9.741 -1.698 1.00 0.00 H new ATOM 0 HG22 THR A 53 11.823 8.882 -2.329 1.00 0.00 H new ATOM 0 HG23 THR A 53 13.140 9.351 -3.431 1.00 0.00 H new ATOM 706 N LEU A 54 9.825 8.707 -3.979 1.00 0.00 N ATOM 707 CA LEU A 54 8.767 7.751 -3.670 1.00 0.00 C ATOM 708 C LEU A 54 9.339 6.497 -3.017 1.00 0.00 C ATOM 709 O LEU A 54 10.228 5.849 -3.569 1.00 0.00 O ATOM 710 CB LEU A 54 8.004 7.376 -4.941 1.00 0.00 C ATOM 711 CG LEU A 54 6.693 6.615 -4.738 1.00 0.00 C ATOM 712 CD1 LEU A 54 5.584 7.567 -4.318 1.00 0.00 C ATOM 713 CD2 LEU A 54 6.307 5.870 -6.007 1.00 0.00 C ATOM 0 H LEU A 54 10.614 8.312 -4.490 1.00 0.00 H new ATOM 0 HA LEU A 54 8.080 8.222 -2.967 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.788 8.290 -5.494 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.659 6.771 -5.568 1.00 0.00 H new ATOM 0 HG LEU A 54 6.838 5.885 -3.942 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.659 7.008 -4.178 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.858 8.055 -3.383 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.439 8.321 -5.092 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.372 5.334 -5.844 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.180 6.582 -6.823 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.092 5.159 -6.265 1.00 0.00 H new ATOM 725 N SER A 55 8.821 6.159 -1.841 1.00 0.00 N ATOM 726 CA SER A 55 9.282 4.983 -1.112 1.00 0.00 C ATOM 727 C SER A 55 8.140 3.994 -0.900 1.00 0.00 C ATOM 728 O SER A 55 7.179 4.280 -0.185 1.00 0.00 O ATOM 729 CB SER A 55 9.874 5.392 0.238 1.00 0.00 C ATOM 730 OG SER A 55 10.706 4.371 0.761 1.00 0.00 O ATOM 0 H SER A 55 8.082 6.683 -1.372 1.00 0.00 H new ATOM 0 HA SER A 55 10.055 4.498 -1.707 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.449 6.311 0.123 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.069 5.606 0.942 1.00 0.00 H new ATOM 0 HG SER A 55 11.073 4.658 1.623 1.00 0.00 H new ATOM 736 N VAL A 56 8.252 2.827 -1.527 1.00 0.00 N ATOM 737 CA VAL A 56 7.230 1.794 -1.407 1.00 0.00 C ATOM 738 C VAL A 56 7.797 0.532 -0.765 1.00 0.00 C ATOM 739 O VAL A 56 8.769 -0.044 -1.254 1.00 0.00 O ATOM 740 CB VAL A 56 6.633 1.433 -2.780 1.00 0.00 C ATOM 741 CG1 VAL A 56 5.597 0.328 -2.639 1.00 0.00 C ATOM 742 CG2 VAL A 56 6.024 2.664 -3.436 1.00 0.00 C ATOM 0 H VAL A 56 9.040 2.574 -2.123 1.00 0.00 H new ATOM 0 HA VAL A 56 6.443 2.200 -0.772 1.00 0.00 H new ATOM 0 HB VAL A 56 7.435 1.066 -3.420 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.187 0.087 -3.620 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.067 -0.559 -2.214 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.794 0.663 -1.982 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.607 2.391 -4.405 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.233 3.062 -2.800 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.795 3.422 -3.573 1.00 0.00 H new ATOM 752 N THR A 57 7.182 0.107 0.334 1.00 0.00 N ATOM 753 CA THR A 57 7.625 -1.086 1.045 1.00 0.00 C ATOM 754 C THR A 57 6.439 -1.937 1.484 1.00 0.00 C ATOM 755 O THR A 57 5.633 -1.513 2.312 1.00 0.00 O ATOM 756 CB THR A 57 8.468 -0.722 2.282 1.00 0.00 C ATOM 757 OG1 THR A 57 9.507 0.192 1.916 1.00 0.00 O ATOM 758 CG2 THR A 57 9.078 -1.968 2.906 1.00 0.00 C ATOM 0 H THR A 57 6.375 0.571 0.751 1.00 0.00 H new ATOM 0 HA THR A 57 8.241 -1.658 0.350 1.00 0.00 H new ATOM 0 HB THR A 57 7.813 -0.251 3.015 1.00 0.00 H new ATOM 0 HG1 THR A 57 10.037 0.419 2.708 1.00 0.00 H new ATOM 0 HG21 THR A 57 9.669 -1.686 3.778 1.00 0.00 H new ATOM 0 HG22 THR A 57 8.283 -2.649 3.211 1.00 0.00 H new ATOM 0 HG23 THR A 57 9.720 -2.463 2.177 1.00 0.00 H new ATOM 766 N ILE A 58 6.340 -3.138 0.924 1.00 0.00 N ATOM 767 CA ILE A 58 5.252 -4.048 1.261 1.00 0.00 C ATOM 768 C ILE A 58 5.713 -5.113 2.250 1.00 0.00 C ATOM 769 O ILE A 58 6.844 -5.591 2.180 1.00 0.00 O ATOM 770 CB ILE A 58 4.689 -4.740 0.005 1.00 0.00 C ATOM 771 CG1 ILE A 58 4.368 -3.704 -1.074 1.00 0.00 C ATOM 772 CG2 ILE A 58 3.449 -5.548 0.357 1.00 0.00 C ATOM 773 CD1 ILE A 58 4.345 -4.277 -2.474 1.00 0.00 C ATOM 0 H ILE A 58 6.999 -3.503 0.236 1.00 0.00 H new ATOM 0 HA ILE A 58 4.467 -3.446 1.718 1.00 0.00 H new ATOM 0 HB ILE A 58 5.444 -5.422 -0.386 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.399 -3.255 -0.858 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.107 -2.904 -1.030 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.063 -6.031 -0.540 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.707 -6.307 1.095 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.688 -4.885 0.769 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.111 -3.486 -3.187 1.00 0.00 H new ATOM 0 HD12 ILE A 58 5.321 -4.701 -2.710 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.586 -5.057 -2.535 1.00 0.00 H new ATOM 785 N GLU A 59 4.827 -5.480 3.171 1.00 0.00 N ATOM 786 CA GLU A 59 5.143 -6.490 4.175 1.00 0.00 C ATOM 787 C GLU A 59 4.109 -7.612 4.162 1.00 0.00 C ATOM 788 O GLU A 59 2.934 -7.385 3.878 1.00 0.00 O ATOM 789 CB GLU A 59 5.207 -5.855 5.566 1.00 0.00 C ATOM 790 CG GLU A 59 6.432 -4.983 5.781 1.00 0.00 C ATOM 791 CD GLU A 59 6.285 -4.055 6.971 1.00 0.00 C ATOM 792 OE1 GLU A 59 5.695 -4.481 7.986 1.00 0.00 O ATOM 793 OE2 GLU A 59 6.760 -2.903 6.888 1.00 0.00 O ATOM 0 H GLU A 59 3.886 -5.094 3.243 1.00 0.00 H new ATOM 0 HA GLU A 59 6.117 -6.915 3.933 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.311 -5.254 5.723 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.197 -6.645 6.317 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.305 -5.619 5.926 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.614 -4.391 4.884 1.00 0.00 H new ATOM 800 N GLY A 60 4.556 -8.825 4.472 1.00 0.00 N ATOM 801 CA GLY A 60 3.658 -9.965 4.491 1.00 0.00 C ATOM 802 C GLY A 60 4.389 -11.275 4.709 1.00 0.00 C ATOM 803 O GLY A 60 5.616 -11.319 4.797 1.00 0.00 O ATOM 0 H GLY A 60 5.524 -9.039 4.710 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.919 -9.829 5.281 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.112 -10.009 3.549 1.00 0.00 H new ATOM 807 N PRO A 61 3.626 -12.374 4.803 1.00 0.00 N ATOM 808 CA PRO A 61 4.187 -13.711 5.015 1.00 0.00 C ATOM 809 C PRO A 61 4.945 -14.222 3.795 1.00 0.00 C ATOM 810 O PRO A 61 5.951 -14.919 3.924 1.00 0.00 O ATOM 811 CB PRO A 61 2.951 -14.576 5.278 1.00 0.00 C ATOM 812 CG PRO A 61 1.836 -13.861 4.598 1.00 0.00 C ATOM 813 CD PRO A 61 2.156 -12.395 4.707 1.00 0.00 C ATOM 0 HA PRO A 61 4.914 -13.724 5.827 1.00 0.00 H new ATOM 0 HB2 PRO A 61 3.079 -15.582 4.877 1.00 0.00 H new ATOM 0 HB3 PRO A 61 2.761 -14.680 6.346 1.00 0.00 H new ATOM 0 HG2 PRO A 61 1.755 -14.166 3.555 1.00 0.00 H new ATOM 0 HG3 PRO A 61 0.881 -14.088 5.071 1.00 0.00 H new ATOM 0 HD2 PRO A 61 1.802 -11.840 3.838 1.00 0.00 H new ATOM 0 HD3 PRO A 61 1.689 -11.946 5.584 1.00 0.00 H new ATOM 821 N SER A 62 4.456 -13.871 2.610 1.00 0.00 N ATOM 822 