USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 808 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: B 14 LYS NZ :NH3+ -157:sc= -0.326! (180deg=-1.46!) USER MOD Set 1.2: B 81 ASN : amide:sc= 1.95 K(o=2.8,f=-15!) USER MOD Set 1.3: B 84 THR OG1 : rot 56:sc= 1.19 USER MOD Set 2.1: B 45 HIS : no HD1:sc= -0.22 X(o=-0.35,f=-0.073) USER MOD Set 2.2: B 75 THR OG1 : rot 130:sc= -0.125 USER MOD Set 3.1: B 17 GLN : amide:sc= 0.318 K(o=-0.8,f=-1.9!) USER MOD Set 3.2: B 20 GLN : amide:sc= -1.12! K(o=-0.8!,f=-1.9) USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 MET CE :methyl 138:sc= -0.0164 (180deg=-2.16!) USER MOD Single : B 44 SER OG : rot -20:sc= -0.43 USER MOD Single : B 46 MET CE :methyl -145:sc= -0.303 (180deg=-2.26) USER MOD Single : B 47 TYR OH : rot 33:sc= 0.278 USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 52 CYS SG : rot -8:sc= -0.984 USER MOD Single : B 53 GLN : amide:sc= -5.62! C(o=-5.6!,f=-8!) USER MOD Single : B 54 LYS NZ :NH3+ -161:sc= 1.08 (180deg=0.989) USER MOD Single : B 56 SER OG : rot 160:sc= -1.09 USER MOD Single : B 60 LYS NZ :NH3+ -152:sc= -0.053 (180deg=-1.33) USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 64 GLN : amide:sc= -3.79! C(o=-3.8!,f=-7.8!) USER MOD Single : B 66 GLN : amide:sc= -2.46! C(o=-2.5!,f=-3.5!) USER MOD Single : B 70 HIS : no HE2:sc= -7.38! C(o=-7.4!,f=-8.9!) USER MOD Single : B 74 THR OG1 : rot 180:sc= 0 USER MOD Single : B 76 ASN : amide:sc= -1.47! X(o=-1.5!,f=-1.8) USER MOD Single : B 78 HIS :FLIP no HE2:sc= -3.49! C(o=-4.6!,f=-3.5!) USER MOD Single : B 80 SER OG : rot 53:sc= -1.05! USER MOD Single : B 83 SER OG : rot 180:sc= 0.0207 USER MOD Single : B 87 LYS NZ :NH3+ 172:sc= 1.23 (180deg=1.18) USER MOD Single : B 93 LYS NZ :NH3+ -152:sc= 0.349! (180deg=-1.61!) USER MOD Single : B 97 GLN :FLIP amide:sc= -1.16 F(o=-3.5!,f=-1.2) USER MOD Single : B 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 102 LYS NZ :NH3+ -117:sc= 1.27 (180deg=-0.304) USER MOD ----------------------------------------------------------------- ATOM 339 N ASP A 132 3.962 4.802 13.737 1.00 0.00 N ATOM 340 CA ASP A 132 2.787 5.652 13.763 1.00 0.00 C ATOM 341 C ASP A 132 1.860 5.300 12.634 1.00 0.00 C ATOM 342 O ASP A 132 1.239 6.165 12.017 1.00 0.00 O ATOM 343 CB ASP A 132 3.227 7.083 13.581 1.00 0.00 C ATOM 344 CG ASP A 132 4.056 7.279 12.314 1.00 0.00 C ATOM 345 OD1 ASP A 132 5.015 6.512 12.097 1.00 0.00 O ATOM 346 OD2 ASP A 132 3.730 8.187 11.520 1.00 0.00 O ATOM 0 HA ASP A 132 2.270 5.515 14.713 1.00 0.00 H new ATOM 0 HB2 ASP A 132 2.349 7.728 13.541 1.00 0.00 H new ATOM 0 HB3 ASP A 132 3.812 7.394 14.447 1.00 0.00 H new ATOM 351 N TRP A 133 1.770 4.033 12.389 1.00 0.00 N ATOM 352 CA TRP A 133 0.963 3.515 11.313 1.00 0.00 C ATOM 353 C TRP A 133 -0.201 2.693 11.836 1.00 0.00 C ATOM 354 O TRP A 133 -0.056 1.937 12.795 1.00 0.00 O ATOM 355 CB TRP A 133 1.801 2.600 10.417 1.00 0.00 C ATOM 356 CG TRP A 133 3.212 3.033 10.140 1.00 0.00 C ATOM 357 CD1 TRP A 133 4.274 2.974 10.988 1.00 0.00 C ATOM 358 CD2 TRP A 133 3.730 3.527 8.908 1.00 0.00 C ATOM 359 NE1 TRP A 133 5.401 3.430 10.362 1.00 0.00 N ATOM 360 CE2 TRP A 133 5.096 3.782 9.102 1.00 0.00 C ATOM 361 CE3 TRP A 133 3.179 3.795 7.669 1.00 0.00 C ATOM 362 CZ2 TRP A 133 5.918 4.285 8.116 1.00 0.00 C ATOM 363 CZ3 TRP A 133 4.000 4.295 6.683 1.00 0.00 C ATOM 364 CH2 TRP A 133 5.355 4.541 6.910 1.00 0.00 C ATOM 0 H TRP A 133 2.255 3.317 12.929 1.00 0.00 H new ATOM 0 HA TRP A 133 0.588 4.374 10.756 1.00 0.00 H new ATOM 0 HB2 TRP A 133 1.833 1.612 10.875 1.00 0.00 H new ATOM 0 HB3 TRP A 133 1.285 2.493 9.463 1.00 0.00 H new ATOM 0 HD1 TRP A 133 4.233 2.619 12.007 1.00 0.00 H new ATOM 0 HE1 TRP A 133 6.327 3.493 10.785 1.00 0.00 H new ATOM 0 HE3 TRP A 133 2.131 3.617 7.479 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 6.967 4.467 8.297 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 3.584 4.502 5.708 1.00 0.00 H new ATOM 0 HH2 TRP A 133 5.964 4.941 6.113 1.00 0.00 H new ATOM 375 N GLU A 134 -1.348 2.855 11.199 1.00 0.00 N ATOM 376 CA GLU A 134 -2.507 2.057 11.514 1.00 0.00 C ATOM 377 C GLU A 134 -2.190 0.723 10.879 1.00 0.00 C ATOM 378 O GLU A 134 -2.308 0.555 9.665 1.00 0.00 O ATOM 379 CB GLU A 134 -3.782 2.666 10.920 1.00 0.00 C ATOM 380 CG GLU A 134 -3.872 4.178 11.074 1.00 0.00 C ATOM 381 CD GLU A 134 -5.029 4.778 10.300 1.00 0.00 C ATOM 382 OE1 GLU A 134 -6.190 4.509 10.658 1.00 0.00 O ATOM 383 OE2 GLU A 134 -4.769 5.523 9.331 1.00 0.00 O ATOM 0 H GLU A 134 -1.496 3.538 10.456 1.00 0.00 H new ATOM 0 HA GLU A 134 -2.697 1.986 12.585 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -3.834 2.415 9.861 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -4.648 2.209 11.399 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -3.980 4.426 12.130 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -2.940 4.630 10.734 1.00 0.00 H new ATOM 390 N GLU A 135 -1.709 -0.191 11.688 1.00 0.00 N ATOM 391 CA GLU A 135 -1.252 -1.466 11.195 1.00 0.00 C ATOM 392 C GLU A 135 -2.359 -2.342 10.622 1.00 0.00 C ATOM 393 O GLU A 135 -3.245 -2.825 11.321 1.00 0.00 O ATOM 394 CB GLU A 135 -0.439 -2.161 12.280 1.00 0.00 C ATOM 395 CG GLU A 135 -1.136 -2.302 13.618 1.00 0.00 C ATOM 396 CD GLU A 135 -0.161 -2.681 14.712 1.00 0.00 C ATOM 397 OE1 GLU A 135 0.929 -2.067 14.769 1.00 0.00 O ATOM 398 OE2 GLU A 135 -0.462 -3.599 15.495 1.00 0.00 O ATOM 0 H GLU A 135 -1.624 -0.073 12.698 1.00 0.00 H new ATOM 0 HA GLU A 135 -0.606 -1.280 10.337 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -0.164 -3.154 11.925 1.00 0.00 H new ATOM 0 HB3 GLU A 135 0.488 -1.607 12.428 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -1.626 -1.363 13.875 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -1.916 -3.060 13.545 1.00 0.00 H new ATOM 405 N VAL A 136 -2.271 -2.500 9.308 1.00 0.00 N ATOM 406 CA VAL A 136 -3.185 -3.299 8.515 1.00 0.00 C ATOM 407 C VAL A 136 -2.738 -4.754 8.444 1.00 0.00 C ATOM 408 O VAL A 136 -1.546 -5.064 8.326 1.00 0.00 O ATOM 409 CB VAL A 136 -3.285 -2.735 7.100 1.00 0.00 C ATOM 410 CG1 VAL A 136 -4.213 -3.537 6.243 1.00 0.00 C ATOM 411 CG2 VAL A 136 -3.696 -1.297 7.153 1.00 0.00 C ATOM 0 H VAL A 136 -1.538 -2.061 8.751 1.00 0.00 H new ATOM 0 HA VAL A 136 -4.160 -3.260 9.000 1.00 0.00 H new ATOM 0 HB VAL A 136 -2.300 -2.801 6.637 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -4.255 -3.101 5.245 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -3.851 -4.563 6.176 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -5.210 -3.532 6.683 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -3.765 -0.901 6.140 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -4.666 -1.214 7.642 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -2.956 -0.728 7.715 1.00 0.00 H new ATOM 421 N GLU A 137 -3.709 -5.626 8.513 1.00 0.00 N ATOM 422 CA GLU A 137 -3.485 -7.066 8.500 1.00 0.00 C ATOM 423 C GLU A 137 -4.137 -7.733 7.295 1.00 0.00 C ATOM 424 O GLU A 137 -5.049 -7.175 6.684 1.00 0.00 O ATOM 425 CB GLU A 137 -4.022 -7.682 9.787 1.00 0.00 C ATOM 426 CG GLU A 137 -4.594 -6.650 10.734 1.00 0.00 C ATOM 427 CD GLU A 137 -6.030 -6.282 10.399 1.00 0.00 C ATOM 428 OE1 GLU A 137 -6.238 -5.528 9.416 1.00 0.00 O ATOM 429 OE2 GLU A 137 -6.945 -6.749 11.107 1.00 0.00 O ATOM 0 H GLU A 137 -4.692 -5.364 8.581 1.00 0.00 H new ATOM 0 HA GLU A 137 -2.410 -7.234 8.428 1.00 0.00 H new ATOM 0 HB2 GLU A 137 -4.794 -8.411 9.541 1.00 0.00 H new ATOM 0 HB3 GLU A 137 -3.220 -8.224 10.288 1.00 0.00 H new ATOM 0 HG2 GLU A 137 -4.549 -7.033 11.753 1.00 0.00 H new ATOM 0 HG3 GLU A 137 -3.976 -5.752 10.704 1.00 0.00 H new ATOM 436 N GLU A 138 -3.589 -8.888 6.915 1.00 0.00 N ATOM 437 CA GLU A 138 -4.103 -9.687 5.803 1.00 0.00 C ATOM 438 C GLU A 138 -5.626 -9.795 5.881 1.00 0.00 C ATOM 439 O GLU A 138 -6.171 -10.388 6.811 1.00 0.00 O ATOM 440 CB GLU A 138 -3.487 -11.087 5.852 1.00 0.00 C ATOM 441 CG GLU A 138 -1.999 -11.092 6.173 1.00 0.00 C ATOM 442 CD GLU A 138 -1.141 -11.098 4.929 1.00 0.00 C ATOM 443 OE1 GLU A 138 -1.364 -11.960 4.058 1.00 0.00 O ATOM 444 OE2 GLU A 138 -0.232 -10.255 4.818 1.00 0.00 O ATOM 0 H GLU A 138 -2.774 -9.297 7.372 1.00 0.00 H new ATOM 0 HA GLU A 138 -3.834 -9.199 4.866 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -4.013 -11.679 6.601 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -3.644 -11.577 4.891 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -1.757 -10.215 6.774 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -1.764 -11.968 6.778 1.00 0.00 H new ATOM 451 N LEU A 139 -6.302 -9.233 4.895 1.00 0.00 N ATOM 452 CA LEU A 139 -7.753 -9.228 4.868 1.00 0.00 C ATOM 453 C LEU A 139 -8.296 -10.155 3.790 1.00 0.00 C ATOM 454 O LEU A 139 -7.870 -10.111 2.639 1.00 0.00 O ATOM 455 CB LEU A 139 -8.248 -7.801 4.638 1.00 0.00 C ATOM 456 CG LEU A 139 -9.583 -7.655 3.900 1.00 0.00 C ATOM 457 CD1 LEU A 139 -10.743 -8.113 4.774 1.00 0.00 C ATOM 458 CD2 LEU A 139 -9.795 -6.215 3.459 1.00 0.00 C ATOM 0 H LEU A 139 -5.865 -8.771 4.097 1.00 0.00 H new ATOM 0 HA LEU A 139 -8.117 -9.595 5.827 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -8.337 -7.310 5.607 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -7.486 -7.261 4.076 1.00 0.00 H new ATOM 0 HG LEU A 139 -9.548 -8.291 3.016 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -11.678 -7.999 4.226 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -10.605 -9.160 5.042 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -10.777 -7.508 5.680 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -10.748 -6.131 2.937 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -9.802 -5.564 4.333 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -8.987 -5.917 2.791 1.00 0.00 H new ATOM 815 N VAL B 8 -0.171 -4.923 -13.433 1.00 0.00 N ATOM 816 CA VAL B 8 -0.228 -3.796 -12.518 1.00 0.00 C ATOM 817 C VAL B 8 -1.672 -3.364 -12.300 1.00 0.00 C ATOM 818 O VAL B 8 -2.255 -2.654 -13.118 1.00 0.00 O ATOM 819 CB VAL B 8 0.597 -2.596 -13.028 1.00 0.00 C ATOM 820 CG1 VAL B 8 0.725 -1.539 -11.943 1.00 0.00 C ATOM 821 CG2 VAL B 8 1.971 -3.048 -13.500 1.00 0.00 C ATOM 0 HA VAL B 8 0.205 -4.126 -11.574 1.00 0.00 H new ATOM 0 HB VAL B 8 0.073 -2.157 -13.877 1.00 0.00 H new ATOM 0 HG11 VAL B 8 1.310 -0.700 -12.320 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -0.267 -1.190 -11.656 1.00 0.00 H new ATOM 0 HG13 VAL B 8 1.224 -1.968 -11.074 1.00 0.00 H new ATOM 0 HG21 VAL B 8 2.535 -2.186 -13.855 1.00 0.00 H new ATOM 0 HG22 VAL B 8 2.505 -3.515 -12.672 1.00 0.00 H new ATOM 0 HG23 VAL B 8 1.859 -3.767 -14.311 1.00 0.00 H new ATOM 831 N LEU B 9 -2.229 -3.815 -11.192 1.00 0.00 N ATOM 832 CA LEU B 9 -3.598 -3.514 -10.821 1.00 0.00 C ATOM 833 C LEU B 9 -3.745 -2.051 -10.431 1.00 0.00 C ATOM 834 O LEU B 9 -4.699 -1.382 -10.821 1.00 0.00 O ATOM 835 CB LEU B 9 -4.011 -4.396 -9.645 1.00 0.00 C ATOM 836 CG LEU B 9 -3.792 -5.900 -9.840 1.00 0.00 C ATOM 837 CD1 LEU B 9 -4.153 -6.659 -8.575 1.00 0.00 C ATOM 838 CD2 LEU B 9 -4.600 -6.421 -11.018 1.00 0.00 C ATOM 0 H LEU B 9 -1.740 -4.405 -10.519 1.00 0.00 H new ATOM 0 HA LEU B 9 -4.241 -3.711 -11.679 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -3.457 -4.077 -8.762 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -5.067 -4.224 -9.438 1.00 0.00 H new ATOM 0 HG LEU B 9 -2.736 -6.061 -10.055 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -3.991 -7.725 -8.732 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -3.526 -6.314 -7.752 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -5.201 -6.483 -8.332 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -4.426 -7.491 -11.134 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -5.660 -6.243 -10.839 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -4.294 -5.903 -11.927 1.00 0.00 H new ATOM 850 N LEU B 10 -2.793 -1.564 -9.654 1.00 0.00 N ATOM 851 CA LEU B 10 -2.826 -0.184 -9.199 1.00 0.00 C ATOM 852 C LEU B 10 -1.507 0.534 -9.448 1.00 0.00 C ATOM 853 O LEU B 10 -0.440 0.045 -9.079 1.00 0.00 O ATOM 854 CB LEU B 10 -3.180 -0.114 -7.718 1.00 0.00 C ATOM 855 CG LEU B 10 -3.732 1.237 -7.265 1.00 0.00 C ATOM 856 CD1 LEU B 10 -5.087 1.501 -7.900 1.00 0.00 C ATOM 857 CD2 LEU B 10 -3.833 1.298 -5.750 1.00 0.00 C ATOM 0 H LEU B 10 -1.990 -2.101 -9.326 1.00 0.00 H new ATOM 0 HA LEU B 10 -3.597 0.323 -9.780 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -3.916 -0.887 -7.496 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -2.290 -0.344 -7.133 1.00 0.00 H new ATOM 0 HG LEU B 10 -3.040 2.013 -7.592 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -5.464 2.468 -7.565 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -4.985 1.507 -8.985 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -5.786 0.718 -7.606 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -4.228 2.269 -5.450 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -4.499 0.511 -5.398 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -2.844 1.159 -5.314 1.00 0.00 H new ATOM 869 N ILE B 11 -1.594 1.694 -10.087 1.00 0.00 N ATOM 870 CA ILE B 11 -0.419 2.504 -10.361 1.00 0.00 C ATOM 871 C ILE B 11 -0.457 3.751 -9.498 1.00 0.00 C ATOM 872 O ILE B 11 -1.257 4.655 -9.725 1.00 0.00 O ATOM 873 CB ILE B 11 -0.317 2.919 -11.847 1.00 0.00 C ATOM 874 CG1 ILE B 11 -0.350 1.682 -12.750 1.00 0.00 C ATOM 875 CG2 ILE B 11 0.957 3.724 -12.084 1.00 0.00 C ATOM 876 CD1 ILE B 11 -0.187 1.993 -14.223 1.00 0.00 C ATOM 0 H ILE B 11 -2.469 2.094 -10.425 1.00 0.00 H new ATOM 0 HA ILE B 11 0.456 1.897 -10.129 1.00 0.00 H new ATOM 0 HB ILE B 11 -1.173 3.547 -12.095 1.00 0.00 H new ATOM 0 HG12 ILE B 11 0.442 0.999 -12.443 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -1.296 1.161 -12.601 1.00 0.00 H new ATOM 0 HG21 ILE B 11 1.017 4.010 -13.134 1.00 0.00 H new ATOM 0 HG22 ILE B 11 0.942 4.620 -11.464 1.00 0.00 H new ATOM 0 HG23 ILE B 11 1.824 3.118 -11.823 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -0.221 1.067 -14.796 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -0.994 2.650 -14.547 1.00 0.00 H new ATOM 0 HD13 ILE B 11 0.771 2.486 -14.387 1.00 0.00 H new ATOM 888 N VAL B 12 0.408 3.780 -8.505 1.00 0.00 N ATOM 889 CA VAL B 12 0.493 4.899 -7.589 1.00 0.00 C ATOM 890 C VAL B 12 1.617 5.822 -8.025 1.00 0.00 C ATOM 891 O VAL B 12 2.672 5.361 -8.468 1.00 0.00 O ATOM 892 CB VAL B 12 0.737 4.412 -6.149 1.00 0.00 C ATOM 893 CG1 VAL B 12 0.441 5.512 -5.143 1.00 0.00 C ATOM 894 CG2 VAL B 12 -0.103 3.178 -5.863 1.00 0.00 C ATOM 0 H VAL B 12 1.071 3.030 -8.310 1.00 0.00 H new ATOM 0 HA VAL B 12 -0.453 5.440 -7.607 1.00 0.00 H new ATOM 0 HB VAL B 12 1.790 4.147 -6.050 1.00 0.00 H new ATOM 0 HG11 VAL B 12 0.622 5.141 -4.134 1.00 0.00 H new ATOM 0 HG12 VAL B 12 1.089 6.366 -5.337 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -0.601 5.819 -5.235 1.00 0.00 H new ATOM 0 HG21 VAL B 12 0.078 2.843 -4.842 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -1.159 3.421 -5.983 1.00 0.00 H new ATOM 0 HG23 VAL B 12 0.168 2.384 -6.559 1.00 0.00 H new ATOM 904 N LYS B 13 1.395 7.115 -7.914 1.00 0.00 N ATOM 905 CA LYS B 13 2.397 8.083 -8.328 1.00 0.00 C ATOM 906 C LYS B 13 3.154 8.660 -7.141 1.00 0.00 C ATOM 907 O LYS B 13 2.807 8.398 -5.993 1.00 0.00 O ATOM 908 CB LYS B 13 1.749 9.202 -9.146 1.00 0.00 C ATOM 909 CG LYS B 13 1.121 8.715 -10.445 1.00 0.00 C ATOM 910 CD LYS B 13 2.098 7.878 -11.261 1.00 0.00 C ATOM 911 CE LYS B 13 3.086 8.748 -12.020 1.00 0.00 C ATOM 912 NZ LYS B 13 4.465 8.192 -11.978 1.00 0.00 N ATOM 0 H LYS B 13 0.536 7.521 -7.543 1.00 0.00 H new ATOM 0 HA LYS B 13 3.121 7.560 -8.952 1.00 0.00 H new ATOM 0 HB2 LYS B 13 0.984 9.688 -8.541 1.00 0.00 H new ATOM 0 HB3 LYS B 13 2.501 9.957 -9.375 1.00 0.00 H new ATOM 0 HG2 LYS B 13 0.233 8.124 -10.221 1.00 0.00 H new ATOM 0 HG3 LYS B 13 0.794 9.571 -11.035 1.00 0.00 H new ATOM 0 HD2 LYS B 13 2.641 7.204 -10.599 1.00 0.00 H new ATOM 0 HD3 LYS B 13 1.545 7.256 -11.965 1.00 0.00 H new ATOM 0 HE2 LYS B 13 2.764 8.842 -13.057 1.00 0.00 H new ATOM 0 HE3 LYS B 13 3.087 9.752 -11.595 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 5.107 8.816 -12.508 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 4.783 8.126 -10.990 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 4.471 7.245 -12.407 1.00 0.00 H new ATOM 926 N LYS B 14 4.146 9.494 -7.468 1.00 0.00 N ATOM 927 CA LYS B 14 5.042 10.166 -6.520 1.00 0.00 C ATOM 928 C LYS B 14 5.047 9.573 -5.107 1.00 0.00 C ATOM 929 O LYS B 14 4.526 10.162 -4.159 1.00 0.00 O ATOM 930 CB LYS B 14 4.675 11.643 -6.464 1.00 0.00 C ATOM 931 CG LYS B 14 5.076 12.411 -7.711 1.00 0.00 C ATOM 932 CD LYS B 14 3.933 13.265 -8.237 1.00 0.00 C ATOM 933 CE LYS B 14 3.817 14.579 -7.483 1.00 0.00 C ATOM 934 NZ LYS B 14 2.995 14.439 -6.255 1.00 0.00 N ATOM 0 H LYS B 14 4.356 9.729 -8.438 1.00 0.00 H new ATOM 0 HA LYS B 14 6.055 10.017 -6.894 1.00 0.00 H new ATOM 0 HB2 LYS B 14 3.599 11.737 -6.318 1.00 0.00 H new ATOM 0 HB3 LYS B 14 5.155 12.097 -5.597 1.00 0.00 H new ATOM 0 HG2 LYS B 14 5.932 13.047 -7.487 1.00 0.00 H new ATOM 0 HG3 LYS B 14 5.393 11.711 -8.484 1.00 0.00 H new ATOM 0 HD2 LYS B 14 4.088 13.467 -9.297 1.00 0.00 H new ATOM 0 HD3 LYS B 14 2.997 12.713 -8.151 1.00 0.00 H new ATOM 0 HE2 LYS B 14 4.812 14.934 -7.216 1.00 0.00 H new ATOM 0 HE3 LYS B 14 3.374 15.333 -8.133 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 2.614 15.368 -5.985 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 2.210 13.782 -6.436 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 3.585 14.069 -5.483 1.00 0.00 H new ATOM 948 N VAL B 15 5.658 8.405 -4.994 1.00 0.00 N ATOM 949 CA VAL B 15 5.802 7.707 -3.729 1.00 0.00 C ATOM 950 C VAL B 15 7.269 7.745 -3.322 1.00 0.00 C ATOM 951 O VAL B 15 8.115 7.159 -3.994 1.00 0.00 O ATOM 952 CB VAL B 15 5.350 6.231 -3.828 1.00 0.00 C ATOM 953 CG1 VAL B 15 5.571 5.502 -2.512 1.00 0.00 C ATOM 954 CG2 VAL B 15 3.894 6.136 -4.245 1.00 0.00 C ATOM 0 H VAL B 15 6.071 7.911 -5.785 1.00 0.00 H new ATOM 0 HA VAL B 15 5.170 8.202 -2.991 1.00 0.00 H new ATOM 0 HB VAL B 15 5.960 5.750 -4.593 1.00 0.00 H new ATOM 0 HG11 VAL B 15 5.245 4.467 -2.610 1.00 0.00 H new ATOM 0 HG12 VAL B 15 6.630 5.526 -2.256 1.00 0.00 H new ATOM 0 HG13 VAL B 15 4.997 5.990 -1.725 1.00 0.00 H new ATOM 0 HG21 VAL B 15 3.601 5.088 -4.307 1.00 0.00 H new ATOM 0 HG22 VAL B 15 3.271 6.644 -3.509 1.00 0.00 H new ATOM 0 HG23 VAL B 15 3.763 6.608 -5.219 1.00 0.00 H new ATOM 964 N ARG B 16 7.574 8.448 -2.248 1.00 0.00 N ATOM 965 CA ARG B 16 8.944 8.561 -1.789 1.00 0.00 C ATOM 966 C ARG B 16 9.291 7.467 -0.798 1.00 0.00 C ATOM 967 O ARG B 16 8.567 7.232 0.163 1.00 0.00 O ATOM 968 CB ARG B 16 9.196 9.922 -1.139 1.00 0.00 C ATOM 969 CG ARG B 16 9.174 11.082 -2.115 1.00 0.00 C ATOM 970 CD ARG B 16 9.846 12.312 -1.529 1.00 0.00 C ATOM 971 NE ARG B 16 11.288 12.321 -1.771 1.00 0.00 N ATOM 972 CZ ARG B 16 11.855 12.827 -2.868 1.00 0.00 C ATOM 973 NH1 ARG B 16 11.103 13.375 -3.809 1.00 0.00 N ATOM 974 NH2 ARG B 16 13.170 12.786 -3.024 1.00 0.00 N ATOM 0 H ARG B 16 6.892 8.949 -1.678 1.00 0.00 H new ATOM 0 HA ARG B 16 9.580 8.457 -2.668 1.00 0.00 H new ATOM 0 HB2 ARG B 16 8.442 10.092 -0.371 1.00 0.00 H new ATOM 0 HB3 ARG B 16 10.163 9.900 -0.637 1.00 0.00 H new ATOM 0 HG2 ARG B 16 9.679 10.794 -3.037 1.00 0.00 H new ATOM 0 HG3 ARG B 16 8.143 11.319 -2.378 1.00 0.00 H new ATOM 0 HD2 ARG B 16 9.401 13.208 -1.962 1.00 0.00 H new ATOM 0 HD3 ARG B 16 9.659 12.350 -0.456 1.00 0.00 H new ATOM 0 HE ARG B 16 11.897 11.917 -1.059 1.00 0.00 H new ATOM 0 HH11 ARG B 16 10.090 13.411 -3.696 1.00 0.00 H new ATOM 0 HH12 ARG B 16 11.536 13.762 -4.647 1.00 0.00 H new ATOM 0 HH21 ARG B 16 13.756 12.366 -2.303 1.00 0.00 H new ATOM 0 HH22 ARG B 16 13.596 13.175 -3.865 1.00 0.00 H new