CA SER A 62 5.086 -14.297 1.366 1.00 0.00 C ATOM 823 C SER A 62 5.569 -13.094 0.561 1.00 0.00 C ATOM 824 O SER A 62 4.925 -12.044 0.544 1.00 0.00 O ATOM 825 CB SER A 62 4.107 -15.124 0.531 1.00 0.00 C ATOM 826 OG SER A 62 3.887 -16.396 1.115 1.00 0.00 O ATOM 0 H SER A 62 3.625 -13.293 2.485 1.00 0.00 H new ATOM 0 HA SER A 62 5.949 -14.914 1.618 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.160 -14.592 0.443 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.499 -15.247 -0.479 1.00 0.00 H new ATOM 0 HG SER A 62 3.388 -16.961 0.489 1.00 0.00 H new ATOM 832 N LYS A 63 6.707 -13.253 -0.106 1.00 0.00 N ATOM 833 CA LYS A 63 7.277 -12.183 -0.914 1.00 0.00 C ATOM 834 C LYS A 63 6.597 -12.109 -2.278 1.00 0.00 C ATOM 835 O LYS A 63 6.860 -12.929 -3.158 1.00 0.00 O ATOM 836 CB LYS A 63 8.782 -12.397 -1.094 1.00 0.00 C ATOM 837 CG LYS A 63 9.585 -12.165 0.174 1.00 0.00 C ATOM 838 CD LYS A 63 10.028 -10.717 0.297 1.00 0.00 C ATOM 839 CE LYS A 63 10.637 -10.434 1.661 1.00 0.00 C ATOM 840 NZ LYS A 63 9.610 -9.998 2.648 1.00 0.00 N ATOM 0 H LYS A 63 7.253 -14.114 -0.102 1.00 0.00 H new ATOM 0 HA LYS A 63 7.110 -11.241 -0.392 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.957 -13.415 -1.444 1.00 0.00 H new ATOM 0 HB3 LYS A 63 9.145 -11.726 -1.872 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.984 -12.437 1.041 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.460 -12.815 0.176 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.756 -10.491 -0.482 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.174 -10.059 0.135 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.136 -11.330 2.029 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.399 -9.661 1.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.065 -9.815 3.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.151 -9.128 2.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.896 -10.746 2.759 1.00 0.00 H new ATOM 854 N VAL A 64 5.723 -11.122 -2.446 1.00 0.00 N ATOM 855 CA VAL A 64 5.008 -10.940 -3.703 1.00 0.00 C ATOM 856 C VAL A 64 5.943 -10.448 -4.802 1.00 0.00 C ATOM 857 O VAL A 64 7.030 -9.940 -4.526 1.00 0.00 O ATOM 858 CB VAL A 64 3.845 -9.942 -3.549 1.00 0.00 C ATOM 859 CG1 VAL A 64 2.714 -10.560 -2.742 1.00 0.00 C ATOM 860 CG2 VAL A 64 4.332 -8.655 -2.900 1.00 0.00 C ATOM 0 H VAL A 64 5.493 -10.436 -1.727 1.00 0.00 H new ATOM 0 HA VAL A 64 4.606 -11.914 -3.981 1.00 0.00 H new ATOM 0 HB VAL A 64 3.462 -9.701 -4.540 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.902 -9.840 -2.644 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.349 -11.452 -3.251 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.080 -10.832 -1.752 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.498 -7.961 -2.798 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.742 -8.877 -1.915 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.106 -8.204 -3.521 1.00 0.00 H new ATOM 870 N LYS A 65 5.514 -10.602 -6.050 1.00 0.00 N ATOM 871 CA LYS A 65 6.311 -10.172 -7.192 1.00 0.00 C ATOM 872 C LYS A 65 6.060 -8.701 -7.509 1.00 0.00 C ATOM 873 O LYS A 65 5.084 -8.358 -8.175 1.00 0.00 O ATOM 874 CB LYS A 65 5.988 -11.030 -8.418 1.00 0.00 C ATOM 875 CG LYS A 65 6.662 -12.391 -8.401 1.00 0.00 C ATOM 876 CD LYS A 65 6.155 -13.278 -9.527 1.00 0.00 C ATOM 877 CE LYS A 65 6.739 -14.680 -9.438 1.00 0.00 C ATOM 878 NZ LYS A 65 8.138 -14.731 -9.947 1.00 0.00 N ATOM 0 H LYS A 65 4.618 -11.022 -6.296 1.00 0.00 H new ATOM 0 HA LYS A 65 7.363 -10.296 -6.935 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.909 -11.169 -8.480 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.293 -10.494 -9.317 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.741 -12.265 -8.493 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.479 -12.877 -7.443 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.067 -13.333 -9.487 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.417 -12.834 -10.487 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.717 -15.018 -8.402 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.119 -15.369 -10.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.500 -15.703 -9.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.156 -14.433 -10.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.736 -14.093 -9.384 1.00 0.00 H new ATOM 892 N MET A 66 6.947 -7.837 -7.027 1.00 0.00 N ATOM 893 CA MET A 66 6.822 -6.403 -7.261 1.00 0.00 C ATOM 894 C MET A 66 7.421 -6.018 -8.611 1.00 0.00 C ATOM 895 O MET A 66 8.589 -6.294 -8.883 1.00 0.00 O ATOM 896 CB MET A 66 7.512 -5.620 -6.142 1.00 0.00 C ATOM 897 CG MET A 66 6.614 -5.352 -4.945 1.00 0.00 C ATOM 898 SD MET A 66 7.544 -4.922 -3.462 1.00 0.00 S ATOM 899 CE MET A 66 7.492 -3.134 -3.535 1.00 0.00 C ATOM 0 H MET A 66 7.760 -8.105 -6.472 1.00 0.00 H new ATOM 0 HA MET A 66 5.761 -6.153 -7.269 1.00 0.00 H new ATOM 0 HB2 MET A 66 8.390 -6.174 -5.810 1.00 0.00 H new ATOM 0 HB3 MET A 66 7.866 -4.669 -6.540 1.00 0.00 H new ATOM 0 HG2 MET A 66 5.926 -4.541 -5.186 1.00 0.00 H new ATOM 0 HG3 MET A 66 6.008 -6.236 -4.746 1.00 0.00 H new ATOM 0 HE1 MET A 66 7.851 -2.721 -2.592 1.00 0.00 H new ATOM 0 HE2 MET A 66 8.126 -2.785 -4.350 1.00 0.00 H new ATOM 0 HE3 MET A 66 6.467 -2.807 -3.708 1.00 0.00 H new ATOM 909 N ASP A 67 6.613 -5.381 -9.451 1.00 0.00 N ATOM 910 CA ASP A 67 7.063 -4.958 -10.771 1.00 0.00 C ATOM 911 C ASP A 67 6.989 -3.440 -10.911 1.00 0.00 C ATOM 912 O ASP A 67 5.903 -2.860 -10.922 1.00 0.00 O ATOM 913 CB ASP A 67 6.218 -5.624 -11.859 1.00 0.00 C ATOM 914 CG ASP A 67 6.454 -7.119 -11.940 1.00 0.00 C ATOM 915 OD1 ASP A 67 7.617 -7.527 -12.141 1.00 0.00 O ATOM 916 OD2 ASP A 67 5.474 -7.881 -11.802 1.00 0.00 O ATOM 0 H ASP A 67 5.643 -5.146 -9.241 1.00 0.00 H new ATOM 0 HA ASP A 67 8.102 -5.265 -10.889 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.163 -5.436 -11.662 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.448 -5.170 -12.823 1.00 0.00 H new ATOM 921 N CYS A 68 8.150 -2.804 -11.015 1.00 0.00 N ATOM 922 CA CYS A 68 8.218 -1.353 -11.151 1.00 0.00 C ATOM 923 C CYS A 68 7.904 -0.926 -12.582 1.00 0.00 C ATOM 924 O CYS A 68 8.173 -1.662 -13.531 1.00 0.00 O ATOM 925 CB CYS A 68 9.602 -0.846 -10.746 1.00 0.00 C ATOM 926 SG CYS A 68 10.953 -1.500 -11.756 1.00 0.00 S ATOM 0 H CYS A 68 9.057 -3.270 -11.008 1.00 0.00 H new ATOM 0 HA CYS A 68 7.471 -0.915 -10.488 1.00 0.00 H new ATOM 0 HB2 CYS A 68 9.611 0.242 -10.807 1.00 0.00 H new ATOM 0 HB3 CYS A 68 9.782 -1.108 -9.703 1.00 0.00 H new ATOM 0 HG CYS A 68 12.083 -1.012 -11.338 1.00 0.00 H new ATOM 932 N GLN A 69 7.333 0.265 -12.727 1.00 0.00 N ATOM 933 CA GLN A 69 6.981 0.788 -14.041 1.00 0.00 C ATOM 934 C GLN A 69 6.571 2.254 -13.952 1.00 0.00 C ATOM 935 O GLN A 69 5.537 2.584 -13.373 1.00 0.00 O ATOM 936 CB GLN A 69 5.846 -0.035 -14.654 1.00 0.00 C ATOM 937 CG GLN A 69 5.582 0.287 -16.116 1.00 0.00 C ATOM 938 CD GLN A 69 6.705 -0.169 -17.026 1.00 0.00 C ATOM 939 OE1 GLN A 69 7.080 -1.341 -17.029 1.00 0.00 O ATOM 940 NE2 GLN A 69 7.249 0.759 -17.806 1.00 0.00 N ATOM 0 H GLN A 69 7.104 0.886 -11.951 1.00 0.00 H new ATOM 0 HA GLN A 69 7.860 0.714 -14.681 1.00 0.00 H new ATOM 0 HB2 GLN A 69 6.085 -1.094 -14.561 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.934 0.137 -14.082 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.652 -0.189 -16.427 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.443 1.362 -16.228 1.00 0.00 H new ATOM 0 HE21 GLN A 69 6.907 1.719 -17.771 1.00 0.00 H new ATOM 0 HE22 GLN A 69 8.009 0.511 -18.440 1.00 0.00 H new ATOM 949 N GLU A 70 7.389 3.129 -14.529 1.00 0.00 N ATOM 950 CA GLU A 70 7.111 4.560 -14.513 1.00 0.00 C ATOM 951 C GLU A 70 5.907 4.890 -15.390 1.00 0.00 C ATOM 952 O GLU A 70 5.606 4.175 -16.346 1.00 0.00 O ATOM 953 CB GLU A 70 8.334 5.346 -14.990 1.00 0.00 C ATOM 954 CG GLU A 70 8.652 5.143 -16.462 1.00 0.00 C ATOM 955 CD GLU A 70 9.698 6.115 -16.972 1.00 0.00 C ATOM 956 OE1 GLU A 70 10.881 5.960 -16.605 1.00 0.00 O ATOM 957 OE2 GLU A 70 9.332 7.030 -17.739 1.00 0.00 O ATOM 0 H GLU A 70 8.249 2.872 -15.013 1.00 0.00 H new ATOM 0 HA GLU A 70 6.881 4.848 -13.487 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.168 6.407 -14.806 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.199 5.051 -14.396 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.003 4.123 -16.617 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.739 5.258 -17.046 1.00 0.00 H new ATOM 964 N THR A 71 5.220 5.979 -15.058 1.00 0.00 N ATOM 965 CA THR A 71 4.048 6.404 -15.813 1.00 0.00 C ATOM 966 C THR A 71 3.977 7.924 -15.908 1.00 0.00 C ATOM 967 O THR A 71 4.491 8.648 -15.055 1.00 0.00 O ATOM 968 CB THR A 71 2.748 5.879 -15.175 1.00 0.00 C ATOM 969 OG1 THR A 71 2.762 6.121 -13.764 1.00 0.00 O ATOM 970 CG2 THR A 71 2.580 4.390 -15.438 1.00 0.00 C ATOM 0 H THR A 71 5.456 6.583 -14.270 1.00 0.00 H new ATOM 0 HA THR A 71 4.147 5.984 -16.814 1.00 0.00 H new ATOM 0 HB THR A 71 1.908 6.409 -15.625 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.496 6.732 -13.544 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.655 4.041 -14.978 1.00 0.00 H new ATOM 0 HG22 THR A 71 2.540 4.213 -16.513 1.00 0.00 H new ATOM 0 HG23 THR A 71 3.424 3.848 -15.012 1.00 0.00 H new ATOM 978 N PRO A 72 3.324 8.421 -16.969 1.00 0.00 N ATOM 979 CA PRO A 72 3.169 9.860 -17.199 1.00 0.00 C ATOM 980 C PRO A 72 2.227 10.511 -16.192 1.00 0.00 C ATOM 981 O PRO A 72 2.240 11.728 -16.013 1.00 0.00 O ATOM 982 CB PRO A 72 2.577 9.932 -18.609 1.00 0.00 C ATOM 983 CG PRO A 72 1.883 8.627 -18.795 1.00 0.00 C ATOM 984 CD PRO A 72 2.687 7.617 -18.025 1.00 0.00 C ATOM 0 HA PRO A 72 4.113 10.394 -17.090 1.00 0.00 H new ATOM 0 HB2 PRO A 72 1.883 10.767 -18.705 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.355 10.077 -19.358 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.859 8.674 -18.426 1.00 0.00 H new ATOM 0 HG3 PRO A 72 1.829 8.360 -19.851 1.00 0.00 H new ATOM 0 HD2 PRO A 72 2.054 6.834 -17.607 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.427 7.126 -18.657 1.00 0.00 H new ATOM 992 N GLU A 73 1.411 9.690 -15.536 1.00 0.00 N ATOM 993 CA GLU A 73 0.463 10.188 -14.547 1.00 0.00 C ATOM 994 C GLU A 73 1.100 10.243 -13.162 1.00 0.00 C ATOM 995 O GLU A 73 0.893 11.194 -12.409 1.00 0.00 O ATOM 996 CB GLU A 73 -0.783 9.300 -14.512 1.00 0.00 C ATOM 997 CG GLU A 73 -1.806 9.728 -13.473 1.00 0.00 C ATOM 998 CD GLU A 73 -3.184 9.155 -13.740 1.00 0.00 C ATOM 999 OE1 GLU A 73 -3.287 7.928 -13.949 1.00 0.00 O ATOM 1000 OE2 GLU A 73 -4.160 9.935 -13.741 1.00 0.00 O ATOM 0 H GLU A 73 1.388 8.679 -15.672 1.00 0.00 H new ATOM 0 HA GLU A 73 0.173 11.199 -14.835 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.252 9.307 -15.496 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.481 8.272 -14.311 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.470 9.411 -12.486 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.866 10.816 -13.455 1.00 0.00 H new ATOM 1007 N GLY A 74 1.877 9.216 -12.832 1.00 0.00 N ATOM 1008 CA GLY A 74 2.532 9.166 -11.539 1.00 0.00 C ATOM 1009 C GLY A 74 3.339 7.897 -11.346 1.00 0.00 C ATOM 1010 O GLY A 74 4.289 7.639 -12.085 1.00 0.00 O ATOM 0 H GLY A 74 2.064 8.417 -13.438 1.00 0.00 H new ATOM 0 HA2 GLY A 74 3.189 10.030 -11.434 1.00 0.00 H new ATOM 0 HA3 GLY A 74 1.781 9.239 -10.752 1.00 0.00 H new ATOM 1014 N TYR A 75 2.962 7.104 -10.349 1.00 0.00 N ATOM 1015 CA TYR A 75 3.660 5.858 -10.058 1.00 0.00 C ATOM 1016 C TYR A 75 2.686 4.684 -10.022 1.00 0.00 C ATOM 1017 O TYR A 75 1.810 4.614 -9.160 1.00 0.00 O ATOM 1018 CB TYR A 75 4.400 5.962 -8.723 1.00 0.00 C ATOM 1019 CG TYR A 75 5.405 7.090 -8.675 1.00 0.00 C ATOM 1020 CD1 TYR A 75 6.452 7.154 -9.587 1.00 0.00 C ATOM 1021 CD2 TYR A 75 5.310 8.092 -7.717 1.00 0.00 C ATOM 1022 CE1 TYR A 75 7.373 8.182 -9.546 1.00 0.00 C ATOM 1023 CE2 TYR A 75 6.226 9.125 -7.670 1.00 0.00 C ATOM 1024 CZ TYR A 75 7.256 9.165 -8.586 1.00 0.00 C ATOM 1025 OH TYR A 75 8.171 10.192 -8.542 1.00 0.00 O ATOM 0 H TYR A 75 2.177 7.302 -9.729 1.00 0.00 H new ATOM 0 HA TYR A 75 4.384 5.683 -10.854 1.00 0.00 H new ATOM 0 HB2 TYR A 75 3.672 6.101 -7.923 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.913 5.021 -8.527 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.547 6.386 -10.341 1.00 0.00 H new ATOM 0 HD2 TYR A 75 4.506 8.063 -6.997 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.181 8.216 -10.262 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.136 9.897 -6.920 1.00 0.00 H new ATOM 0 HH TYR A 75 8.436 10.355 -7.613 1.00 0.00 H new ATOM 1035 N LYS A 76 2.847 3.761 -10.965 1.00 0.00 N ATOM 1036 CA LYS A 76 1.985 2.588 -11.043 1.00 0.00 C ATOM 1037 C LYS A 76 2.728 1.336 -10.587 1.00 0.00 C ATOM 1038 O LYS A 76 3.766 0.980 -11.146 1.00 0.00 O ATOM 1039 CB LYS A 76 1.475 2.398 -12.473 1.00 0.00 C ATOM 1040 CG LYS A 76 0.635 1.146 -12.658 1.00 0.00 C ATOM 1041 CD LYS A 76 0.683 0.650 -14.094 1.00 0.00 C ATOM 1042 CE LYS A 76 0.105 -0.751 -14.219 1.00 0.00 C ATOM 1043 NZ LYS A 76 -0.449 -1.003 -15.578 1.00 0.00 N ATOM 0 H LYS A 76 3.567 3.803 -11.686 1.00 0.00 H new ATOM 0 HA LYS A 76 1.135 2.748 -10.379 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.883 3.268 -12.757 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.327 2.357 -13.151 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.994 0.364 -11.990 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.398 1.355 -12.378 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.126 1.333 -14.735 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.714 0.652 -14.447 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.881 -1.485 -14.001 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.680 -0.888 -13.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.833 -1.968 -15.