ATOM 988 N GLN B 17 10.384 6.785 -1.058 1.00 0.00 N ATOM 989 CA GLN B 17 10.865 5.755 -0.164 1.00 0.00 C ATOM 990 C GLN B 17 12.297 6.110 0.215 1.00 0.00 C ATOM 991 O GLN B 17 13.160 6.254 -0.647 1.00 0.00 O ATOM 992 CB GLN B 17 10.736 4.351 -0.797 1.00 0.00 C ATOM 993 CG GLN B 17 11.932 3.887 -1.616 1.00 0.00 C ATOM 994 CD GLN B 17 12.917 3.071 -0.800 1.00 0.00 C ATOM 995 OE1 GLN B 17 12.538 2.363 0.131 1.00 0.00 O ATOM 996 NE2 GLN B 17 14.194 3.167 -1.139 1.00 0.00 N ATOM 0 H GLN B 17 10.960 6.927 -1.888 1.00 0.00 H new ATOM 0 HA GLN B 17 10.257 5.712 0.740 1.00 0.00 H new ATOM 0 HB2 GLN B 17 10.561 3.628 -0.001 1.00 0.00 H new ATOM 0 HB3 GLN B 17 9.854 4.340 -1.437 1.00 0.00 H new ATOM 0 HG2 GLN B 17 11.581 3.290 -2.458 1.00 0.00 H new ATOM 0 HG3 GLN B 17 12.442 4.756 -2.032 1.00 0.00 H new ATOM 0 HE21 GLN B 17 14.471 3.765 -1.918 1.00 0.00 H new ATOM 0 HE22 GLN B 17 14.900 2.643 -0.621 1.00 0.00 H new ATOM 1005 N LYS B 18 12.518 6.340 1.495 1.00 0.00 N ATOM 1006 CA LYS B 18 13.828 6.718 2.004 1.00 0.00 C ATOM 1007 C LYS B 18 14.316 8.004 1.334 1.00 0.00 C ATOM 1008 O LYS B 18 15.446 8.089 0.850 1.00 0.00 O ATOM 1009 CB LYS B 18 14.847 5.588 1.839 1.00 0.00 C ATOM 1010 CG LYS B 18 15.767 5.428 3.045 1.00 0.00 C ATOM 1011 CD LYS B 18 14.987 5.087 4.312 1.00 0.00 C ATOM 1012 CE LYS B 18 14.625 6.330 5.115 1.00 0.00 C ATOM 1013 NZ LYS B 18 15.715 6.726 6.043 1.00 0.00 N ATOM 0 H LYS B 18 11.797 6.271 2.213 1.00 0.00 H new ATOM 0 HA LYS B 18 13.727 6.906 3.073 1.00 0.00 H new ATOM 0 HB2 LYS B 18 14.317 4.651 1.668 1.00 0.00 H new ATOM 0 HB3 LYS B 18 15.451 5.779 0.952 1.00 0.00 H new ATOM 0 HG2 LYS B 18 16.496 4.643 2.844 1.00 0.00 H new ATOM 0 HG3 LYS B 18 16.327 6.350 3.200 1.00 0.00 H new ATOM 0 HD2 LYS B 18 14.076 4.552 4.043 1.00 0.00 H new ATOM 0 HD3 LYS B 18 15.580 4.415 4.932 1.00 0.00 H new ATOM 0 HE2 LYS B 18 14.411 7.153 4.433 1.00 0.00 H new ATOM 0 HE3 LYS B 18 13.714 6.143 5.684 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 15.430 7.576 6.571 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 15.902 5.950 6.710 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 16.577 6.930 5.499 1.00 0.00 H new ATOM 1027 N LYS B 19 13.415 8.985 1.294 1.00 0.00 N ATOM 1028 CA LYS B 19 13.680 10.320 0.746 1.00 0.00 C ATOM 1029 C LYS B 19 13.904 10.339 -0.770 1.00 0.00 C ATOM 1030 O LYS B 19 14.535 11.260 -1.287 1.00 0.00 O ATOM 1031 CB LYS B 19 14.872 10.980 1.459 1.00 0.00 C ATOM 1032 CG LYS B 19 14.771 10.963 2.980 1.00 0.00 C ATOM 1033 CD LYS B 19 13.342 11.176 3.455 1.00 0.00 C ATOM 1034 CE LYS B 19 12.965 10.176 4.529 1.00 0.00 C ATOM 1035 NZ LYS B 19 13.269 10.681 5.882 1.00 0.00 N ATOM 0 H LYS B 19 12.464 8.875 1.647 1.00 0.00 H new ATOM 0 HA LYS B 19 12.772 10.894 0.932 1.00 0.00 H new ATOM 0 HB2 LYS B 19 15.788 10.471 1.160 1.00 0.00 H new ATOM 0 HB3 LYS B 19 14.957 12.013 1.122 1.00 0.00 H new ATOM 0 HG2 LYS B 19 15.141 10.010 3.358 1.00 0.00 H new ATOM 0 HG3 LYS B 19 15.412 11.741 3.395 1.00 0.00 H new ATOM 0 HD2 LYS B 19 13.232 12.189 3.843 1.00 0.00 H new ATOM 0 HD3 LYS B 19 12.658 11.082 2.611 1.00 0.00 H new ATOM 0 HE2 LYS B 19 11.901 9.949 4.457 1.00 0.00 H new ATOM 0 HE3 LYS B 19 13.502 9.243 4.361 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 12.997 9.968 6.588 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 14.288 10.874 5.960 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 12.737 11.558 6.053 1.00 0.00 H new ATOM 1049 N GLN B 20 13.368 9.365 -1.494 1.00 0.00 N ATOM 1050 CA GLN B 20 13.516 9.351 -2.949 1.00 0.00 C ATOM 1051 C GLN B 20 12.166 9.077 -3.610 1.00 0.00 C ATOM 1052 O GLN B 20 11.461 8.143 -3.236 1.00 0.00 O ATOM 1053 CB GLN B 20 14.588 8.343 -3.397 1.00 0.00 C ATOM 1054 CG GLN B 20 14.167 6.886 -3.316 1.00 0.00 C ATOM 1055 CD GLN B 20 15.282 5.974 -2.840 1.00 0.00 C ATOM 1056 OE1 GLN B 20 15.380 4.823 -3.263 1.00 0.00 O ATOM 1057 NE2 GLN B 20 16.113 6.470 -1.935 1.00 0.00 N ATOM 0 H GLN B 20 12.835 8.585 -1.109 1.00 0.00 H new ATOM 0 HA GLN B 20 13.859 10.334 -3.272 1.00 0.00 H new ATOM 0 HB2 GLN B 20 14.871 8.568 -4.425 1.00 0.00 H new ATOM 0 HB3 GLN B 20 15.478 8.484 -2.784 1.00 0.00 H new ATOM 0 HG2 GLN B 20 13.317 6.796 -2.639 1.00 0.00 H new ATOM 0 HG3 GLN B 20 13.829 6.556 -4.298 1.00 0.00 H new ATOM 0 HE21 GLN B 20 15.999 7.430 -1.609 1.00 0.00 H new ATOM 0 HE22 GLN B 20 16.867 5.892 -1.564 1.00 0.00 H new ATOM 1066 N ASP B 21 11.800 9.918 -4.573 1.00 0.00 N ATOM 1067 CA ASP B 21 10.516 9.788 -5.260 1.00 0.00 C ATOM 1068 C ASP B 21 10.511 8.653 -6.263 1.00 0.00 C ATOM 1069 O ASP B 21 11.534 8.323 -6.865 1.00 0.00 O ATOM 1070 CB ASP B 21 10.131 11.089 -5.970 1.00 0.00 C ATOM 1071 CG ASP B 21 11.250 11.667 -6.812 1.00 0.00 C ATOM 1072 OD1 ASP B 21 12.114 12.371 -6.247 1.00 0.00 O ATOM 1073 OD2 ASP B 21 11.257 11.439 -8.036 1.00 0.00 O ATOM 0 H ASP B 21 12.373 10.697 -4.896 1.00 0.00 H new ATOM 0 HA ASP B 21 9.781 9.565 -4.487 1.00 0.00 H new ATOM 0 HB2 ASP B 21 9.265 10.905 -6.606 1.00 0.00 H new ATOM 0 HB3 ASP B 21 9.829 11.825 -5.225 1.00 0.00 H new ATOM 1078 N GLY B 22 9.341 8.064 -6.433 1.00 0.00 N ATOM 1079 CA GLY B 22 9.176 6.976 -7.358 1.00 0.00 C ATOM 1080 C GLY B 22 7.722 6.645 -7.586 1.00 0.00 C ATOM 1081 O GLY B 22 6.841 7.261 -7.001 1.00 0.00 O ATOM 0 H GLY B 22 8.491 8.329 -5.935 1.00 0.00 H new ATOM 0 HA2 GLY B 22 9.643 7.234 -8.309 1.00 0.00 H new ATOM 0 HA3 GLY B 22 9.693 6.095 -6.978 1.00 0.00 H new ATOM 1085 N ALA B 23 7.475 5.683 -8.444 1.00 0.00 N ATOM 1086 CA ALA B 23 6.129 5.252 -8.747 1.00 0.00 C ATOM 1087 C ALA B 23 5.901 3.879 -8.142 1.00 0.00 C ATOM 1088 O ALA B 23 6.787 3.023 -8.176 1.00 0.00 O ATOM 1089 CB ALA B 23 5.906 5.233 -10.248 1.00 0.00 C ATOM 0 H ALA B 23 8.201 5.177 -8.952 1.00 0.00 H new ATOM 0 HA ALA B 23 5.412 5.952 -8.317 1.00 0.00 H new ATOM 0 HB1 ALA B 23 4.888 4.906 -10.460 1.00 0.00 H new ATOM 0 HB2 ALA B 23 6.057 6.234 -10.651 1.00 0.00 H new ATOM 0 HB3 ALA B 23 6.612 4.545 -10.712 1.00 0.00 H new ATOM 1095 N LEU B 24 4.725 3.671 -7.587 1.00 0.00 N ATOM 1096 CA LEU B 24 4.411 2.408 -6.953 1.00 0.00 C ATOM 1097 C LEU B 24 3.510 1.585 -7.877 1.00 0.00 C ATOM 1098 O LEU B 24 2.358 1.941 -8.116 1.00 0.00 O ATOM 1099 CB LEU B 24 3.723 2.670 -5.611 1.00 0.00 C ATOM 1100 CG LEU B 24 3.996 1.638 -4.514 1.00 0.00 C ATOM 1101 CD1 LEU B 24 2.843 1.587 -3.525 1.00 0.00 C ATOM 1102 CD2 LEU B 24 4.271 0.264 -5.095 1.00 0.00 C ATOM 0 H LEU B 24 3.972 4.359 -7.562 1.00 0.00 H new ATOM 0 HA LEU B 24 5.326 1.844 -6.769 1.00 0.00 H new ATOM 0 HB2 LEU B 24 4.035 3.650 -5.249 1.00 0.00 H new ATOM 0 HB3 LEU B 24 2.647 2.720 -5.778 1.00 0.00 H new ATOM 0 HG LEU B 24 4.893 1.953 -3.981 1.00 0.00 H new ATOM 0 HD11 LEU B 24 3.058 0.847 -2.754 1.00 0.00 H new ATOM 0 HD12 LEU B 24 2.716 2.566 -3.063 1.00 0.00 H new ATOM 0 HD13 LEU B 24 1.927 1.311 -4.048 1.00 0.00 H new ATOM 0 HD21 LEU B 24 4.460 -0.442 -4.286 1.00 0.00 H new ATOM 0 HD22 LEU B 24 3.407 -0.067 -5.671 1.00 0.00 H new ATOM 0 HD23 LEU B 24 5.144 0.312 -5.746 1.00 0.00 H new ATOM 1114 N TYR B 25 4.042 0.490 -8.396 1.00 0.00 N ATOM 1115 CA TYR B 25 3.294 -0.367 -9.302 1.00 0.00 C ATOM 1116 C TYR B 25 2.840 -1.640 -8.600 1.00 0.00 C ATOM 1117 O TYR B 25 3.634 -2.553 -8.352 1.00 0.00 O ATOM 1118 CB TYR B 25 4.143 -0.715 -10.526 1.00 0.00 C ATOM 1119 CG TYR B 25 4.486 0.481 -11.386 1.00 0.00 C ATOM 1120 CD1 TYR B 25 3.625 0.910 -12.388 1.00 0.00 C ATOM 1121 CD2 TYR B 25 5.671 1.179 -11.197 1.00 0.00 C ATOM 1122 CE1 TYR B 25 3.934 2.002 -13.175 1.00 0.00 C ATOM 1123 CE2 TYR B 25 5.987 2.273 -11.980 1.00 0.00 C ATOM 1124 CZ TYR B 25 5.115 2.680 -12.967 1.00 0.00 C ATOM 1125 OH TYR B 25 5.425 3.772 -13.746 1.00 0.00 O ATOM 0 H TYR B 25 4.992 0.173 -8.205 1.00 0.00 H new ATOM 0 HA TYR B 25 2.408 0.178 -9.628 1.00 0.00 H new ATOM 0 HB2 TYR B 25 5.066 -1.190 -10.194 1.00 0.00 H new ATOM 0 HB3 TYR B 25 3.609 -1.446 -11.132 1.00 0.00 H new ATOM 0 HD1 TYR B 25 2.698 0.381 -12.554 1.00 0.00 H new ATOM 0 HD2 TYR B 25 6.357 0.862 -10.426 1.00 0.00 H new ATOM 0 HE1 TYR B 25 3.253 2.323 -13.950 1.00 0.00 H new ATOM 0 HE2 TYR B 25 6.912 2.806 -11.819 1.00 0.00 H new ATOM 0 HH TYR B 25 6.292 4.136 -13.469 1.00 0.00 H new ATOM 1135 N LEU B 26 1.561 -1.688 -8.277 1.00 0.00 N ATOM 1136 CA LEU B 26 0.978 -2.837 -7.612 1.00 0.00 C ATOM 1137 C LEU B 26 0.581 -3.899 -8.620 1.00 0.00 C ATOM 1138 O LEU B 26 -0.459 -3.787 -9.259 1.00 0.00 O ATOM 1139 CB LEU B 26 -0.262 -2.417 -6.821 1.00 0.00 C ATOM 1140 CG LEU B 26 0.008 -1.781 -5.464 1.00 0.00 C ATOM 1141 CD1 LEU B 26 -1.254 -1.154 -4.908 1.00 0.00 C ATOM 1142 CD2 LEU B 26 0.526 -2.821 -4.502 1.00 0.00 C ATOM 0 H LEU B 26 0.900 -0.935 -8.467 1.00 0.00 H new ATOM 0 HA LEU B 26 1.727 -3.247 -6.935 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -0.835 -1.713 -7.425 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -0.891 -3.295 -6.672 1.00 0.00 H new ATOM 0 HG LEU B 26 0.759 -1.001 -5.592 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -1.040 -0.705 -3.938 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -1.611 -0.385 -5.593 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.020 -1.920 -4.792 1.00 0.00 H new ATOM 0 HD21 LEU B 26 0.717 -2.358 -3.534 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -0.216 -3.611 -4.387 1.00 0.00 H new ATOM 0 HD23 LEU B 26 1.452 -3.246 -4.890 1.00 0.00 H new ATOM 1154 N MET B 27 1.408 -4.921 -8.773 1.00 0.00 N ATOM 1155 CA MET B 27 1.100 -6.005 -9.694 1.00 0.00 C ATOM 1156 C MET B 27 0.225 -7.021 -8.974 1.00 0.00 C ATOM 1157 O MET B 27 -0.260 -6.756 -7.872 1.00 0.00 O ATOM 1158 CB MET B 27 2.373 -6.674 -10.211 1.00 0.00 C ATOM 1159 CG MET B 27 3.356 -5.708 -10.846 1.00 0.00 C ATOM 1160 SD MET B 27 4.951 -6.474 -11.185 1.00 0.00 S ATOM 1161 CE MET B 27 5.949 -5.017 -11.477 1.00 0.00 C ATOM 0 H MET B 27 2.292 -5.023 -8.275 1.00 0.00 H new ATOM 0 