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.207 -0.319 -15.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.306 -0.898 -16.286 1.00 0.00 H new ATOM 1057 N VAL A 77 2.190 0.671 -9.570 1.00 0.00 N ATOM 1058 CA VAL A 77 2.801 -0.543 -9.041 1.00 0.00 C ATOM 1059 C VAL A 77 1.868 -1.739 -9.195 1.00 0.00 C ATOM 1060 O VAL A 77 0.648 -1.585 -9.252 1.00 0.00 O ATOM 1061 CB VAL A 77 3.171 -0.383 -7.555 1.00 0.00 C ATOM 1062 CG1 VAL A 77 3.800 -1.661 -7.021 1.00 0.00 C ATOM 1063 CG2 VAL A 77 4.106 0.801 -7.364 1.00 0.00 C ATOM 0 H VAL A 77 1.332 0.952 -9.096 1.00 0.00 H new ATOM 0 HA VAL A 77 3.710 -0.718 -9.617 1.00 0.00 H new ATOM 0 HB VAL A 77 2.259 -0.192 -6.990 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.055 -1.529 -5.969 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.093 -2.484 -7.123 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.703 -1.886 -7.588 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.357 0.899 -6.308 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.017 0.642 -7.941 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.615 1.712 -7.706 1.00 0.00 H new ATOM 1073 N MET A 78 2.451 -2.932 -9.262 1.00 0.00 N ATOM 1074 CA MET A 78 1.671 -4.156 -9.407 1.00 0.00 C ATOM 1075 C MET A 78 2.210 -5.255 -8.497 1.00 0.00 C ATOM 1076 O MET A 78 3.420 -5.378 -8.305 1.00 0.00 O ATOM 1077 CB MET A 78 1.690 -4.627 -10.863 1.00 0.00 C ATOM 1078 CG MET A 78 1.216 -3.573 -11.850 1.00 0.00 C ATOM 1079 SD MET A 78 1.814 -3.871 -13.524 1.00 0.00 S ATOM 1080 CE MET A 78 3.236 -2.783 -13.575 1.00 0.00 C ATOM 0 H MET A 78 3.460 -3.077 -9.218 1.00 0.00 H new ATOM 0 HA MET A 78 0.643 -3.940 -9.116 1.00 0.00 H new ATOM 0 HB2 MET A 78 2.704 -4.928 -11.125 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.060 -5.511 -10.958 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.126 -3.551 -11.856 1.00 0.00 H new ATOM 0 HG3 MET A 78 1.553 -2.591 -11.517 1.00 0.00 H new ATOM 0 HE1 MET A 78 3.554 -2.648 -14.609 1.00 0.00 H new ATOM 0 HE2 MET A 78 2.970 -1.816 -13.148 1.00 0.00 H new ATOM 0 HE3 MET A 78 4.051 -3.222 -12.999 1.00 0.00 H new ATOM 1090 N TYR A 79 1.305 -6.051 -7.940 1.00 0.00 N ATOM 1091 CA TYR A 79 1.689 -7.139 -7.047 1.00 0.00 C ATOM 1092 C TYR A 79 0.643 -8.249 -7.059 1.00 0.00 C ATOM 1093 O TYR A 79 -0.557 -7.988 -7.150 1.00 0.00 O ATOM 1094 CB TYR A 79 1.878 -6.615 -5.623 1.00 0.00 C ATOM 1095 CG TYR A 79 0.579 -6.410 -4.876 1.00 0.00 C ATOM 1096 CD1 TYR A 79 -0.166 -7.494 -4.428 1.00 0.00 C ATOM 1097 CD2 TYR A 79 0.096 -5.133 -4.620 1.00 0.00 C ATOM 1098 CE1 TYR A 79 -1.354 -7.312 -3.747 1.00 0.00 C ATOM 1099 CE2 TYR A 79 -1.090 -4.941 -3.938 1.00 0.00 C ATOM 1100 CZ TYR A 79 -1.812 -6.033 -3.504 1.00 0.00 C ATOM 1101 OH TYR A 79 -2.994 -5.846 -2.825 1.00 0.00 O ATOM 0 H TYR A 79 0.300 -5.964 -8.091 1.00 0.00 H new ATOM 0 HA TYR A 79 2.633 -7.551 -7.403 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.501 -7.316 -5.067 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.418 -5.669 -5.662 1.00 0.00 H new ATOM 0 HD1 TYR A 79 0.190 -8.496 -4.615 1.00 0.00 H new ATOM 0 HD2 TYR A 79 0.657 -4.275 -4.960 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -1.921 -8.166 -3.407 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.450 -3.941 -3.746 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.569 -5.235 -3.332 1.00 0.00 H new ATOM 1111 N THR A 80 1.107 -9.491 -6.966 1.00 0.00 N ATOM 1112 CA THR A 80 0.214 -10.643 -6.966 1.00 0.00 C ATOM 1113 C THR A 80 0.542 -11.594 -5.821 1.00 0.00 C ATOM 1114 O THR A 80 1.556 -12.293 -5.834 1.00 0.00 O ATOM 1115 CB THR A 80 0.292 -11.414 -8.297 1.00 0.00 C ATOM 1116 OG1 THR A 80 -0.242 -10.615 -9.359 1.00 0.00 O ATOM 1117 CG2 THR A 80 -0.474 -12.726 -8.208 1.00 0.00 C ATOM 0 H THR A 80 2.097 -9.725 -6.890 1.00 0.00 H new ATOM 0 HA THR A 80 -0.797 -10.258 -6.836 1.00 0.00 H new ATOM 0 HB THR A 80 1.339 -11.636 -8.502 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.187 -11.112 -10.202 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.405 -13.253 -9.160 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.046 -13.344 -7.419 1.00 0.00 H new ATOM 0 HG23 THR A 80 -1.521 -12.522 -7.982 1.00 0.00 H new ATOM 1125 N PRO A 81 -0.334 -11.624 -4.806 1.00 0.00 N ATOM 1126 CA PRO A 81 -0.158 -12.487 -3.634 1.00 0.00 C ATOM 1127 C PRO A 81 -0.345 -13.963 -3.967 1.00 0.00 C ATOM 1128 O PRO A 81 -1.389 -14.365 -4.480 1.00 0.00 O ATOM 1129 CB PRO A 81 -1.254 -12.012 -2.676 1.00 0.00 C ATOM 1130 CG PRO A 81 -2.299 -11.421 -3.559 1.00 0.00 C ATOM 1131 CD PRO A 81 -1.563 -10.818 -4.724 1.00 0.00 C ATOM 0 HA PRO A 81 0.849 -12.414 -3.222 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -1.653 -12.840 -2.089 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -0.870 -11.276 -1.969 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -3.003 -12.182 -3.894 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -2.876 -10.664 -3.028 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -2.146 -10.880 -5.643 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -1.342 -9.764 -4.557 1.00 0.00 H new ATOM 1139 N MET A 82 0.672 -14.765 -3.673 1.00 0.00 N ATOM 1140 CA MET A 82 0.618 -16.197 -3.940 1.00 0.00 C ATOM 1141 C MET A 82 -0.030 -16.943 -2.779 1.00 0.00 C ATOM 1142 O MET A 82 -0.598 -18.020 -2.960 1.00 0.00 O ATOM 1143 CB MET A 82 2.024 -16.744 -4.192 1.00 0.00 C ATOM 1144 CG MET A 82 2.039 -18.040 -4.987 1.00 0.00 C ATOM 1145 SD MET A 82 3.709 -18.640 -5.306 1.00 0.00 S ATOM 1146 CE MET A 82 3.576 -19.116 -7.027 1.00 0.00 C ATOM 0 H MET A 82 1.544 -14.448 -3.250 1.00 0.00 H new ATOM 0 HA MET A 82 0.011 -16.352 -4.832 1.00 0.00 H new ATOM 0 HB2 MET A 82 2.607 -15.993 -4.726 1.00 0.00 H new ATOM 0 HB3 MET A 82 2.518 -16.909 -3.234 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.481 -18.802 -4.443 1.00 0.00 H new ATOM 0 HG3 MET A 82 1.525 -17.886 -5.936 1.00 0.00 H new ATOM 0 HE1 MET A 82 4.533 -19.508 -7.371 1.00 0.00 H new ATOM 0 HE2 MET A 82 2.810 -19.884 -7.134 1.00 0.00 H new ATOM 0 HE3 MET A 82 3.304 -18.246 -7.625 1.00 0.00 H new ATOM 1156 N ALA A 83 0.060 -16.364 -1.586 1.00 0.00 N ATOM 1157 CA ALA A 83 -0.520 -16.974 -0.395 1.00 0.00 C ATOM 1158 C ALA A 83 -1.352 -15.965 0.389 1.00 0.00 C ATOM 1159 O ALA A 83 -1.036 -14.777 0.448 1.00 0.00 O ATOM 1160 CB ALA A 83 0.576 -17.556 0.486 1.00 0.00 C ATOM 0 H ALA A 83 0.529 -15.474 -1.418 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.181 -17.780 -0.714 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.129 -18.008 1.372 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.126 -18.315 -0.071 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.259 -16.762 0.789 1.00 0.00 H new ATOM 1166 N PRO A 84 -2.441 -16.447 1.005 1.00 0.00 N ATOM 1167 CA PRO A 84 -3.342 -15.603 1.796 1.00 0.00 C ATOM 1168 C PRO A 84 -2.698 -15.127 3.094 1.00 0.00 C ATOM 1169 O PRO A 84 -1.690 -15.676 3.536 1.00 0.00 O ATOM 1170 CB PRO A 84 -4.525 -16.528 2.094 1.00 0.00 C ATOM 1171 CG PRO A 84 -3.957 -17.904 2.023 1.00 0.00 C ATOM 1172 CD PRO A 84 -2.878 -17.853 0.977 1.00 0.00 C ATOM 0 HA PRO A 84 -3.619 -14.692 1.265 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -4.949 -16.325 3.078 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -5.326 -16.392 1.368 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -3.551 -18.209 2.988 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -4.725 -18.630 1.756 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -2.059 -18.533 1.211 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -3.257 -18.137 -0.005 1.00 0.00 H new ATOM 1180 N GLY A 85 -3.289 -14.102 3.701 1.00 0.00 N ATOM 1181 CA GLY A 85 -2.759 -13.570 4.943 1.00 0.00 C ATOM 1182 C GLY A 85 -3.034 -12.087 5.102 1.00 0.00 C ATOM 1183 O GLY A 85 -4.076 -11.593 4.673 1.00 0.00 O ATOM 0 H GLY A 85 -4.125 -13.631 3.355 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.197 -14.110 5.782 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.683 -13.743 4.979 1.00 0.00 H new ATOM 1187 N ASN A 86 -2.098 -11.377 5.723 1.00 0.00 N ATOM 1188 CA ASN A 86 -2.246 -9.942 5.940 1.00 0.00 C ATOM 1189 C ASN A 86 -1.027 -9.185 5.423 1.00 0.00 C ATOM 1190 O ASN A 86 0.072 -9.315 5.962 1.00 0.00 O ATOM 1191 CB ASN A 86 -2.449 -9.649 7.428 1.00 0.00 C ATOM 1192 CG ASN A 86 -1.624 -10.562 8.315 1.00 0.00 C ATOM 1193 OD1 ASN A 86 -1.864 -11.768 8.378 1.00 0.00 O ATOM 1194 ND2 ASN A 86 -0.646 -9.989 9.007 1.00 0.00 N ATOM 0 H ASN A 86 -1.230 -11.771 6.085 1.00 0.00 H new ATOM 0 HA ASN A 86 -3.122 -9.604 5.387 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.182 -8.612 7.631 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -3.504 -9.761 7.677 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -0.058 -10.552 9.621 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -0.483 -8.986 8.924 1.00 0.00 H new ATOM 1201 N TYR A 87 -1.229 -8.394 4.375 1.00 0.00 N ATOM 1202 CA TYR A 87 -0.147 -7.618 3.783 1.00 0.00 C ATOM 1203 C TYR A 87 -0.293 -6.136 4.118 1.00 0.00 C ATOM 1204 O TYR A 87 -1.406 -5.623 4.246 1.00 0.00 O ATOM 1205 CB TYR A 87 -0.124 -7.809 2.266 1.00 0.00 C ATOM 1206 CG TYR A 87 0.260 -9.208 1.838 1.00 0.00 C ATOM 1207 CD1 TYR A 87 -0.566 -10.291 2.115 1.00 0.00 C ATOM 1208 CD2 TYR A 87 1.448 -9.447 1.159 1.00 0.00 C ATOM 1209 CE1 TYR A 87 -0.220 -11.571 1.726 1.00 0.00 C ATOM 1210 CE2 TYR A 87 1.801 -10.723 0.765 1.00 0.00 C ATOM 1211 CZ TYR A 87 0.964 -11.782 1.052 1.00 0.00 C ATOM 1212 OH TYR A 87 1.314 -13.055 0.663 1.00 0.00 O ATOM 0 H TYR A 87 -2.133 -8.274 3.918 1.00 0.00 H new ATOM 0 HA TYR A 87 0.794 -7.976 4.202 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -1.109 -7.572 1.863 1.00 0.00 H new ATOM 0 HB3 TYR A 87 0.578 -7.099 1.829 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -1.494 -10.129 2.643 1.00 0.00 H new ATOM 0 HD2 TYR A 87 2.107 -8.621 0.935 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -0.873 -12.402 1.949 1.00 0.00 H new ATOM 0 HE2 TYR A 87 2.727 -10.891 0.235 1.00 0.00 H new ATOM 0 HH TYR A 87 0.508 -13.606 0.584 1.00 0.00 H new ATOM 1222 N LEU A 88 0.838 -5.453 4.257 1.00 0.00 N ATOM 1223 CA LEU A 88 0.838 -4.030 4.576 1.00 0.00 C ATOM 1224 C LEU A 88 1.568 -3.231 3.501 1.00 0.00 C ATOM 1225 O LEU A 88 2.648 -3.618 3.053 1.00 0.00 O ATOM 1226 CB LEU A 88 1.493 -3.792 5.937 1.00 0.00 C ATOM 1227 CG LEU A 88 1.075 -2.516 6.670 1.00 0.00 C ATOM 1228 CD1 LEU A 88 1.311 -1.296 5.793 1.00 0.00 C ATOM 1229 CD2 LEU A 88 -0.385 -2.598 7.092 1.00 0.00 C ATOM 0 H LEU A 88 1.767 -5.862 4.154 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.197 -3.692 4.614 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.271 -4.645 6.579 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.574 -3.770 5.799 1.00 0.00 H new ATOM 0 HG LEU A 88 1.687 -2.417 7.567 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.008 -0.397 6.330 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.369 -1.228 5.541 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.725 -1.387 4.878 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.665 -1.682 7.612 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.013 -2.721 6.209 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.524 -3.450 7.757 1.00 0.00 H new ATOM 1241 N ILE A 89 0.973 -2.115 3.094 1.00 0.00 N ATOM 1242 CA ILE A 89 1.569 -1.261 2.074 1.00 0.00 C ATOM 1243 C ILE A 89 1.940 0.103 2.648 1.00 0.00 C ATOM 1244 O ILE A 89 1.069 0.893 3.012 1.00 0.00 O ATOM 1245 CB ILE A 89 0.617 -1.061 0.880 1.00 0.00 C ATOM 1246 CG1 ILE A 89 -0.027 -2.391 0.485 1.00 0.00 C ATOM 1247 CG2 ILE A 89 1.365 -0.457 -0.299 1.00 0.00 C ATOM 1248 CD1 ILE A 89 -1.148 -2.245 -0.520 1.00 0.00 C ATOM 0 H ILE A 89 0.079 -1.781 3.455 1.00 0.00 H new ATOM 0 HA ILE A 89 2.471 -1.765 1.728 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.173 -0.370 1.176 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.738 -3.047 0.070 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.414 -2.878 1.380 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.678 -0.322 -1.135 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.780 0.509 -0.010 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.173 -1.125 -0.598 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.558 -3.228 -0.754 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.933 -1.615 -0.101 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.763 -1.787 -1.431 1.00 0.00 H new ATOM 1260 N SER A 90 3.239 0.373 2.724 1.00 0.00 N ATOM 1261 CA SER A 90 3.727 1.640 3.255 1.00 0.00 C ATOM 1262 C SER A 90 4.012 2.628 2.128 1.00 0.00 C ATOM 1263 O SER A 90 4.859 2.380 1.269 1.00 0.00 O ATOM 1264 CB SER A 90 4.992 1.417 4.085 1.00 0.00 C ATOM 1265 OG SER A 90 4.673 1.140 5.438 1.00 0.00 O ATOM 0 H SER A 90 3.973 -0.269 2.424 1.00 0.00 H new ATOM 0 HA SER A 90 2.951 2.060 3.895 1.00 0.00 H new ATOM 0 HB2 SER A 90 5.564 0.589 3.666 1.00 0.00 H new ATOM 0 HB3 SER A 90 5.626 2.302 4.032 1.00 0.00 H new ATOM 0 HG SER A 90 5.499 1.000 5.947 1.00 0.00 H new ATOM 1271 N VAL A 91 3.299 3.750 2.138 1.00 0.00 N ATOM 1272 CA VAL A 91 3.475 4.776 1.118 1.00 0.00 C ATOM 1273 C VAL A 91 3.961 6.084 1.733 1.00 0.00 C ATOM 1274 O VAL A 91 3.394 6.572 2.710 1.00 0.00 O ATOM 1275 CB VAL A 91 2.164 5.038 0.353 1.00 0.00 C ATOM 1276 CG1 VAL A 91 2.326 6.214 -0.598 1.00 0.00 C ATOM 1277 CG2 VAL A 91 1.729 3.790 -0.400 1.00 0.00 C ATOM 0 H VAL A 91 2.594 3.971 2.841 1.00 0.00 H new ATOM 0 HA VAL A 91 4.226 4.404 0.421 1.00 0.00 H new ATOM 0 HB VAL A 91 1.387 5.290 1.075 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.390 6.384 -1.129 1.00 0.00 H new ATOM 0 HG12 VAL A 91 2.588 7.107 -0.031 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.116 5.995 -1.316 