HA MET B 27 0.572 -5.600 -10.557 1.00 0.00 H new ATOM 0 HB2 MET B 27 2.864 -7.187 -9.384 1.00 0.00 H new ATOM 0 HB3 MET B 27 2.101 -7.435 -10.942 1.00 0.00 H new ATOM 0 HG2 MET B 27 2.935 -5.325 -11.776 1.00 0.00 H new ATOM 0 HG3 MET B 27 3.500 -4.853 -10.185 1.00 0.00 H new ATOM 0 HE1 MET B 27 6.917 -5.136 -10.991 1.00 0.00 H new ATOM 0 HE2 MET B 27 6.095 -4.885 -12.549 1.00 0.00 H new ATOM 0 HE3 MET B 27 5.443 -4.142 -11.069 1.00 0.00 H new ATOM 1171 N ALA B 28 0.028 -8.178 -9.577 1.00 0.00 N ATOM 1172 CA ALA B 28 -0.791 -9.205 -8.962 1.00 0.00 C ATOM 1173 C ALA B 28 0.037 -10.073 -8.019 1.00 0.00 C ATOM 1174 O ALA B 28 -0.318 -10.257 -6.859 1.00 0.00 O ATOM 1175 CB ALA B 28 -1.454 -10.061 -10.029 1.00 0.00 C ATOM 0 H ALA B 28 0.420 -8.429 -10.484 1.00 0.00 H new ATOM 0 HA ALA B 28 -1.567 -8.715 -8.375 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -2.065 -10.827 -9.553 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -2.084 -9.434 -10.659 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -0.688 -10.537 -10.642 1.00 0.00 H new ATOM 1181 N GLU B 29 1.163 -10.570 -8.515 1.00 0.00 N ATOM 1182 CA GLU B 29 2.026 -11.444 -7.730 1.00 0.00 C ATOM 1183 C GLU B 29 2.891 -10.679 -6.733 1.00 0.00 C ATOM 1184 O GLU B 29 3.226 -11.200 -5.665 1.00 0.00 O ATOM 1185 CB GLU B 29 2.920 -12.259 -8.661 1.00 0.00 C ATOM 1186 CG GLU B 29 2.216 -13.444 -9.295 1.00 0.00 C ATOM 1187 CD GLU B 29 2.103 -14.625 -8.355 1.00 0.00 C ATOM 1188 OE1 GLU B 29 3.077 -14.904 -7.623 1.00 0.00 O ATOM 1189 OE2 GLU B 29 1.043 -15.282 -8.343 1.00 0.00 O ATOM 0 H GLU B 29 1.501 -10.382 -9.459 1.00 0.00 H new ATOM 0 HA GLU B 29 1.375 -12.103 -7.155 1.00 0.00 H new ATOM 0 HB2 GLU B 29 3.299 -11.608 -9.449 1.00 0.00 H new ATOM 0 HB3 GLU B 29 3.783 -12.617 -8.100 1.00 0.00 H new ATOM 0 HG2 GLU B 29 1.219 -13.141 -9.614 1.00 0.00 H new ATOM 0 HG3 GLU B 29 2.758 -13.748 -10.190 1.00 0.00 H new ATOM 1196 N ARG B 30 3.253 -9.445 -7.058 1.00 0.00 N ATOM 1197 CA ARG B 30 4.104 -8.672 -6.165 1.00 0.00 C ATOM 1198 C ARG B 30 3.959 -7.171 -6.376 1.00 0.00 C ATOM 1199 O ARG B 30 3.463 -6.717 -7.405 1.00 0.00 O ATOM 1200 CB ARG B 30 5.571 -9.084 -6.346 1.00 0.00 C ATOM 1201 CG ARG B 30 6.257 -8.470 -7.556 1.00 0.00 C ATOM 1202 CD ARG B 30 5.816 -9.121 -8.852 1.00 0.00 C ATOM 1203 NE ARG B 30 6.053 -10.564 -8.861 1.00 0.00 N ATOM 1204 CZ ARG B 30 6.134 -11.282 -9.978 1.00 0.00 C ATOM 1205 NH1 ARG B 30 6.063 -10.676 -11.149 1.00 0.00 N ATOM 1206 NH2 ARG B 30 6.295 -12.598 -9.923 1.00 0.00 N ATOM 0 H ARG B 30 2.977 -8.966 -7.915 1.00 0.00 H new ATOM 0 HA ARG B 30 3.781 -8.890 -5.147 1.00 0.00 H new ATOM 0 HB2 ARG B 30 6.126 -8.805 -5.450 1.00 0.00 H new ATOM 0 HB3 ARG B 30 5.622 -10.170 -6.428 1.00 0.00 H new ATOM 0 HG2 ARG B 30 6.038 -7.403 -7.594 1.00 0.00 H new ATOM 0 HG3 ARG B 30 7.337 -8.570 -7.450 1.00 0.00 H new ATOM 0 HD2 ARG B 30 4.755 -8.929 -9.009 1.00 0.00 H new ATOM 0 HD3 ARG B 30 6.349 -8.663 -9.685 1.00 0.00 H new ATOM 0 HE ARG B 30 6.161 -11.043 -7.967 1.00 0.00 H new ATOM 0 HH11 ARG B 30 5.947 -9.664 -11.193 1.00 0.00 H new ATOM 0 HH12 ARG B 30 6.124 -11.220 -12.009 1.00 0.00 H new ATOM 0 HH21 ARG B 30 6.358 -13.067 -9.019 1.00 0.00 H new ATOM 0 HH22 ARG B 30 6.356 -13.141 -10.784 1.00 0.00 H new ATOM 1220 N ILE B 31 4.399 -6.418 -5.384 1.00 0.00 N ATOM 1221 CA ILE B 31 4.362 -4.969 -5.426 1.00 0.00 C ATOM 1222 C ILE B 31 5.755 -4.454 -5.784 1.00 0.00 C ATOM 1223 O ILE B 31 6.741 -4.833 -5.152 1.00 0.00 O ATOM 1224 CB ILE B 31 3.886 -4.380 -4.071 1.00 0.00 C ATOM 1225 CG1 ILE B 31 4.227 -2.894 -3.964 1.00 0.00 C ATOM 1226 CG2 ILE B 31 4.485 -5.148 -2.898 1.00 0.00 C ATOM 1227 CD1 ILE B 31 3.735 -2.248 -2.686 1.00 0.00 C ATOM 0 H ILE B 31 4.794 -6.797 -4.523 1.00 0.00 H new ATOM 0 HA ILE B 31 3.647 -4.648 -6.183 1.00 0.00 H new ATOM 0 HB ILE B 31 2.802 -4.485 -4.032 1.00 0.00 H new ATOM 0 HG12 ILE B 31 5.308 -2.773 -4.029 1.00 0.00 H new ATOM 0 HG13 ILE B 31 3.795 -2.369 -4.816 1.00 0.00 H new ATOM 0 HG21 ILE B 31 4.134 -4.714 -1.962 1.00 0.00 H new ATOM 0 HG22 ILE B 31 4.177 -6.192 -2.951 1.00 0.00 H new ATOM 0 HG23 ILE B 31 5.572 -5.088 -2.941 1.00 0.00 H new ATOM 0 HD11 ILE B 31 4.013 -1.194 -2.680 1.00 0.00 H new ATOM 0 HD12 ILE B 31 2.650 -2.337 -2.628 1.00 0.00 H new ATOM 0 HD13 ILE B 31 4.187 -2.747 -1.829 1.00 0.00 H new ATOM 1239 N ALA B 32 5.848 -3.628 -6.814 1.00 0.00 N ATOM 1240 CA ALA B 32 7.139 -3.109 -7.243 1.00 0.00 C ATOM 1241 C ALA B 32 7.174 -1.589 -7.213 1.00 0.00 C ATOM 1242 O ALA B 32 6.163 -0.928 -7.441 1.00 0.00 O ATOM 1243 CB ALA B 32 7.472 -3.617 -8.634 1.00 0.00 C ATOM 0 H ALA B 32 5.053 -3.304 -7.365 1.00 0.00 H new ATOM 0 HA ALA B 32 7.891 -3.469 -6.540 1.00 0.00 H new ATOM 0 HB1 ALA B 32 8.440 -3.222 -8.944 1.00 0.00 H new ATOM 0 HB2 ALA B 32 7.511 -4.706 -8.624 1.00 0.00 H new ATOM 0 HB3 ALA B 32 6.705 -3.288 -9.335 1.00 0.00 H new ATOM 1249 N TRP B 33 8.348 -1.048 -6.941 1.00 0.00 N ATOM 1250 CA TRP B 33 8.537 0.388 -6.872 1.00 0.00 C ATOM 1251 C TRP B 33 9.766 0.797 -7.688 1.00 0.00 C ATOM 1252 O TRP B 33 10.767 0.073 -7.727 1.00 0.00 O ATOM 1253 CB TRP B 33 8.687 0.819 -5.407 1.00 0.00 C ATOM 1254 CG TRP B 33 8.869 2.294 -5.217 1.00 0.00 C ATOM 1255 CD1 TRP B 33 7.895 3.226 -4.998 1.00 0.00 C ATOM 1256 CD2 TRP B 33 10.109 3.005 -5.226 1.00 0.00 C ATOM 1257 NE1 TRP B 33 8.458 4.473 -4.876 1.00 0.00 N ATOM 1258 CE2 TRP B 33 9.816 4.361 -5.014 1.00 0.00 C ATOM 1259 CE3 TRP B 33 11.439 2.621 -5.397 1.00 0.00 C ATOM 1260 CZ2 TRP B 33 10.805 5.336 -4.969 1.00 0.00 C ATOM 1261 CZ3 TRP B 33 12.422 3.589 -5.352 1.00 0.00 C ATOM 1262 CH2 TRP B 33 12.100 4.933 -5.141 1.00 0.00 C ATOM 0 H TRP B 33 9.193 -1.590 -6.763 1.00 0.00 H new ATOM 0 HA TRP B 33 7.666 0.888 -7.295 1.00 0.00 H new ATOM 0 HB2 TRP B 33 7.804 0.499 -4.853 1.00 0.00 H new ATOM 0 HB3 TRP B 33 9.541 0.300 -4.973 1.00 0.00 H new ATOM 0 HD1 TRP B 33 6.838 3.014 -4.931 1.00 0.00 H new ATOM 0 HE1 TRP B 33 7.948 5.341 -4.710 1.00 0.00 H new ATOM 0 HE3 TRP B 33 11.695 1.585 -5.562 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 10.560 6.375 -4.804 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 13.456 3.304 -5.482 1.00 0.00 H new ATOM 0 HH2 TRP B 33 12.891 5.668 -5.113 1.00 0.00 H new ATOM 1273 N ALA B 34 9.675 1.948 -8.341 1.00 0.00 N ATOM 1274 CA ALA B 34 10.763 2.474 -9.159 1.00 0.00 C ATOM 1275 C ALA B 34 10.763 3.995 -9.101 1.00 0.00 C ATOM 1276 O ALA B 34 9.701 4.597 -9.123 1.00 0.00 O ATOM 1277 CB ALA B 34 10.612 2.008 -10.600 1.00 0.00 C ATOM 0 H ALA B 34 8.847 2.543 -8.320 1.00 0.00 H new ATOM 0 HA ALA B 34 11.710 2.101 -8.769 1.00 0.00 H new ATOM 0 HB1 ALA B 34 11.430 2.408 -11.199 1.00 0.00 H new ATOM 0 HB2 ALA B 34 10.635 0.919 -10.634 1.00 0.00 H new ATOM 0 HB3 ALA B 34 9.662 2.363 -11.000 1.00 0.00 H new ATOM 1283 N PRO B 35 11.945 4.636 -9.029 1.00 0.00 N ATOM 1284 CA PRO B 35 12.054 6.105 -8.960 1.00 0.00 C ATOM 1285 C PRO B 35 11.297 6.807 -10.090 1.00 0.00 C ATOM 1286 O PRO B 35 11.255 6.307 -11.218 1.00 0.00 O ATOM 1287 CB PRO B 35 13.559 6.355 -9.082 1.00 0.00 C ATOM 1288 CG PRO B 35 14.188 5.098 -8.592 1.00 0.00 C ATOM 1289 CD PRO B 35 13.268 3.989 -9.020 1.00 0.00 C ATOM 0 HA PRO B 35 11.615 6.501 -8.044 1.00 0.00 H new ATOM 0 HB2 PRO B 35 13.844 6.565 -10.113 1.00 0.00 H new ATOM 0 HB3 PRO B 35 13.868 7.213 -8.484 1.00 0.00 H new ATOM 0 HG2 PRO B 35 15.183 4.967 -9.017 1.00 0.00 H new ATOM 0 HG3 PRO B 35 14.303 5.115 -7.508 1.00 0.00 H new ATOM 0 HD2 PRO B 35 13.534 3.602 -10.004 1.00 0.00 H new ATOM 0 HD3 PRO B 35 13.301 3.148 -8.327 1.00 0.00 H new ATOM 1411 N ILE B 43 12.829 -1.851 -6.569 1.00 0.00 N ATOM 1412 CA ILE B 43 12.406 -2.689 -5.454 1.00 0.00 C ATOM 1413 C ILE B 43 11.134 -3.458 -5.794 1.00 0.00 C ATOM 1414 O ILE B 43 10.247 -2.934 -6.465 1.00 0.00 O ATOM 1415 CB ILE B 43 12.156 -1.842 -4.188 1.00 0.00 C ATOM 1416 CG1 ILE B 43 13.186 -0.712 -4.080 1.00 0.00 C ATOM 1417 CG2 ILE B 43 12.210 -2.724 -2.951 1.00 0.00 C ATOM 1418 CD1 ILE B 43 12.947 0.216 -2.910 1.00 0.00 C ATOM 0 HA ILE B 43 13.213 -3.397 -5.262 1.00 0.00 H new ATOM 0 HB ILE B 43 11.164 -1.395 -4.261 1.00 0.00 H new ATOM 0 HG12 ILE B 43 14.182 -1.147 -3.991 1.00 0.00 H new ATOM 0 HG13 ILE B 43 13.173 -0.131 -5.002 1.00 0.00 H new ATOM 0 HG21 ILE B 43 12.032 -2.117 -2.063 1.00 0.00 H new ATOM 0 HG22 ILE B 43 11.444 -3.497 -3.021 1.00 0.00 H new ATOM 0 HG23 ILE B 43 13.192 -3.192 -2.880 1.00 0.00 H new ATOM 0 HD11 ILE B 43 13.714 0.990 -2.897 1.00 0.00 H new ATOM 0 HD12 ILE B 43 11.965 0.679 -3.008 1.00 0.00 H new ATOM 0 HD13 ILE B 43 12.989 -0.352 -1.981 1.00 0.00 H new ATOM 1430 N SER B 44 11.058 -4.707 -5.347 1.00 0.00 N ATOM 1431 CA SER B 44 9.897 -5.541 -5.593 1.00 0.00 C ATOM 1432 C SER B 44 9.680 -6.507 -4.425 1.00 0.00 C ATOM 1433 O SER B 44 10.608 -7.196 -4.003 1.00 0.00 O ATOM 1434 CB SER B 44 10.091 -6.317 -6.894 1.00 0.00 C ATOM 1435 OG SER B 44 8.852 -6.768 -7.412 1.00 0.00 O ATOM 0 H SER B 44 11.795 -5.163 -4.809 1.00 0.00 H new ATOM 0 HA SER B 44 9.015 -4.908 -5.683 1.00 0.00 H new ATOM 0 HB2 SER B 44 10.586 -5.682 -7.629 1.00 0.00 H new ATOM 0 HB3 SER B 44 10.746 -7.170 -6.717 1.00 0.00 H new ATOM 0 HG SER B 44 8.182 -6.776 -6.697 1.00 0.00 H new ATOM 1441 N HIS B 45 8.460 -6.543 -3.898 1.00 0.00 N ATOM 1442 CA HIS B 45 8.123 -7.428 -2.784 1.00 0.00 C ATOM 1443 C HIS B 45 6.939 -8.303 -3.155 1.00 0.00 C ATOM 1444 O HIS B 45 5.901 -7.801 -3.580 1.00 0.00 O ATOM 1445 CB HIS B 45 7.775 -6.636 -1.512 1.00 0.00 C ATOM 1446 CG HIS B 45 8.617 -5.418 -1.277 1.00 0.00 C ATOM 1447 ND1 HIS B 45 9.725 -5.385 -0.459 1.00 0.00 N ATOM 1448 CD2 HIS B 45 8.478 -4.162 -1.771 1.00 0.00 C ATOM 1449 CE1 HIS B 45 10.213 -4.140 -0.482 1.00 0.00 C ATOM 1450 NE2 HIS B 45 9.492 -3.358 -1.265 1.00 0.00 N ATOM 0 H HIS B 45 7.684 -5.967 -4.225 1.00 0.00 H new ATOM 0 HA HIS B 45 9.000 -8.043 -2.581 1.00 0.00 H new ATOM 0 HB2 HIS B 45 6.729 -6.332 -1.565 1.00 0.00 H new ATOM 0 HB3 HIS B 45 7.871 -7.298 -0.651 1.00 0.00 H new ATOM 0 HD2 HIS B 45 7.703 -3.839 -2.450 1.00 0.00 H new ATOM 0 HE1 HIS B 45 11.084 -3.816 0.068 1.00 0.00 H new ATOM 0 HE2 HIS B 45 9.647 -2.369 -1.458 1.00 0.00 H new ATOM 1458 N MET B 46 7.090 -9.607 -3.005 1.00 0.00 N ATOM 1459 CA MET B 46 6.012 -10.533 -3.325 1.00 0.00 C ATOM 1460 C MET B 46 4.941 -10.468 -2.246 1.00 0.00 C ATOM 1461 O MET B 46 5.263 -10.406 -1.063 1.00 0.00 O ATOM 1462 CB MET B 46 6.545 -11.964 -3.445 1.00 0.00 C ATOM 1463 CG MET B 46 7.474 -12.187 -4.631 1.00 0.00 C ATOM 1464 SD MET B 46 6.594 -12.297 -6.205 1.00 0.00 S ATOM 1465 CE MET B 46 5.549 -13.723 -5.906 1.00 0.00 C ATOM 0 H MET B 46 7.944 -10.050 -2.665 1.00 0.00 H new ATOM 0 HA MET B 46 5.579 -10.245 -4.283 1.00 0.00 H new ATOM 0 HB2 MET B 46 7.077 -12.220 -2.528 1.00 0.00 H new ATOM 0 HB3 MET B 46 5.701 -12.649 -3.525 1.00 0.00 H new ATOM 0 HG2 MET B 46 8.194 -11.370 -4.680 1.00 0.00 H new ATOM 0 HG3 MET B 46 8.042 -13.104 -4.473 1.00 0.00 H new ATOM 0 HE1 MET B 46 5.435 -14.290 -6.830 1.00 0.00 H new ATOM 0 HE2 MET B 46 6.006 -14.356 -5.145 1.00 0.00 H new ATOM 0 HE3 MET B 46 4.570 -13.391 -5.561 1.00 0.00 H new ATOM 1475 N TYR B 47 3.672 -10.461 -2.653 1.00 0.00 N ATOM 1476 CA TYR B 47 2.560 -10.416 -1.695 1.00 0.00 C ATOM 1477 C TYR B 47 2.699 -11.563 -0.698 1.00 0.00 C ATOM 1478 O TYR B 47 2.420 -11.414 0.493 1.00 0.00 O ATOM 1479 CB TYR B 47 1.214 -10.524 -2.412 1.00 0.00 C ATOM 1480 CG TYR B 47 0.763 -9.262 -3.121 1.00 0.00 C ATOM 1481 CD1 TYR B 47 1.280 -8.921 -4.361 1.00 0.00 C ATOM 1482 CD2 TYR B 47 -0.193 -8.425 -2.560 1.00 0.00 C ATOM 1483 CE1 TYR B 47 0.862 -7.783 -5.021 1.00 0.00 C ATOM 1484 CE2 TYR B 47 -0.618 -7.286 -3.218 1.00 0.00 C ATOM 1485 CZ TYR B 47 -0.085 -6.971 -4.448 1.00 0.00 C ATOM 1486 OH TYR B 47 -0.505 -5.844 -5.115 1.00 0.00 O ATOM 0 H TYR B 47 3.386 -10.486 -3.632 1.00 0.00 H new ATOM 0 HA TYR B 47 2.596 -9.461 -1.171 1.00 0.00 H new ATOM 0 HB2 TYR B 47 1.272 -11.332 -3.142 1.00 0.00 H new ATOM 0 HB3 TYR B 47 0.453 -10.806 -1.684 1.00 0.00 H new ATOM 0 HD1 TYR B 47 2.023 -9.557 -4.819 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -0.611 -8.668 -1.594 1.00 0.00 H new ATOM 0 HE1 TYR B 47 1.279 -7.532 -5.985 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -1.364 -6.647 -2.770 1.00 0.00 H new ATOM 0 HH TYR B 47 -0.490 -6.011 -6.081 1.00 0.00 H new ATOM 1496 N ALA B 48 3.108 -12.713 -1.220 1.00 0.00 N ATOM 1497 CA ALA B 48 3.345 -13.906 -0.421 1.00 0.00 C ATOM 1498 C ALA B 48 4.357 -13.682 0.704 1.00 0.00 C ATOM 1499 O ALA B 48 4.313 -14.385 1.704 1.00 0.00 O ATOM 1500 CB ALA B 48 3.854 -15.019 -1.322 1.00 0.00 C ATOM 0 H ALA B 48 3.285 -12.843 -2.216 1.00 0.00 H new ATOM 0 HA ALA B 48 2.395 -14.173 0.042 1.00 0.00 H new ATOM 0 HB1 ALA B 48 4.033 -15.915 -0.728 1.00 0.00 H new ATOM 0 HB2 ALA B 48 3.110 -15.235 -2.089 1.00 0.00 H new ATOM 0 HB3 ALA B 48 4.784 -14.706 -1.796 1.00 0.00 H new ATOM 1506 N ASP B 49 5.248 -12.705 0.534 1.00 0.00 N ATOM 1507 CA ASP B 49 6.302 -12.418 1.505 1.00 0.00 C ATOM 1508 C ASP B 49 5.943 -11.300 2.476 1.00 0.00 C ATOM 1509 O ASP B 49 6.702 -11.018 3.409 1.00 0.00 O ATOM 1510 CB ASP B 49 7.571 -12.025 0.775 1.00 0.00 C ATOM 1511 CG ASP B 49 8.262 -13.189 0.095 1.00 0.00 C ATOM 1512 OD1 ASP B 49 7.777 -13.638 -0.967 1.00 0.00 O ATOM 1513 OD2 ASP B 49 9.296 -13.654 0.621 1.00 0.00 O ATOM 0 H ASP B 49 5.259 -12.091 -0.280 1.00 0.00 H new ATOM 0 HA ASP B 49 6.439 -13.329 2.087 1.00 0.00 H new ATOM 0 HB2 ASP B 49 7.331 -11.268 0.028 1.00 0.00 H new ATOM 0 HB3 ASP B 49 8.261 -11.567 1.483 1.00 0.00 H new ATOM 1518 N ILE B 50 4.814 -10.646 2.281 1.00 0.00 N ATOM 1519 CA ILE B 50 4.439 -9.581 3.192 1.00 0.00 C ATOM 1520 C ILE B 50 3.734 -10.209 4.389 1.00 0.00 C ATOM 1521 O ILE B 50 2.935 -11.126 4.224 1.00 0.00 O ATOM 1522 CB ILE B 50 3.511 -8.534 2.543 1.00 0.00 C ATOM 1523 CG1 ILE B 50 3.742 -8.440 1.026 1.00 0.00 C ATOM 1524 CG2 ILE B 50 3.749 -7.172 3.194 1.00 0.00 C ATOM 1525 CD1 ILE B 50 4.965 -7.656 0.612 1.00 0.00 C ATOM 0 H ILE B 50 4.156 -10.826 1.522 1.00 0.00 H new ATOM 0 HA ILE B 50 5.346 -9.055 3.489 1.00 0.00 H new ATOM 0 HB ILE B 50 2.479 -8.845 2.702 1.00 0.00 H new ATOM 0 HG12 ILE B 50 3.823 -9.450 0.623 1.00 0.00 H new ATOM 0 HG13 ILE B 50 2.865 -7.984 0.568 1.00 0.00 H new ATOM 0 HG21 ILE B 50 3.094 -6.431 2.737 1.00 0.00 H new ATOM 0 HG22 ILE B 50 3.535 -7.236 4.261 1.00 0.00 H new ATOM 0 HG23 ILE B 50 4.788 -6.876 3.050 1.00 0.00 H new ATOM 0 HD11 ILE B 50 5.041 -7.647 -0.475 1.00 0.00 H new ATOM 0 HD12 ILE B 50 4.882 -6.633 0.978 1.00 0.00 H new ATOM 0 HD13 ILE B 50 5.856 -8.121 1.034 1.00 0.00 H new ATOM 1537 N LYS B 51 4.050 -9.758 5.589 1.00 0.00 N ATOM 1538 CA LYS B 51 3.430 -10.314 6.785 1.00 0.00 C ATOM 1539 C LYS B 51 2.348 -9.383 7.326 1.00 0.00 C ATOM 1540 O LYS B 51 1.314 -9.829 7.824 1.00 0.00 O ATOM 1541 CB LYS B 51 4.494 -10.558 7.856 1.00 0.00 C ATOM 1542 CG LYS B 51 3.950 -11.121 9.160 1.00 0.00 C ATOM 1543 CD LYS B 51 5.067 -11.396 10.155 1.00 0.00 C ATOM 1544 CE LYS B 51 5.787 -10.117 10.557 1.00 0.00 C ATOM 1545 NZ LYS B 51 6.987 -10.396 11.392 1.00 0.00 N ATOM 0 H LYS B 51 4.726 -9.015 5.764 1.00 0.00 H new ATOM 0 HA LYS B 51 2.961 -11.261 6.519 1.00 0.00 H new ATOM 0 HB2 LYS B 51 5.241 -11.246 7.460 1.00 0.00 H new ATOM 0 HB3 LYS B 51 5.005 -9.618 8.065 1.00 0.00 H new ATOM 0 HG2 LYS B 51 3.240 -10.417 9.594 1.00 0.00 H new ATOM 0 HG3 LYS B 51 3.404 -12.043 8.960 1.00 0.00 H new ATOM 0 HD2 LYS B 51 4.654 -11.876 11.042 1.00 0.00 H new ATOM 0 HD3 LYS B 51 5.781 -12.094 9.718 1.00 0.00 H new ATOM 0 HE2 LYS B 51 6.086 -9.572 9.662 1.00 0.00 H new ATOM 0 HE3 LYS B 51 5.102 -9.473 11.109 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 7.450 -9.500 11.645 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 6.699 -10.894 12.258 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 7.652 -10.990 10.857 1.00 0.00 H new ATOM 1559 N CYS B 52 2.613 -8.089 7.238 1.00 0.00 N ATOM 1560 CA CYS B 52 1.703 -7.054 7.716 1.00 0.00 C ATOM 1561 C CYS B 52 1.979 -5.776 6.937 1.00 0.00 C ATOM 1562 O CYS B 52 3.059 -5.616 6.370 1.00 0.00 O ATOM 1563 CB CYS B 52 1.922 -6.791 9.213 1.00 0.00 C ATOM 1564 SG CYS B 52 1.868 -8.268 10.257 1.00 0.00 S ATOM 0 H CYS B 52 3.473 -7.722 6.830 1.00 0.00 H new ATOM 0 HA CYS B 52 0.674 -7.381 7.569 1.00 0.00 H new ATOM 0 HB2 CYS B 52 2.889 -6.305 9.345 1.00 0.00 H new ATOM 0 HB3 CYS B 52 1.163 -6.090 9.560 1.00 0.00 H new ATOM 0 HG CYS B 52 1.476 -9.286 9.549 1.00 0.00 H new ATOM 1570 N GLN B 53 1.022 -4.875 6.898 1.00 0.00 N ATOM 1571 CA GLN B 53 1.201 -3.612 6.203 1.00 0.00 C ATOM 1572 C GLN B 53 0.566 -2.516 7.020 1.00 0.00 C ATOM 1573 O GLN B 53 -0.585 -2.598 7.360 1.00 0.00 O ATOM 1574 CB GLN B 53 0.606 -3.664 4.797 1.00 0.00 C ATOM 1575 CG GLN B 53 -0.871 -3.987 4.776 1.00 0.00 C ATOM 1576 CD GLN B 53 -1.650 -3.064 3.871 1.00 0.00 C ATOM 1577 OE1 GLN B 53 -1.269 -1.921 3.639 1.00 0.00 O ATOM 1578 NE2 GLN B 53 -2.757 -3.555 3.368 1.00 0.00 N ATOM 0 H GLN B 53 0.110 -4.990 7.339 1.00 0.00 H new ATOM 0 HA GLN B 53 2.266 -3.411 6.089 1.00 0.00 H new ATOM 0 HB2 GLN B 53 0.766 -2.703 4.308 1.00 0.00 H new ATOM 0 HB3 GLN B 53 1.141 -4.412 4.212 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -1.010 -5.017 4.447 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -1.269 -3.920 5.788 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -3.037 -4.511 3.587 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -3.338 -2.981 2.758 1.00 0.00 H new ATOM 1587 N LYS B 54 1.309 -1.499 7.364 1.00 0.00 N ATOM 1588 CA LYS B 54 0.746 -0.445 8.172 1.00 0.00 C ATOM 1589 C LYS B 54 0.713 0.856 7.396 1.00 0.00 C ATOM 1590 O LYS B 54 1.471 1.047 6.456 1.00 0.00 O ATOM 1591 CB LYS B 54 1.525 -0.291 9.465 1.00 0.00 C ATOM 1592 CG LYS B 54 2.000 -1.599 10.078 1.00 0.00 C ATOM 1593 CD LYS B 54 2.676 -1.358 11.421 1.00 0.00 C ATOM 1594 CE LYS B 54 3.025 -2.663 12.119 1.00 0.00 C ATOM 1595 NZ LYS B 54 3.165 -2.485 13.590 1.00 0.00 N ATOM 0 H LYS B 54 2.288 -1.376 7.105 1.00 0.00 H new ATOM 0 HA LYS B 54 -0.279 -0.712 8.428 1.00 0.00 H new ATOM 0 HB2 LYS B 54 2.392 0.343 9.278 1.00 0.00 H new ATOM 0 HB3 LYS B 54 0.900 0.229 10.191 1.00 0.00 H new ATOM 0 HG2 LYS B 54 1.153 -2.272 10.209 1.00 0.00 H new ATOM 0 HG3 LYS B 54 2.697 -2.091 9.399 1.00 0.00 H new ATOM 0 HD2 LYS B 54 3.583 -0.772 11.272 1.00 0.00 H new ATOM 0 HD3 LYS B 54 2.017 -0.769 12.059 1.00 0.00 H new ATOM 0 HE2 LYS B 54 2.251 -3.402 11.915 1.00 0.00 H new ATOM 0 HE3 LYS B 54 3.956 -3.056 11.710 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 3.703 -3.282 13.987 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 3.668 -1.596 13.786 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 2.222 -2.452 14.027 1.00 0.00 H new ATOM 1609 N ILE B 55 -0.167 1.750 7.798 1.00 0.00 N ATOM 1610 CA ILE B 55 -0.330 3.022 7.114 1.00 0.00 C ATOM 1611 C ILE B 55 -0.241 4.190 8.094 1.00 0.00 C ATOM 1612 O ILE B 55 -0.939 4.209 9.093 1.00 0.00 O ATOM 1613 CB ILE B 55 -1.705 3.027 6.418 1.00 0.00 C ATOM 1614 CG1 ILE B 55 -2.814 2.911 7.472 1.00 0.00 C ATOM 1615 CG2 ILE B 55 -1.785 1.867 5.438 1.00 0.00 C ATOM 1616 CD1 ILE B 55 -3.993 2.074 7.062 1.00 0.00 C ATOM 0 H ILE B 55 -0.785 1.620 8.599 1.00 0.00 H new ATOM 0 HA ILE B 55 0.469 3.141 6.382 1.00 0.00 H new ATOM 0 HB ILE B 55 -1.835 3.960 5.870 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -2.387 2.490 8.382 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -3.166 3.912 7.719 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -2.758 1.872 4.947 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -1.000 1.969 4.689 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -1.655 0.927 5.975 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -4.723 2.052 