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.801 3.993 -0.935 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.504 3.506 -1.112 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.570 2.976 0.307 1.00 0.00 H new ATOM 1287 N LYS A 92 5.015 6.648 1.153 1.00 0.00 N ATOM 1288 CA LYS A 92 5.579 7.901 1.641 1.00 0.00 C ATOM 1289 C LYS A 92 6.014 8.790 0.481 1.00 0.00 C ATOM 1290 O LYS A 92 6.694 8.337 -0.440 1.00 0.00 O ATOM 1291 CB LYS A 92 6.771 7.624 2.560 1.00 0.00 C ATOM 1292 CG LYS A 92 6.371 7.207 3.965 1.00 0.00 C ATOM 1293 CD LYS A 92 7.556 6.659 4.742 1.00 0.00 C ATOM 1294 CE LYS A 92 7.720 5.162 4.528 1.00 0.00 C ATOM 1295 NZ LYS A 92 8.778 4.588 5.405 1.00 0.00 N ATOM 0 H LYS A 92 5.496 6.257 0.343 1.00 0.00 H new ATOM 0 HA LYS A 92 4.806 8.423 2.206 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.385 6.839 2.118 1.00 0.00 H new ATOM 0 HB3 LYS A 92 7.390 8.519 2.618 1.00 0.00 H new ATOM 0 HG2 LYS A 92 5.952 8.063 4.494 1.00 0.00 H new ATOM 0 HG3 LYS A 92 5.588 6.450 3.912 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.465 7.174 4.431 1.00 0.00 H new ATOM 0 HD3 LYS A 92 7.421 6.863 5.804 1.00 0.00 H new ATOM 0 HE2 LYS A 92 6.773 4.661 4.727 1.00 0.00 H new ATOM 0 HE3 LYS A 92 7.970 4.970 3.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 8.859 3.566 5.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 9.688 5.048 5.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 8.528 4.749 6.402 1.00 0.00 H new ATOM 1309 N TYR A 93 5.620 10.058 0.533 1.00 0.00 N ATOM 1310 CA TYR A 93 5.968 11.010 -0.514 1.00 0.00 C ATOM 1311 C TYR A 93 6.807 12.155 0.048 1.00 0.00 C ATOM 1312 O TYR A 93 6.451 12.764 1.055 1.00 0.00 O ATOM 1313 CB TYR A 93 4.703 11.565 -1.170 1.00 0.00 C ATOM 1314 CG TYR A 93 4.955 12.766 -2.054 1.00 0.00 C ATOM 1315 CD1 TYR A 93 5.059 14.042 -1.513 1.00 0.00 C ATOM 1316 CD2 TYR A 93 5.092 12.624 -3.429 1.00 0.00 C ATOM 1317 CE1 TYR A 93 5.289 15.141 -2.317 1.00 0.00 C ATOM 1318 CE2 TYR A 93 5.323 13.718 -4.241 1.00 0.00 C ATOM 1319 CZ TYR A 93 5.420 14.974 -3.680 1.00 0.00 C ATOM 1320 OH TYR A 93 5.651 16.067 -4.484 1.00 0.00 O ATOM 0 H TYR A 93 5.059 10.450 1.290 1.00 0.00 H new ATOM 0 HA TYR A 93 6.558 10.485 -1.265 1.00 0.00 H new ATOM 0 HB2 TYR A 93 4.237 10.779 -1.764 1.00 0.00 H new ATOM 0 HB3 TYR A 93 3.991 11.840 -0.392 1.00 0.00 H new ATOM 0 HD1 TYR A 93 4.958 14.176 -0.446 1.00 0.00 H new ATOM 0 HD2 TYR A 93 5.017 11.642 -3.871 1.00 0.00 H new ATOM 0 HE1 TYR A 93 5.366 16.126 -1.881 1.00 0.00 H new ATOM 0 HE2 TYR A 93 5.427 13.590 -5.308 1.00 0.00 H new ATOM 0 HH TYR A 93 5.798 15.770 -5.406 1.00 0.00 H new ATOM 1330 N GLY A 94 7.924 12.441 -0.614 1.00 0.00 N ATOM 1331 CA GLY A 94 8.797 13.511 -0.168 1.00 0.00 C ATOM 1332 C GLY A 94 9.588 13.136 1.070 1.00 0.00 C ATOM 1333 O GLY A 94 10.817 13.093 1.039 1.00 0.00 O ATOM 0 H GLY A 94 8.240 11.951 -1.451 1.00 0.00 H new ATOM 0 HA2 GLY A 94 9.487 13.772 -0.971 1.00 0.00 H new ATOM 0 HA3 GLY A 94 8.201 14.399 0.041 1.00 0.00 H new ATOM 1337 N GLY A 95 8.882 12.866 2.163 1.00 0.00 N ATOM 1338 CA GLY A 95 9.543 12.498 3.402 1.00 0.00 C ATOM 1339 C GLY A 95 8.864 11.336 4.098 1.00 0.00 C ATOM 1340 O GLY A 95 8.115 10.570 3.489 1.00 0.00 O ATOM 0 H GLY A 95 7.864 12.895 2.213 1.00 0.00 H new ATOM 0 HA2 GLY A 95 10.580 12.236 3.193 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.560 13.359 4.071 1.00 0.00 H new ATOM 1344 N PRO A 96 9.125 11.190 5.406 1.00 0.00 N ATOM 1345 CA PRO A 96 8.545 10.113 6.214 1.00 0.00 C ATOM 1346 C PRO A 96 7.047 10.297 6.434 1.00 0.00 C ATOM 1347 O PRO A 96 6.340 9.351 6.778 1.00 0.00 O ATOM 1348 CB PRO A 96 9.297 10.221 7.542 1.00 0.00 C ATOM 1349 CG PRO A 96 9.737 11.643 7.614 1.00 0.00 C ATOM 1350 CD PRO A 96 10.008 12.064 6.196 1.00 0.00 C ATOM 0 HA PRO A 96 8.645 9.141 5.730 1.00 0.00 H new ATOM 0 HB2 PRO A 96 8.654 9.963 8.383 1.00 0.00 H new ATOM 0 HB3 PRO A 96 10.149 9.541 7.571 1.00 0.00 H new ATOM 0 HG2 PRO A 96 8.967 12.268 8.066 1.00 0.00 H new ATOM 0 HG3 PRO A 96 10.631 11.744 8.229 1.00 0.00 H new ATOM 0 HD2 PRO A 96 9.776 13.117 6.038 1.00 0.00 H new ATOM 0 HD3 PRO A 96 11.055 11.924 5.929 1.00 0.00 H new ATOM 1358 N ASN A 97 6.570 11.521 6.232 1.00 0.00 N ATOM 1359 CA ASN A 97 5.155 11.828 6.409 1.00 0.00 C ATOM 1360 C ASN A 97 4.305 11.085 5.383 1.00 0.00 C ATOM 1361 O ASN A 97 4.311 11.418 4.197 1.00 0.00 O ATOM 1362 CB ASN A 97 4.920 13.335 6.287 1.00 0.00 C ATOM 1363 CG ASN A 97 5.693 14.127 7.324 1.00 0.00 C ATOM 1364 OD1 ASN A 97 5.218 14.339 8.440 1.00 0.00 O ATOM 1365 ND2 ASN A 97 6.892 14.567 6.960 1.00 0.00 N ATOM 0 H ASN A 97 7.142 12.316 5.946 1.00 0.00 H new ATOM 0 HA ASN A 97 4.859 11.500 7.406 1.00 0.00 H new ATOM 0 HB2 ASN A 97 5.211 13.666 5.290 1.00 0.00 H new ATOM 0 HB3 ASN A 97 3.856 13.544 6.394 1.00 0.00 H new ATOM 0 HD21 ASN A 97 7.459 15.104 7.616 1.00 0.00 H new ATOM 0 HD22 ASN A 97 7.246 14.368 6.024 1.00 0.00 H new ATOM 1372 N HIS A 98 3.573 10.078 5.848 1.00 0.00 N ATOM 1373 CA HIS A 98 2.716 9.287 4.971 1.00 0.00 C ATOM 1374 C HIS A 98 1.573 10.136 4.420 1.00 0.00 C ATOM 1375 O HIS A 98 1.315 11.237 4.906 1.00 0.00 O ATOM 1376 CB HIS A 98 2.154 8.081 5.724 1.00 0.00 C ATOM 1377 CG HIS A 98 1.194 8.449 6.813 1.00 0.00 C ATOM 1378 ND1 HIS A 98 -0.143 8.701 6.585 1.00 0.00 N ATOM 1379 CD2 HIS A 98 1.383 8.605 8.144 1.00 0.00 C ATOM 1380 CE1 HIS A 98 -0.734 8.998 7.728 1.00 0.00 C ATOM 1381 NE2 HIS A 98 0.170 8.947 8.690 1.00 0.00 N ATOM 0 H HIS A 98 3.556 9.790 6.826 1.00 0.00 H new ATOM 0 HA HIS A 98 3.320 8.934 4.135 1.00 0.00 H new ATOM 0 HB2 HIS A 98 1.652 7.422 5.015 1.00 0.00 H new ATOM 0 HB3 HIS A 98 2.980 7.515 6.155 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -0.603 8.664 5.676 1.00 0.00 H new ATOM 0 HD2 HIS A 98 2.314 8.483 8.677 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -1.779 9.241 7.855 1.00 0.00 H new ATOM 1389 N ILE A 99 0.894 9.615 3.403 1.00 0.00 N ATOM 1390 CA ILE A 99 -0.221 10.325 2.787 1.00 0.00 C ATOM 1391 C ILE A 99 -1.545 9.935 3.435 1.00 0.00 C ATOM 1392 O ILE A 99 -1.581 9.127 4.362 1.00 0.00 O ATOM 1393 CB ILE A 99 -0.299 10.045 1.275 1.00 0.00 C ATOM 1394 CG1 ILE A 99 -0.445 8.544 1.019 1.00 0.00 C ATOM 1395 CG2 ILE A 99 0.934 10.591 0.571 1.00 0.00 C ATOM 1396 CD1 ILE A 99 -1.127 8.218 -0.292 1.00 0.00 C ATOM 0 H ILE A 99 1.096 8.705 2.989 1.00 0.00 H new ATOM 0 HA ILE A 99 -0.043 11.389 2.942 1.00 0.00 H new ATOM 0 HB ILE A 99 -1.177 10.550 0.872 1.00 0.00 H new ATOM 0 HG12 ILE A 99 0.543 8.084 1.029 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -1.013 8.098 1.835 1.00 0.00 H new ATOM 0 HG21 ILE A 99 0.864 10.385 -0.497 1.00 0.00 H new ATOM 0 HG22 ILE A 99 0.997 11.668 0.730 1.00 0.00 H new ATOM 0 HG23 ILE A 99 1.826 10.112 0.975 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -1.196 7.136 -0.407 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -2.128 8.648 -0.298 