7.872 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -4.452 2.503 6.172 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -3.661 1.059 6.845 1.00 0.00 H new ATOM 1628 N SER B 56 0.613 5.167 7.835 1.00 0.00 N ATOM 1629 CA SER B 56 0.723 6.292 8.745 1.00 0.00 C ATOM 1630 C SER B 56 -0.403 7.276 8.464 1.00 0.00 C ATOM 1631 O SER B 56 -0.451 7.899 7.389 1.00 0.00 O ATOM 1632 CB SER B 56 2.102 6.956 8.678 1.00 0.00 C ATOM 1633 OG SER B 56 2.521 7.157 7.353 1.00 0.00 O ATOM 0 H SER B 56 1.227 5.204 7.021 1.00 0.00 H new ATOM 0 HA SER B 56 0.622 5.928 9.767 1.00 0.00 H new ATOM 0 HB2 SER B 56 2.070 7.913 9.198 1.00 0.00 H new ATOM 0 HB3 SER B 56 2.830 6.334 9.199 1.00 0.00 H new ATOM 0 HG SER B 56 3.219 7.845 7.331 1.00 0.00 H new ATOM 1639 N PRO B 57 -1.332 7.363 9.444 1.00 0.00 N ATOM 1640 CA PRO B 57 -2.543 8.202 9.410 1.00 0.00 C ATOM 1641 C PRO B 57 -2.285 9.696 9.301 1.00 0.00 C ATOM 1642 O PRO B 57 -1.158 10.172 9.492 1.00 0.00 O ATOM 1643 CB PRO B 57 -3.212 7.918 10.764 1.00 0.00 C ATOM 1644 CG PRO B 57 -2.112 7.409 11.623 1.00 0.00 C ATOM 1645 CD PRO B 57 -1.258 6.610 10.705 1.00 0.00 C ATOM 0 HA PRO B 57 -3.133 7.959 8.526 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -3.658 8.820 11.183 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -4.011 7.183 10.666 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -1.551 8.227 12.075 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -2.497 6.798 12.439 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -0.234 6.534 11.070 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -1.631 5.592 10.590 1.00 0.00 H new ATOM 1653 N GLU B 58 -3.366 10.415 9.012 1.00 0.00 N ATOM 1654 CA GLU B 58 -3.349 11.863 8.894 1.00 0.00 C ATOM 1655 C GLU B 58 -2.987 12.498 10.230 1.00 0.00 C ATOM 1656 O GLU B 58 -3.158 11.887 11.289 1.00 0.00 O ATOM 1657 CB GLU B 58 -4.709 12.378 8.422 1.00 0.00 C ATOM 1658 CG GLU B 58 -4.732 12.778 6.957 1.00 0.00 C ATOM 1659 CD GLU B 58 -3.768 13.907 6.640 1.00 0.00 C ATOM 1660 OE1 GLU B 58 -3.177 14.476 7.586 1.00 0.00 O ATOM 1661 OE2 GLU B 58 -3.601 14.222 5.444 1.00 0.00 O ATOM 0 H GLU B 58 -4.285 10.002 8.852 1.00 0.00 H new ATOM 0 HA GLU B 58 -2.596 12.139 8.156 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -5.459 11.606 8.591 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -4.994 13.237 9.029 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -4.483 11.911 6.345 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -5.743 13.082 6.684 1.00 0.00 H new ATOM 1668 N GLY B 59 -2.480 13.713 10.173 1.00 0.00 N ATOM 1669 CA GLY B 59 -2.071 14.405 11.376 1.00 0.00 C ATOM 1670 C GLY B 59 -0.573 14.565 11.408 1.00 0.00 C ATOM 1671 O GLY B 59 -0.021 15.302 12.224 1.00 0.00 O ATOM 0 H GLY B 59 -2.342 14.239 9.310 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -2.548 15.384 11.420 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -2.402 13.849 12.253 1.00 0.00 H new ATOM 1675 N LYS B 60 0.081 13.847 10.512 1.00 0.00 N ATOM 1676 CA LYS B 60 1.522 13.901 10.383 1.00 0.00 C ATOM 1677 C LYS B 60 1.871 14.763 9.180 1.00 0.00 C ATOM 1678 O LYS B 60 0.992 15.147 8.417 1.00 0.00 O ATOM 1679 CB LYS B 60 2.113 12.493 10.218 1.00 0.00 C ATOM 1680 CG LYS B 60 2.491 11.811 11.530 1.00 0.00 C ATOM 1681 CD LYS B 60 1.282 11.235 12.255 1.00 0.00 C ATOM 1682 CE LYS B 60 1.458 9.746 12.525 1.00 0.00 C ATOM 1683 NZ LYS B 60 1.304 8.938 11.289 1.00 0.00 N ATOM 0 H LYS B 60 -0.373 13.212 9.856 1.00 0.00 H new ATOM 0 HA LYS B 60 1.948 14.334 11.288 1.00 0.00 H new ATOM 0 HB2 LYS B 60 1.391 11.868 9.693 1.00 0.00 H new ATOM 0 HB3 LYS B 60 2.999 12.556 9.587 1.00 0.00 H new ATOM 0 HG2 LYS B 60 3.205 11.012 11.328 1.00 0.00 H new ATOM 0 HG3 LYS B 60 2.992 12.530 12.179 1.00 0.00 H new ATOM 0 HD2 LYS B 60 1.134 11.763 13.197 1.00 0.00 H new ATOM 0 HD3 LYS B 60 0.385 11.395 11.656 1.00 0.00 H new ATOM 0 HE2 LYS B 60 2.444 9.569 12.954 1.00 0.00 H new ATOM 0 HE3 LYS B 60 0.726 9.422 13.264 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 0.960 7.988 11.536 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 0.621 9.400 10.655 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 2.223 8.860 10.809 1.00 0.00 H new ATOM 1697 N ALA B 61 3.145 15.059 9.005 1.00 0.00 N ATOM 1698 CA ALA B 61 3.581 15.885 7.887 1.00 0.00 C ATOM 1699 C ALA B 61 3.630 15.083 6.591 1.00 0.00 C ATOM 1700 O ALA B 61 3.904 15.631 5.523 1.00 0.00 O ATOM 1701 CB ALA B 61 4.938 16.501 8.183 1.00 0.00 C ATOM 0 H ALA B 61 3.896 14.743 9.618 1.00 0.00 H new ATOM 0 HA ALA B 61 2.852 16.685 7.756 1.00 0.00 H new ATOM 0 HB1 ALA B 61 5.251 17.115 7.339 1.00 0.00 H new ATOM 0 HB2 ALA B 61 4.869 17.121 9.077 1.00 0.00 H new ATOM 0 HB3 ALA B 61 5.669 15.709 8.346 1.00 0.00 H new ATOM 1707 N LYS B 62 3.374 13.785 6.687 1.00 0.00 N ATOM 1708 CA LYS B 62 3.404 12.925 5.518 1.00 0.00 C ATOM 1709 C LYS B 62 2.585 11.653 5.725 1.00 0.00 C ATOM 1710 O LYS B 62 2.664 11.009 6.772 1.00 0.00 O ATOM 1711 CB LYS B 62 4.852 12.575 5.166 1.00 0.00 C ATOM 1712 CG LYS B 62 5.689 12.109 6.350 1.00 0.00 C ATOM 1713 CD LYS B 62 7.161 12.434 6.149 1.00 0.00 C ATOM 1714 CE LYS B 62 7.696 11.830 4.860 1.00 0.00 C ATOM 1715 NZ LYS B 62 9.032 12.369 4.511 1.00 0.00 N ATOM 0 H LYS B 62 3.145 13.309 7.559 1.00 0.00 H new ATOM 0 HA LYS B 62 2.951 13.471 4.690 1.00 0.00 H new ATOM 0 HB2 LYS B 62 4.850 11.793 4.407 1.00 0.00 H new ATOM 0 HB3 LYS B 62 5.327 13.449 4.722 1.00 0.00 H new ATOM 0 HG2 LYS B 62 5.330 12.586 7.262 1.00 0.00 H new ATOM 0 HG3 LYS B 62 5.567 11.034 6.484 1.00 0.00 H new ATOM 0 HD2 LYS B 62 7.296 13.515 6.128 1.00 0.00 H new ATOM 0 HD3 LYS B 62 7.736 12.057 6.995 1.00 0.00 H new ATOM 0 HE2 LYS B 62 7.757 10.747 4.965 1.00 0.00 H new ATOM 0 HE3 LYS B 62 6.999 12.033 4.047 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 9.362 11.933 3.627 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 8.969 13.400 4.386 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 9.704 12.153 5.275 1.00 0.00 H new ATOM 1729 N ILE B 63 1.788 11.322 4.718 1.00 0.00 N ATOM 1730 CA ILE B 63 0.958 10.122 4.731 1.00 0.00 C ATOM 1731 C ILE B 63 1.760 8.984 4.113 1.00 0.00 C ATOM 1732 O ILE B 63 2.277 9.129 3.004 1.00 0.00 O ATOM 1733 CB ILE B 63 -0.346 10.346 3.932 1.00 0.00 C ATOM 1734 CG1 ILE B 63 -1.192 11.445 4.582 1.00 0.00 C ATOM 1735 CG2 ILE B 63 -1.144 9.061 3.823 1.00 0.00 C ATOM 1736 CD1 ILE B 63 -1.013 12.805 3.942 1.00 0.00 C ATOM 0 H ILE B 63 1.698 11.878 3.867 1.00 0.00 H new ATOM 0 HA ILE B 63 0.681 9.879 5.757 1.00 0.00 H new ATOM 0 HB ILE B 63 -0.074 10.664 2.926 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -2.243 11.163 4.528 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -0.934 11.513 5.639 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -2.056 9.246 3.256 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -0.548 8.304 3.313 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -1.402 8.707 4.821 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -1.642 13.533 4.453 1.00 0.00 H new ATOM 0 HD12 ILE B 63 0.031 13.109 4.020 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -1.299 12.753 2.891 1.00 0.00 H new ATOM 1748 N GLN B 64 1.876 7.850 4.800 1.00 0.00 N ATOM 1749 CA GLN B 64 2.715 6.766 4.269 1.00 0.00 C ATOM 1750 C GLN B 64 2.157 5.358 4.500 1.00 0.00 C ATOM 1751 O GLN B 64 1.153 5.164 5.182 1.00 0.00 O ATOM 1752 CB GLN B 64 4.122 6.837 4.869 1.00 0.00 C ATOM 1753 CG GLN B 64 4.773 8.205 4.830 1.00 0.00 C ATOM 1754 CD GLN B 64 6.230 8.154 5.237 1.00 0.00 C ATOM 1755 OE1 GLN B 64 6.743 9.077 5.861 1.00 0.00 O ATOM 1756 NE2 GLN B 64 6.908 7.074 4.877 1.00 0.00 N ATOM 0 H GLN B 64 1.421 7.656 5.692 1.00 0.00 H new ATOM 0 HA GLN B 64 2.734 6.927 3.191 1.00 0.00 H new ATOM 0 HB2 GLN B 64 4.074 6.505 5.906 1.00 0.00 H new ATOM 0 HB3 GLN B 64 4.762 6.133 4.338 1.00 0.00 H new ATOM 0 HG2 GLN B 64 4.692 8.616 3.824 1.00 0.00 H new ATOM 0 HG3 GLN B 64 4.235 8.881 5.494 1.00 0.00 H new ATOM 0 HE21 GLN B 64 6.443 6.329 4.359 1.00 0.00 H new ATOM 0 HE22 GLN B 64 7.895 6.988 5.118 1.00 0.00 H new ATOM 1765 N LEU B 65 2.835 4.389 3.875 1.00 0.00 N ATOM 1766 CA LEU B 65 2.512 2.966 3.959 1.00 0.00 C ATOM 1767 C LEU B 65 3.774 2.144 4.283 1.00 0.00 C ATOM 1768 O LEU B 65 4.714 2.135 3.492 1.00 0.00 O ATOM 1769 CB LEU B 65 1.978 2.516 2.607 1.00 0.00 C ATOM 1770 CG LEU B 65 1.569 1.051 2.518 1.00 0.00 C ATOM 1771 CD1 LEU B 65 0.105 0.878 2.872 1.00 0.00 C ATOM 1772 CD2 LEU B 65 1.861 0.499 1.134 1.00 0.00 C ATOM 0 H LEU B 65 3.643 4.581 3.283 1.00 0.00 H new ATOM 0 HA LEU B 65 1.774 2.812 4.746 1.00 0.00 H new ATOM 0 HB2 LEU B 65 1.115 3.132 2.353 1.00 0.00 H new ATOM 0 HB3 LEU B 65 2.740 2.709 1.852 1.00 0.00 H new ATOM 0 HG LEU B 65 2.158 0.487 3.241 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -0.164 -0.176 2.802 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -0.067 1.229 3.889 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -0.507 1.456 2.180 1.00 0.00 H new ATOM 0 HD21 LEU B 65 1.562 -0.548 1.090 1.00 0.00 H new ATOM 0 HD22 LEU B 65 1.303 1.067 0.390 1.00 0.00 H new ATOM 0 HD23 LEU B 65 2.928 0.581 0.927 1.00 0.00 H new ATOM 1784 N GLN B 66 3.818 1.471 5.437 1.00 0.00 N ATOM 1785 CA GLN B 66 4.980 0.653 5.781 1.00 0.00 C ATOM 1786 C GLN B 66 4.656 -0.836 5.616 1.00 0.00 C ATOM 1787 O GLN B 66 3.705 -1.354 6.203 1.00 0.00 O ATOM 1788 CB GLN B 66 5.510 0.951 7.192 1.00 0.00 C ATOM 1789 CG GLN B 66 4.819 0.213 8.327 1.00 0.00 C ATOM 1790 CD GLN B 66 5.740 -0.040 9.509 1.00 0.00 C ATOM 1791 OE1 GLN B 66 5.510 -0.943 10.311 1.00 0.00 O ATOM 1792 NE2 GLN B 66 6.803 0.744 9.614 1.00 0.00 N ATOM 0 H GLN B 66 3.076 1.476 6.136 1.00 0.00 H new ATOM 0 HA GLN B 66 5.778 0.916 5.087 1.00 0.00 H new ATOM 0 HB2 GLN B 66 6.572 0.708 7.219 1.00 0.00 H new ATOM 0 HB3 GLN B 66 5.423 2.022 7.374 1.00 0.00 H new ATOM 0 HG2 GLN B 66 3.958 0.792 8.660 1.00 0.00 H new ATOM 0 HG3 GLN B 66 4.439 -0.739 7.957 1.00 0.00 H new ATOM 0 HE21 GLN B 66 6.961 1.483 8.929 1.00 0.00 H new ATOM 0 HE22 GLN B 66 7.463 0.608 10.380 1.00 0.00 H new ATOM 1801 N LEU B 67 5.427 -1.509 4.783 1.00 0.00 N ATOM 1802 CA LEU B 67 5.237 -2.930 4.537 1.00 0.00 C ATOM 1803 C LEU B 67 6.149 -3.740 5.442 1.00 0.00 C ATOM 1804 O LEU B 67 7.364 -3.591 5.394 1.00 0.00 O ATOM 1805 CB LEU B 67 5.541 -3.266 3.075 1.00 0.00 C ATOM 1806 CG LEU B 67 4.602 -2.635 2.048 1.00 0.00 C ATOM 1807 CD1 LEU B 67 5.074 -2.949 0.638 1.00 0.00 C ATOM 1808 CD2 LEU B 67 3.178 -3.128 2.254 1.00 0.00 C ATOM 0 H LEU B 67 6.197 -1.092 4.260 1.00 0.00 H new ATOM 0 HA LEU B 67 4.198 -3.180 4.750 1.00 0.00 H new ATOM 0 HB2 LEU B 67 6.560 -2.951 2.852 1.00 0.00 H new ATOM 0 HB3 LEU B 67 5.509 -4.349 2.955 1.00 0.00 H new ATOM 0 HG LEU B 67 4.615 -1.554 2.186 1.00 0.00 H new ATOM 0 HD11 LEU B 67 4.395 -2.493 -0.083 1.00 0.00 H new ATOM 0 HD12 LEU B 67 6.078 -2.551 0.493 1.00 0.00 H new ATOM 0 HD13 LEU B 67 5.087 -4.029 0.491 1.00 0.00 H new ATOM 0 HD21 LEU B 67 2.523 -2.668 1.514 1.00 0.00 H new ATOM 0 HD22 LEU B 67 3.148 -4.212 2.141 1.00 0.00 H new ATOM 0 HD23 LEU B 67 2.841 -2.858 3.255 1.00 0.00 H new ATOM 1820 N VAL B 68 5.562 -4.579 6.274 1.00 0.00 N ATOM 1821 CA VAL B 68 6.327 -5.418 7.182 1.00 0.00 C ATOM 1822 C VAL B 68 6.347 -6.845 6.658 1.00 0.00 C ATOM 1823 O VAL B 68 5.339 -7.550 6.708 1.00 0.00 O ATOM 1824 CB VAL B 68 5.730 -5.413 8.604 1.00 0.00 C ATOM 1825 CG1 VAL B 68 6.604 -6.212 9.561 1.00 0.00 C ATOM 1826 CG2 VAL B 68 5.545 -3.989 9.106 1.00 0.00 C ATOM 0 H VAL B 68 4.551 -4.699 6.341 1.00 0.00 H new ATOM 0 HA VAL B 68 7.339 -5.015 7.235 1.00 0.00 H new ATOM 0 HB VAL B 68 4.750 -5.889 8.561 1.00 0.00 H new ATOM 0 HG11 VAL B 68 6.163 -6.194 10.558 1.00 0.00 H new ATOM 0 HG12 VAL B 68 6.675 -7.243 9.214 1.00 0.00 H new ATOM 0 HG13 VAL B 68 7.600 -5.772 9.597 1.00 0.00 H new ATOM 0 HG21 VAL B 68 5.123 -4.009 10.111 1.00 0.00 H new ATOM 0 HG22 VAL B 68 6.510 -3.483 9.128 1.00 0.00 H new ATOM 0 HG23 VAL B 68 4.869 -3.453 8.439 1.00 0.00 H new ATOM 1836 N LEU B 69 7.485 -7.272 6.150 1.00 0.00 N ATOM 1837 CA LEU B 69 7.609 -8.613 5.610 1.00 0.00 C ATOM 1838 C LEU B 69 7.924 -9.596 6.727 1.00 0.00 C ATOM 1839 O LEU B 69 8.444 -9.209 7.775 1.00 0.00 O ATOM 1840 CB LEU B 69 8.686 -8.678 4.528 1.00 0.00 C ATOM 1841 CG LEU B 69 8.556 -7.643 3.407 1.00 0.00 C ATOM 1842 CD1 LEU B 69 9.150 -8.172 2.118 1.00 0.00 C ATOM 1843 CD2 LEU B 69 7.114 -7.238 3.171 1.00 0.00 C ATOM 0 H LEU B 69 8.336 -6.712 6.099 1.00 0.00 H new ATOM 0 HA LEU B 69 6.658 -8.884 5.151 1.00 0.00 H new ATOM 0 HB2 LEU B 69 9.660 -8.555 5.001 1.00 0.00 H new ATOM 0 HB3 LEU B 69 8.671 -9.673 4.084 1.00 0.00 H new ATOM 0 HG LEU B 69 9.108 -6.760 3.727 1.00 0.00 H new ATOM 0 HD11 LEU B 69 9.047 -7.421 1.335 1.00 0.00 H new ATOM 0 HD12 LEU B 69 10.206 -8.396 2.269 1.00 0.00 H new ATOM 0 HD13 LEU B 69 8.625 -9.080 1.821 1.00 0.00 H new ATOM 0 HD21 LEU B 69 7.069 -6.503 2.368 1.00 0.00 H new ATOM 0 HD22 LEU B 69 6.531 -8.116 2.892 1.00 0.00 H new ATOM 0 HD23 LEU B 69 6.704 -6.804 4.083 1.00 0.00 H new ATOM 1855 N HIS B 70 7.606 -10.863 6.519 1.00 0.00 N ATOM 1856 CA HIS B 70 7.873 -11.873 7.538 1.00 0.00 C ATOM 1857 C HIS B 70 9.324 -12.322 7.478 1.00 0.00 C ATOM 1858 O HIS B 70 9.843 -12.890 8.434 1.00 0.00 O ATOM 1859 CB HIS B 70 6.923 -13.076 7.420 1.00 0.00 C ATOM 1860 CG HIS B 70 6.483 -13.400 6.026 1.00 0.00 C ATOM 1861 ND1 HIS B 70 5.171 -13.369 5.607 1.00 0.00 N ATOM 1862 CD2 HIS B 70 7.205 -13.784 4.948 1.00 0.00 C ATOM 1863 CE1 HIS B 70 5.151 -13.732 4.322 1.00 0.00 C ATOM 1864 NE2 HIS B 70 6.357 -14.003 3.888 1.00 0.00 N ATOM 0 H HIS B 70 7.169 -11.217 5.668 1.00 0.00 H new ATOM 0 HA HIS B 70 7.690 -11.413 8.509 1.00 0.00 H new ATOM 0 HB2 HIS B 70 7.416 -13.952 7.842 1.00 0.00 H new ATOM 0 HB3 HIS B 70 6.039 -12.883 8.028 1.00 0.00 H new ATOM 0 HD1 HIS B 70 4.362 -13.115 6.175 1.00 0.00 H new ATOM 0 HD2 HIS B 70 8.278 -13.900 4.924 1.00 0.00 H new ATOM 0 HE1 HIS B 70 4.257 -13.794 3.719 1.00 0.00 H new ATOM 1872 N ALA B 71 9.980 -12.028 6.361 1.00 0.00 N ATOM 1873 CA ALA B 71 11.380 -12.387 6.172 1.00 0.00 C ATOM 1874 C ALA B 71 12.298 -11.459 6.968 1.00 0.00 C ATOM 1875 O ALA B 71 13.503 -11.686 7.054 1.00 0.00 O ATOM 1876 CB ALA B 71 11.738 -12.349 4.693 1.00 0.00 C ATOM 0 H ALA B 71 9.562 -11.540 5.569 1.00 0.00 H new ATOM 0 HA ALA B 71 11.524 -13.402 6.543 1.00 0.00 H new ATOM 0 HB1 ALA B 71 12.786 -12.619 4.565 1.00 0.00 H new ATOM 0 HB2 ALA B 71 11.112 -13.056 4.149 1.00 0.00 H new ATOM 0 HB3 ALA B 71 11.572 -11.344 4.304 1.00 0.00 H new ATOM 1882 N GLY B 72 11.718 -10.408 7.542 1.00 0.00 N ATOM 1883 CA GLY B 72 12.496 -9.468 8.326 1.00 0.00 C ATOM 1884 C GLY B 72 12.749 -8.167 7.593 1.00 0.00 C ATOM 1885 O GLY B 72 13.652 -7.411 7.948 1.00 0.00 O ATOM 0 H GLY B 72 10.723 -10.192 7.477 1.00 0.00 H new ATOM 0 HA2 GLY B 72 11.973 -9.259 9.259 1.00 0.00 H new ATOM 0 HA3 GLY B 72 13.450 -9.923 8.590 1.00 0.00 H new ATOM 1889 N ASP B 73 11.947 -7.906 6.571 1.00 0.00 N ATOM 1890 CA ASP B 73 12.086 -6.688 5.779 1.00 0.00 C ATOM 1891 C ASP B 73 10.934 -5.732 6.067 1.00 0.00 C ATOM 1892 O ASP B 73 9.849 -6.163 6.456 1.00 0.00 O ATOM 1893 CB ASP B 73 12.132 -7.035 4.285 1.00 0.00 C ATOM 1894 CG ASP B 73 12.152 -5.807 3.389 1.00 0.00 C ATOM 1895 OD1 ASP B 73 12.882 -4.848 3.713 1.00 0.00 O ATOM 1896 OD2 ASP B 73 11.430 -5.802 2.370 1.00 0.00 O ATOM 0 H ASP B 73 11.192 -8.521 6.269 1.00 0.00 H new ATOM 0 HA ASP B 73 13.019 -6.195 6.054 1.00 0.00 H new ATOM 0 HB2 ASP B 73 13.018 -7.638 4.085 1.00 0.00 H new ATOM 0 HB3 ASP B 73 11.266 -7.647 4.033 1.00 0.00 H new ATOM 1901 N THR B 74 11.176 -4.444 5.888 1.00 0.00 N ATOM 1902 CA THR B 74 10.169 -3.421 6.112 1.00 0.00 C ATOM 1903 C THR B 74 10.383 -2.266 5.139 1.00 0.00 C ATOM 1904 O THR B 74 11.499 -1.767 5.002 1.00 0.00 O ATOM 1905 CB THR B 74 10.215 -2.885 7.557 1.00 0.00 C ATOM 1906 OG1 THR B 74 11.571 -2.822 8.015 1.00 0.00 O ATOM 1907 CG2 THR B 74 9.404 -3.764 8.493 1.00 0.00 C ATOM 0 H THR B 74 12.078 -4.078 5.583 1.00 0.00 H new ATOM 0 HA THR B 74 9.192 -3.875 5.948 1.00 0.00 H new ATOM 0 HB THR B 74 9.781 -1.885 7.558 1.00 0.00 H new ATOM 0 HG1 THR B 74 11.591 -2.479 8.933 1.00 0.00 H new ATOM 0 HG21 THR B 74 9.455 -3.362 9.505 1.00 0.00 H new ATOM 0 HG22 THR B 74 8.365 -3.786 8.163 1.00 0.00 H new ATOM 0 HG23 THR B 74 9.809 -4.776 8.484 1.00 0.00 H new ATOM 1915 N THR B 75 9.325 -1.836 4.470 1.00 0.00 N ATOM 1916 CA THR B 75 9.442 -0.751 3.509 1.00 0.00 C ATOM 1917 C THR B 75 8.512 0.413 3.846 1.00 0.00 C ATOM 1918 O THR B 75 7.306 0.230 3.987 1.00 0.00 O ATOM 1919 CB THR B 75 9.116 -1.260 2.100 1.00 0.00 C ATOM 1920 OG1 THR B 75 9.459 -2.647 2.001 1.00 0.00 O ATOM 1921 CG2 THR B 75 9.877 -0.467 1.050 1.00 0.00 C ATOM 0 H THR B 75 8.384 -2.217 4.573 1.00 0.00 H new ATOM 0 HA THR B 75 10.470 -0.391 3.552 1.00 0.00 H new ATOM 0 HB THR B 75 8.048 -1.131 1.922 1.00 0.00 H new ATOM 0 HG1 THR B 75 8.702 -3.146 1.629 1.00 0.00 H new ATOM 0 HG21 THR B 75 9.630 -0.846 0.058 1.00 0.00 H new ATOM 0 HG22 THR B 75 9.599 0.585 1.116 1.00 0.00 H new ATOM 0 HG23 THR B 75 10.948 -0.571 1.222 1.00 0.00 H new ATOM 1929 N ASN B 76 9.076 1.609 3.962 1.00 0.00 N ATOM 1930 CA ASN B 76 8.298 2.807 4.272 1.00 0.00 C ATOM 1931 C ASN B 76 8.020 3.592 2.989 1.00 0.00 C ATOM 1932 O ASN B 76 8.914 4.226 2.442 1.00 0.00 O ATOM 1933 CB ASN B 76 9.052 3.692 5.268 1.00 0.00 C ATOM 1934 CG ASN B 76 8.926 3.196 6.695 1.00 0.00 C ATOM 1935 OD1 ASN B 76 8.788 2.000 6.946 1.00 0.00 O ATOM 1936 ND2 ASN B 76 8.957 4.116 7.642 1.00 0.00 N ATOM 0 H ASN B 76 10.075 1.778 3.846 1.00 0.00 H new ATOM 0 HA ASN B 76 7.353 2.502 4.721 1.00 0.00 H new ATOM 0 HB2 ASN B 76 10.106 3.729 4.991 1.00 0.00 H new ATOM 0 HB3 ASN B 76 8.670 4.711 5.206 1.00 0.00 H new ATOM 0 HD21 ASN B 76 8.865 3.844 8.621 1.00 0.00 H new ATOM 0 HD22 ASN B 76 9.073 5.099 7.395 1.00 0.00 H new ATOM 1943 N PHE B 77 6.790 3.528 2.499 1.00 0.00 N ATOM 1944 CA PHE B 77 6.417 4.234 1.276 1.00 0.00 C ATOM 1945 C PHE B 77 5.639 5.510 1.590 1.00 0.00 C ATOM 1946 O PHE B 77 4.536 5.450 2.123 1.00 0.00 O ATOM 1947 CB PHE B 77 5.569 3.332 0.376 1.00 0.00 C ATOM 1948 CG PHE B 77 6.355 2.281 -0.357 1.00 0.00 C ATOM 1949 CD1 PHE B 77 7.503 2.614 -1.055 1.00 0.00 C ATOM 1950 CD2 PHE B 77 5.935 0.959 -0.356 1.00 0.00 C ATOM 1951 CE1 PHE B 77 8.221 1.649 -1.737 1.00 0.00 C ATOM 1952 CE2 PHE B 77 6.648 -0.009 -1.037 1.00 0.00 C ATOM 1953 CZ PHE B 77 7.792 0.337 -1.728 1.00 0.00 C ATOM 0 H PHE B 77 6.032 2.996 2.927 1.00 0.00 H new ATOM 0 HA PHE B 77 7.337 4.504 0.758 1.00 0.00 H new ATOM 0 HB2 PHE B 77 4.808 2.843 0.984 1.00 0.00 H new ATOM 0 HB3 PHE B 77 5.046 3.952 -0.352 1.00 0.00 H new ATOM 0 HD1 PHE B 77 7.842 3.639 -1.067 1.00 0.00 H new ATOM 0 HD2 PHE B 77 5.041 0.683 0.183 1.00 0.00 H new ATOM 0 HE1 PHE B 77 9.116 1.921 -2.276 1.00 0.00 H new ATOM 0 HE2 PHE B 77 6.311 -1.035 -1.029 1.00 0.00 H new ATOM 0 HZ PHE B 77 8.351 -0.418 -2.261 1.00 0.00 H new ATOM 1963 N HIS B 78 6.213 6.655 1.258 1.00 0.00 N ATOM 1964 CA HIS B 78 5.571 7.942 1.497 1.00 0.00 C ATOM 1965 C HIS B 78 4.745 8.367 0.284 1.00 0.00 C ATOM 1966 O HIS B 78 5.266 8.485 -0.822 1.00 0.00 O ATOM 1967 CB HIS B 78 6.636 9.008 1.824 1.00 0.00 C ATOM 1968 CG HIS B 78 6.131 10.427 1.850 1.00 0.00 C ATOM 1969 ND1 HIS B 78 4.894 10.918 2.123 1.00 0.00 N flip ATOM 1970 CD2 HIS B 78 6.914 11.526 1.565 1.00 0.00 C flip ATOM 1971 CE1 HIS B 78 4.913 12.304 2.002 1.00 0.00 C flip ATOM 1972 NE2 HIS B 78 6.148 12.617 1.665 1.00 0.00 N flip ATOM 0 H HIS B 78 7.131 6.721 0.818 1.00 0.00 H new ATOM 0 HA HIS B 78 4.897 7.843 2.348 1.00 0.00 H new ATOM 0 HB2 HIS B 78 7.074 8.776 2.795 1.00 0.00 H new ATOM 0 HB3 HIS B 78 7.437 8.937 1.088 1.00 0.00 H new ATOM 0 