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -0.548 8.634 -1.117 1.00 0.00 H new ATOM 1408 N VAL A 100 -2.633 10.514 2.937 1.00 0.00 N ATOM 1409 CA VAL A 100 -3.962 10.226 3.464 1.00 0.00 C ATOM 1410 C VAL A 100 -4.261 8.732 3.414 1.00 0.00 C ATOM 1411 O VAL A 100 -3.793 8.025 2.522 1.00 0.00 O ATOM 1412 CB VAL A 100 -5.052 10.983 2.683 1.00 0.00 C ATOM 1413 CG1 VAL A 100 -5.379 10.260 1.386 1.00 0.00 C ATOM 1414 CG2 VAL A 100 -6.299 11.152 3.538 1.00 0.00 C ATOM 0 H VAL A 100 -2.620 11.185 2.169 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.970 10.561 4.501 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.674 11.974 2.433 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -6.151 10.810 0.848 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -4.483 10.196 0.769 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -5.738 9.255 1.610 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -7.059 11.689 2.971 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -6.682 10.171 3.820 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -6.050 11.717 4.436 1.00 0.00 H new ATOM 1424 N GLY A 101 -5.044 8.257 4.378 1.00 0.00 N ATOM 1425 CA GLY A 101 -5.392 6.849 4.425 1.00 0.00 C ATOM 1426 C GLY A 101 -4.272 5.993 4.980 1.00 0.00 C ATOM 1427 O GLY A 101 -4.483 5.202 5.899 1.00 0.00 O ATOM 0 H GLY A 101 -5.443 8.822 5.127 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -6.283 6.719 5.039 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.644 6.506 3.421 1.00 0.00 H new ATOM 1431 N SER A 102 -3.077 6.149 4.419 1.00 0.00 N ATOM 1432 CA SER A 102 -1.919 5.379 4.860 1.00 0.00 C ATOM 1433 C SER A 102 -1.848 5.329 6.383 1.00 0.00 C ATOM 1434 O SER A 102 -2.155 6.299 7.076 1.00 0.00 O ATOM 1435 CB SER A 102 -0.632 5.986 4.297 1.00 0.00 C ATOM 1436 OG SER A 102 0.361 4.992 4.111 1.00 0.00 O ATOM 0 H SER A 102 -2.885 6.801 3.659 1.00 0.00 H new ATOM 0 HA SER A 102 -2.026 4.361 4.485 1.00 0.00 H new ATOM 0 HB2 SER A 102 -0.843 6.476 3.347 1.00 0.00 H new ATOM 0 HB3 SER A 102 -0.260 6.753 4.976 1.00 0.00 H new ATOM 0 HG SER A 102 0.162 4.478 3.301 1.00 0.00 H new ATOM 1442 N PRO A 103 -1.433 4.171 6.917 1.00 0.00 N ATOM 1443 CA PRO A 103 -1.065 3.010 6.102 1.00 0.00 C ATOM 1444 C PRO A 103 -2.272 2.375 5.420 1.00 0.00 C ATOM 1445 O PRO A 103 -3.405 2.825 5.595 1.00 0.00 O ATOM 1446 CB PRO A 103 -0.456 2.041 7.119 1.00 0.00 C ATOM 1447 CG PRO A 103 -1.074 2.420 8.420 1.00 0.00 C ATOM 1448 CD PRO A 103 -1.291 3.906 8.359 1.00 0.00 C ATOM 0 HA PRO A 103 -0.389 3.280 5.291 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -0.679 1.005 6.862 1.00 0.00 H new ATOM 0 HB3 PRO A 103 0.629 2.134 7.154 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -2.017 1.894 8.572 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -0.423 2.155 9.253 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -2.181 4.205 8.912 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -0.451 4.453 8.787 1.00 0.00 H new ATOM 1456 N PHE A 104 -2.023 1.327 4.641 1.00 0.00 N ATOM 1457 CA PHE A 104 -3.090 0.631 3.932 1.00 0.00 C ATOM 1458 C PHE A 104 -3.054 -0.866 4.229 1.00 0.00 C ATOM 1459 O PHE A 104 -2.129 -1.569 3.824 1.00 0.00 O ATOM 1460 CB PHE A 104 -2.967 0.866 2.425 1.00 0.00 C ATOM 1461 CG PHE A 104 -2.907 2.319 2.048 1.00 0.00 C ATOM 1462 CD1 PHE A 104 -4.041 3.112 2.113 1.00 0.00 C ATOM 1463 CD2 PHE A 104 -1.716 2.891 1.630 1.00 0.00 C ATOM 1464 CE1 PHE A 104 -3.988 4.449 1.765 1.00 0.00 C ATOM 1465 CE2 PHE A 104 -1.657 4.227 1.282 1.00 0.00 C ATOM 1466 CZ PHE A 104 -2.795 5.007 1.351 1.00 0.00 C ATOM 0 H PHE A 104 -1.092 0.941 4.485 1.00 0.00 H new ATOM 0 HA PHE A 104 -4.043 1.030 4.279 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -2.070 0.367 2.059 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -3.816 0.403 1.923 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -4.976 2.681 2.439 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -0.823 2.285 1.576 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -4.879 5.057 1.817 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -0.723 4.661 0.957 1.00 0.00 H new ATOM 0 HZ PHE A 104 -2.752 6.052 1.081 1.00 0.00 H new ATOM 1476 N LYS A 105 -4.068 -1.346 4.941 1.00 0.00 N ATOM 1477 CA LYS A 105 -4.156 -2.758 5.293 1.00 0.00 C ATOM 1478 C LYS A 105 -4.987 -3.524 4.269 1.00 0.00 C ATOM 1479 O LYS A 105 -6.143 -3.186 4.017 1.00 0.00 O ATOM 1480 CB LYS A 105 -4.768 -2.920 6.686 1.00 0.00 C ATOM 1481 CG LYS A 105 -4.923 -4.368 7.118 1.00 0.00 C ATOM 1482 CD LYS A 105 -5.228 -4.478 8.602 1.00 0.00 C ATOM 1483 CE LYS A 105 -4.854 -5.848 9.148 1.00 0.00 C ATOM 1484 NZ LYS A 105 -5.049 -5.929 10.622 1.00 0.00 N ATOM 0 H LYS A 105 -4.841 -0.777 5.286 1.00 0.00 H new ATOM 0 HA LYS A 105 -3.147 -3.169 5.296 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -4.143 -2.398 7.411 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.746 -2.438 6.702 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -5.724 -4.836 6.545 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -4.008 -4.916 6.892 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -4.681 -3.707 9.145 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -6.289 -4.295 8.771 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -5.459 -6.611 8.659 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -3.813 -6.063 8.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -4.783 -6.878 10.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -4.453 -5.217 11.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -6.047 -5.749 10.851 1.00 0.00 H new ATOM 1498 N ALA A 106 -4.392 -4.557 3.683 1.00 0.00 N ATOM 1499 CA ALA A 106 -5.079 -5.373 2.690 1.00 0.00 C ATOM 1500 C ALA A 106 -5.192 -6.822 3.152 1.00 0.00 C ATOM 1501 O ALA A 106 -4.196 -7.447 3.517 1.00 0.00 O ATOM 1502 CB ALA A 106 -4.355 -5.298 1.354 1.00 0.00 C ATOM 0 H ALA A 106 -3.435 -4.849 3.879 1.00 0.00 H new ATOM 0 HA ALA A 106 -6.088 -4.979 2.567 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -4.879 -5.912 0.621 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -4.332 -4.264 1.010 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -3.335 -5.664 1.472 1.00 0.00 H new ATOM 1508 N LYS A 107 -6.411 -7.350 3.134 1.00 0.00 N ATOM 1509 CA LYS A 107 -6.655 -8.726 3.550 1.00 0.00 C ATOM 1510 C LYS A 107 -6.808 -9.642 2.340 1.00 0.00 C ATOM 1511 O LYS A 107 -7.715 -9.465 1.526 1.00 0.00 O ATOM 1512 CB LYS A 107 -7.910 -8.801 4.423 1.00 0.00 C ATOM 1513 CG LYS A 107 -8.114 -10.156 5.078 1.00 0.00 C ATOM 1514 CD LYS A 107 -9.040 -10.061 6.279 1.00 0.00 C ATOM 1515 CE LYS A 107 -10.496 -10.233 5.876 1.00 0.00 C ATOM 1516 NZ LYS A 107 -11.380 -10.434 7.057 1.00 0.00 N ATOM 0 H LYS A 107 -7.246 -6.846 2.836 1.00 0.00 H new ATOM 0 HA LYS A 107 -5.796 -9.062 4.130 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -7.849 -8.037 5.198 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -8.782 -8.567 3.812 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -8.530 -10.854 4.351 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -7.151 -10.559 5.391 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -8.771 -10.825 7.008 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -8.908 -9.095 6.766 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -10.825 -9.354 5.322 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -10.588 -11.086 5.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -12.364 -10.547 6.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -11.082 -11.287 7.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -11.312 -9.608 7.686 1.00 0.00 H new ATOM 1530 N VAL A 108 -5.917 -10.622 2.228 1.00 0.00 N ATOM 1531 CA VAL A 108 -5.955 -11.567 1.119 1.00 0.00 C ATOM 1532 C VAL A 108 -6.804 -12.786 1.464 1.00 0.00 C ATOM 1533 O VAL A 108 -6.837 -13.229 2.613 1.00 0.00 O ATOM 1534 CB VAL A 108 -4.540 -12.034 0.730 1.00 0.00 C ATOM 1535 CG1 VAL A 108 -4.574 -12.813 -0.575 1.00 0.00 C ATOM 1536 CG2 VAL A 108 -3.597 -10.845 0.626 1.00 0.00 C ATOM 0 H VAL A 108 -5.160 -10.782 2.892 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.402 -11.044 0.273 1.00 0.00 H new ATOM 0 HB VAL A 108 -4.168 -12.697 1.511 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.565 -13.134 -0.833 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -5.215 -13.687 -0.460 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.966 -12.177 -1.368 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.602 -11.193 0.350 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -3.964 -10.155 -0.134 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.549 -10.333 1.587 1.00 0.00 H new ATOM 1546 N THR A 109 -7.490 -13.326 0.462 1.00 0.00 N ATOM 1547 CA THR A 109 -8.339 -14.494 0.658 1.00 0.00 C ATOM 1548 C THR A 109 -8.250 -15.445 -0.529 1.00 0.00 C ATOM 1549 O THR A 109 -8.263 -15.017 -1.682 1.00 0.00 O ATOM 1550 CB THR A 109 -9.811 -14.089 0.868 1.00 0.00 C ATOM 1551 OG1 THR A 109 -10.242 -13.239 -0.201 1.00 0.00 O ATOM 1552 CG2 THR A 109 -9.991 -13.372 2.197 1.00 0.00 C ATOM 0 H THR A 109 -7.474 -12.972 -0.495 1.00 0.00 H new ATOM 0 HA THR A 109 -7.977 -15.001 1.553 1.00 0.00 H new ATOM 0 HB THR A 109 -10.416 -14.995 0.878 1.00 0.00 H new ATOM 0 HG1 THR A 109 -11.179 -12.987 -0.061 1.00 0.00 H new ATOM 0 HG21 THR A 109 -11.038 -13.096 2.323 1.00 0.00 H new ATOM 0 HG22 THR A 109 -9.690 -14.032 3.010 1.00 0.00 H new ATOM 0 HG23 THR A 109 -9.375 -12.473 2.212 1.00 0.00 H new ATOM 1560 N GLY A 110 -8.159 -16.740 -0.239 1.00 0.00 N ATOM 1561 CA GLY A 110 -8.070 -17.732 -1.295 1.00 0.00 C ATOM 1562 C GLY A 110 -7.201 -18.912 -0.909 1.00 0.00 C ATOM 1563 O GLY A 110 -6.067 -18.736 -0.463 1.00 0.00 O ATOM 0 H GLY A 110 -8.145 -17.119 0.708 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -9.071 -18.087 -1.541 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -7.667 -17.266 -2.194 1.00 0.00 H new ATOM 1567 N GLN A 111 -7.733 -20.118 -1.078 1.00 0.00 N ATOM 1568 CA GLN A 111 -6.998 -21.331 -0.742 1.00 0.00 C ATOM 1569 C GLN A 111 -5.595 -21.301 -1.338 1.00 0.00 C ATOM 1570 O GLN A 111 -5.426 -21.122 -2.544 1.00 0.00 O ATOM 1571 CB GLN A 111 -7.751 -22.565 -1.243 1.00 0.00 C ATOM 1572 CG GLN A 111 -8.009 -22.553 -2.741 1.00 0.00 C ATOM 1573 CD GLN A 111 -9.029 -23.591 -3.166 1.00 0.00 C ATOM 1574 OE1 GLN A 111 -8.985 -24.739 -2.723 1.00 0.00 O ATOM 1575 NE2 GLN A 111 -9.956 -23.191 -4.029 1.00 0.00 N ATOM 0 H GLN A 111 -8.670 -20.281 -1.446 1.00 0.00 H new ATOM 0 HA GLN A 111 -6.911 -21.383 0.343 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -7.179 -23.457 -0.988 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -8.704 -22.636 -0.719 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -8.358 -21.564 -3.038 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -7.072 -22.732 -3.269 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -9.954 -22.230 -4.370 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -10.670 -23.845 -4.351 1.00 0.00 H new ATOM 1584 N ARG A 112 -4.591 -21.476 -0.485 1.00 0.00 N ATOM 1585 CA ARG A 112 -3.202 -21.467 -0.927 1.00 0.00 C ATOM 1586 C ARG A 112 -3.051 -22.195 -2.260 1.00 0.00 C ATOM 1587 O ARG A 112 -3.284 -23.401 -2.350 1.00 0.00 O ATOM 1588 CB ARG A 112 -2.304 -22.118 0.126 1.00 0.00 C ATOM 1589 CG ARG A 112 -2.299 -21.386 1.458 1.00 0.00 C ATOM 1590 CD ARG A 112 -2.040 -22.337 2.616 1.00 0.00 C ATOM 1591 NE ARG A 112 -1.931 -21.633 3.890 1.00 0.00 N ATOM 1592 CZ ARG A 112 -1.932 -22.243 5.070 1.00 0.00 C ATOM 1593 NH1 ARG A 112 -2.035 -23.563 5.137 1.00 0.00 N ATOM 1594 NH2 ARG A 112 -1.830 -21.532 6.186 1.00 0.00 N ATOM 0 H ARG A 112 -4.714 -21.626 0.516 1.00 0.00 H new ATOM 0 HA ARG A 112 -2.897 -20.429 -1.062 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -2.632 -23.145 0.287 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -1.285 -22.165 -0.257 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -1.534 -20.610 1.445 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -3.257 -20.886 1.603 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -2.848 -23.066 2.673 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -1.121 -22.893 2.430 1.00 0.00 H new ATOM 0 HE ARG A 112 -1.850 -20.616 3.873 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -2.114 -24.112 4.281 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -2.036 -24.029 6.044 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -1.751 -20.516 6.138 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -1.831 -22.001 7.092 1.00 0.00 H new ATOM 1608 N LEU A 113 -2.660 -21.455 -3.292 1.00 0.00 N ATOM 1609 CA LEU A 113 -2.478 -22.029 -4.620 1.00 0.00 C ATOM 1610 C LEU A 113 -1.343 -23.048 -4.622 1.00 0.00 C ATOM 1611 O LEU A 113 -0.333 -22.868 -3.942 1.00 0.00 O ATOM 1612 CB LEU A 113 -2.191 -20.926 -5.640 1.00 0.00 C ATOM 1613 CG LEU A 113 -3.215 -19.792 -5.709 1.00 0.00 C ATOM 1614 CD1 LEU A 113 -2.774 -18.735 -6.709 1.00 0.00 C ATOM 1615 CD2 LEU A 113 -4.588 -20.336 -6.076 1.00 0.00 C ATOM 0 H LEU A 113 -2.463 -20.456 -3.234 1.00 0.00 H new ATOM 0 HA LEU A 113 -3.400 -22.540 -4.897 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -1.216 -20.495 -5.414 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.117 -21.382 -6.627 1.00 0.00 H new ATOM 0 HG LEU A 113 -3.281 -19.327 -4.725 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -3.515 -17.936 -6.745 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -1.812 -18.324 -6.404 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.679 -19.186 -7.697 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -5.304 -19.516 -6.121 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -4.537 -20.827 -7.048 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -4.907 -21.056 -5.323 1.00 0.00 H new