HD1 HIS B 78 4.080 10.359 2.377 1.00 0.00 H new ATOM 0 HD2 HIS B 78 7.962 11.508 1.306 1.00 0.00 H new ATOM 0 HE1 HIS B 78 4.087 12.983 2.153 1.00 0.00 H new ATOM 1980 N PHE B 79 3.457 8.597 0.497 1.00 0.00 N ATOM 1981 CA PHE B 79 2.575 9.030 -0.575 1.00 0.00 C ATOM 1982 C PHE B 79 2.701 10.538 -0.749 1.00 0.00 C ATOM 1983 O PHE B 79 1.878 11.309 -0.259 1.00 0.00 O ATOM 1984 CB PHE B 79 1.125 8.645 -0.276 1.00 0.00 C ATOM 1985 CG PHE B 79 0.881 7.165 -0.315 1.00 0.00 C ATOM 1986 CD1 PHE B 79 0.551 6.537 -1.504 1.00 0.00 C ATOM 1987 CD2 PHE B 79 0.986 6.401 0.835 1.00 0.00 C ATOM 1988 CE1 PHE B 79 0.328 5.174 -1.546 1.00 0.00 C ATOM 1989 CE2 PHE B 79 0.765 5.039 0.799 1.00 0.00 C ATOM 1990 CZ PHE B 79 0.436 4.424 -0.392 1.00 0.00 C ATOM 0 H PHE B 79 3.000 8.491 1.403 1.00 0.00 H new ATOM 0 HA PHE B 79 2.867 8.532 -1.500 1.00 0.00 H new ATOM 0 HB2 PHE B 79 0.852 9.025 0.708 1.00 0.00 H new ATOM 0 HB3 PHE B 79 0.471 9.133 -0.999 1.00 0.00 H new ATOM 0 HD1 PHE B 79 0.467 7.119 -2.410 1.00 0.00 H new ATOM 0 HD2 PHE B 79 1.244 6.876 1.770 1.00 0.00 H new ATOM 0 HE1 PHE B 79 0.070 4.696 -2.480 1.00 0.00 H new ATOM 0 HE2 PHE B 79 0.850 4.454 1.703 1.00 0.00 H new ATOM 0 HZ PHE B 79 0.263 3.358 -0.421 1.00 0.00 H new ATOM 2000 N SER B 80 3.746 10.944 -1.448 1.00 0.00 N ATOM 2001 CA SER B 80 4.029 12.348 -1.678 1.00 0.00 C ATOM 2002 C SER B 80 3.291 12.866 -2.906 1.00 0.00 C ATOM 2003 O SER B 80 3.874 13.519 -3.778 1.00 0.00 O ATOM 2004 CB SER B 80 5.532 12.527 -1.842 1.00 0.00 C ATOM 2005 OG SER B 80 6.116 11.360 -2.401 1.00 0.00 O ATOM 0 H SER B 80 4.422 10.309 -1.872 1.00 0.00 H new ATOM 0 HA SER B 80 3.680 12.926 -0.822 1.00 0.00 H new ATOM 0 HB2 SER B 80 5.734 13.384 -2.484 1.00 0.00 H new ATOM 0 HB3 SER B 80 5.986 12.740 -0.874 1.00 0.00 H new ATOM 0 HG SER B 80 5.642 11.119 -3.224 1.00 0.00 H new ATOM 2011 N ASN B 81 2.011 12.567 -2.978 1.00 0.00 N ATOM 2012 CA ASN B 81 1.199 13.008 -4.090 1.00 0.00 C ATOM 2013 C ASN B 81 0.102 13.933 -3.586 1.00 0.00 C ATOM 2014 O ASN B 81 -0.940 13.482 -3.133 1.00 0.00 O ATOM 2015 CB ASN B 81 0.609 11.811 -4.836 1.00 0.00 C ATOM 2016 CG ASN B 81 0.127 12.183 -6.220 1.00 0.00 C ATOM 2017 OD1 ASN B 81 0.632 13.128 -6.832 1.00 0.00 O ATOM 2018 ND2 ASN B 81 -0.839 11.439 -6.728 1.00 0.00 N ATOM 0 H ASN B 81 1.511 12.019 -2.278 1.00 0.00 H new ATOM 0 HA ASN B 81 1.825 13.558 -4.793 1.00 0.00 H new ATOM 0 HB2 ASN B 81 1.362 11.026 -4.914 1.00 0.00 H new ATOM 0 HB3 ASN B 81 -0.222 11.400 -4.262 1.00 0.00 H new ATOM 0 HD21 ASN B 81 -1.197 11.636 -7.663 1.00 0.00 H new ATOM 0 HD22 ASN B 81 -1.227 10.667 -6.186 1.00 0.00 H new ATOM 2025 N GLU B 82 0.354 15.232 -3.673 1.00 0.00 N ATOM 2026 CA GLU B 82 -0.577 16.259 -3.202 1.00 0.00 C ATOM 2027 C GLU B 82 -1.993 16.068 -3.754 1.00 0.00 C ATOM 2028 O GLU B 82 -2.973 16.487 -3.139 1.00 0.00 O ATOM 2029 CB GLU B 82 -0.056 17.650 -3.593 1.00 0.00 C ATOM 2030 CG GLU B 82 1.399 17.899 -3.210 1.00 0.00 C ATOM 2031 CD GLU B 82 2.374 17.596 -4.336 1.00 0.00 C ATOM 2032 OE1 GLU B 82 2.251 16.522 -4.965 1.00 0.00 O ATOM 2033 OE2 GLU B 82 3.268 18.426 -4.596 1.00 0.00 O ATOM 0 H GLU B 82 1.213 15.609 -4.074 1.00 0.00 H new ATOM 0 HA GLU B 82 -0.636 16.167 -2.117 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -0.164 17.777 -4.670 1.00 0.00 H new ATOM 0 HB3 GLU B 82 -0.680 18.407 -3.118 1.00 0.00 H new ATOM 0 HG2 GLU B 82 1.515 18.940 -2.907 1.00 0.00 H new ATOM 0 HG3 GLU B 82 1.651 17.285 -2.345 1.00 0.00 H new ATOM 2040 N SER B 83 -2.094 15.422 -4.905 1.00 0.00 N ATOM 2041 CA SER B 83 -3.375 15.193 -5.545 1.00 0.00 C ATOM 2042 C SER B 83 -4.230 14.144 -4.819 1.00 0.00 C ATOM 2043 O SER B 83 -5.367 14.428 -4.418 1.00 0.00 O ATOM 2044 CB SER B 83 -3.137 14.763 -6.991 1.00 0.00 C ATOM 2045 OG SER B 83 -1.981 15.398 -7.515 1.00 0.00 O ATOM 0 H SER B 83 -1.296 15.045 -5.417 1.00 0.00 H new ATOM 0 HA SER B 83 -3.934 16.128 -5.507 1.00 0.00 H new ATOM 0 HB2 SER B 83 -3.018 13.681 -7.040 1.00 0.00 H new ATOM 0 HB3 SER B 83 -4.005 15.016 -7.599 1.00 0.00 H new ATOM 0 HG SER B 83 -1.841 15.111 -8.441 1.00 0.00 H new ATOM 2051 N THR B 84 -3.697 12.943 -4.629 1.00 0.00 N ATOM 2052 CA THR B 84 -4.470 11.874 -4.006 1.00 0.00 C ATOM 2053 C THR B 84 -3.711 11.108 -2.916 1.00 0.00 C ATOM 2054 O THR B 84 -4.064 9.976 -2.625 1.00 0.00 O ATOM 2055 CB THR B 84 -4.929 10.881 -5.091 1.00 0.00 C ATOM 2056 OG1 THR B 84 -3.973 10.866 -6.155 1.00 0.00 O ATOM 2057 CG2 THR B 84 -6.294 11.257 -5.649 1.00 0.00 C ATOM 0 H THR B 84 -2.746 12.686 -4.893 1.00 0.00 H new ATOM 0 HA THR B 84 -5.317 12.353 -3.516 1.00 0.00 H new ATOM 0 HB THR B 84 -5.007 9.894 -4.636 1.00 0.00 H new ATOM 0 HG1 THR B 84 -3.088 10.647 -5.796 1.00 0.00 H new ATOM 0 HG21 THR B 84 -6.587 10.535 -6.412 1.00 0.00 H new ATOM 0 HG22 THR B 84 -7.030 11.253 -4.845 1.00 0.00 H new ATOM 0 HG23 THR B 84 -6.245 12.252 -6.091 1.00 0.00 H new ATOM 2065 N ALA B 85 -2.720 11.743 -2.289 1.00 0.00 N ATOM 2066 CA ALA B 85 -1.892 11.113 -1.241 1.00 0.00 C ATOM 2067 C ALA B 85 -2.675 10.196 -0.296 1.00 0.00 C ATOM 2068 O ALA B 85 -2.497 8.976 -0.307 1.00 0.00 O ATOM 2069 CB ALA B 85 -1.183 12.187 -0.429 1.00 0.00 C ATOM 0 H ALA B 85 -2.463 12.710 -2.488 1.00 0.00 H new ATOM 0 HA ALA B 85 -1.174 10.480 -1.763 1.00 0.00 H new ATOM 0 HB1 ALA B 85 -0.574 11.717 0.343 1.00 0.00 H new ATOM 0 HB2 ALA B 85 -0.544 12.778 -1.086 1.00 0.00 H new ATOM 0 HB3 ALA B 85 -1.922 12.837 0.039 1.00 0.00 H new ATOM 2075 N VAL B 86 -3.532 10.791 0.522 1.00 0.00 N ATOM 2076 CA VAL B 86 -4.329 10.040 1.491 1.00 0.00 C ATOM 2077 C VAL B 86 -5.231 9.010 0.814 1.00 0.00 C ATOM 2078 O VAL B 86 -5.341 7.867 1.263 1.00 0.00 O ATOM 2079 CB VAL B 86 -5.212 10.985 2.331 1.00 0.00 C ATOM 2080 CG1 VAL B 86 -5.751 10.266 3.555 1.00 0.00 C ATOM 2081 CG2 VAL B 86 -4.444 12.234 2.735 1.00 0.00 C ATOM 0 H VAL B 86 -3.696 11.798 0.536 1.00 0.00 H new ATOM 0 HA VAL B 86 -3.619 9.521 2.135 1.00 0.00 H new ATOM 0 HB VAL B 86 -6.056 11.295 1.715 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -6.371 10.949 4.135 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -6.349 9.411 3.241 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -4.920 9.921 4.170 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -5.090 12.883 3.326 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -3.574 11.951 3.328 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -4.117 12.765 1.841 1.00 0.00 H new ATOM 2091 N LYS B 87 -5.853 9.422 -0.279 1.00 0.00 N ATOM 2092 CA LYS B 87 -6.772 8.567 -1.017 1.00 0.00 C ATOM 2093 C LYS B 87 -6.058 7.338 -1.587 1.00 0.00 C ATOM 2094 O LYS B 87 -6.558 6.217 -1.485 1.00 0.00 O ATOM 2095 CB LYS B 87 -7.436 9.378 -2.132 1.00 0.00 C ATOM 2096 CG LYS B 87 -7.986 10.717 -1.650 1.00 0.00 C ATOM 2097 CD LYS B 87 -7.830 11.798 -2.707 1.00 0.00 C ATOM 2098 CE LYS B 87 -8.082 13.189 -2.142 1.00 0.00 C ATOM 2099 NZ LYS B 87 -7.798 14.259 -3.143 1.00 0.00 N ATOM 0 H LYS B 87 -5.737 10.353 -0.679 1.00 0.00 H new ATOM 0 HA LYS B 87 -7.538 8.204 -0.331 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -6.711 9.554 -2.926 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -8.247 8.793 -2.565 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -9.040 10.607 -1.393 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -7.466 11.019 -0.741 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -6.825 11.753 -3.125 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -8.525 11.608 -3.525 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -9.119 13.265 -1.815 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -7.458 13.341 -1.262 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -8.109 15.177 -2.767 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -6.777 14.292 -3.336 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -8.310 14.054 -4.025 1.00 0.00 H new ATOM 2113 N GLU B 88 -4.886 7.557 -2.174 1.00 0.00 N ATOM 2114 CA GLU B 88 -4.095 6.476 -2.744 1.00 0.00 C ATOM 2115 C GLU B 88 -3.653 5.522 -1.642 1.00 0.00 C ATOM 2116 O GLU B 88 -3.669 4.308 -1.820 1.00 0.00 O ATOM 2117 CB GLU B 88 -2.870 7.034 -3.483 1.00 0.00 C ATOM 2118 CG GLU B 88 -3.187 7.580 -4.870 1.00 0.00 C ATOM 2119 CD GLU B 88 -2.058 8.414 -5.455 1.00 0.00 C ATOM 2120 OE1 GLU B 88 -1.958 9.611 -5.104 1.00 0.00 O ATOM 2121 OE2 GLU B 88 -1.283 7.888 -6.279 1.00 0.00 O ATOM 0 H GLU B 88 -4.462 8.480 -2.267 1.00 0.00 H new ATOM 0 HA GLU B 88 -4.711 5.933 -3.461 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -2.425 7.828 -2.883 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -2.122 6.246 -3.575 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -3.402 6.748 -5.541 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -4.090 8.188 -4.817 1.00 0.00 H new ATOM 2128 N ARG B 89 -3.291 6.089 -0.492 1.00 0.00 N ATOM 2129 CA ARG B 89 -2.844 5.308 0.659 1.00 0.00 C ATOM 2130 C ARG B 89 -3.840 4.211 1.016 1.00 0.00 C ATOM 2131 O ARG B 89 -3.474 3.042 1.135 1.00 0.00 O ATOM 2132 CB ARG B 89 -2.646 6.210 1.880 1.00 0.00 C ATOM 2133 CG ARG B 89 -2.332 5.440 3.158 1.00 0.00 C ATOM 2134 CD ARG B 89 -2.735 6.217 4.402 1.00 0.00 C ATOM 2135 NE ARG B 89 -4.135 6.000 4.773 1.00 0.00 N ATOM 2136 CZ ARG B 89 -4.555 5.866 6.032 1.00 0.00 C ATOM 2137 NH1 ARG B 89 -3.700 5.981 7.037 1.00 0.00 N ATOM 2138 NH2 ARG B 89 -5.833 5.635 6.286 1.00 0.00 N ATOM 0 H ARG B 89 -3.299 7.096 -0.333 1.00 0.00 H new ATOM 0 HA ARG B 89 -1.896 4.847 0.380 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -1.835 6.910 1.678 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -3.547 6.803 2.034 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -2.854 4.483 3.143 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -1.265 5.221 3.197 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -2.093 5.924 5.233 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -2.569 7.281 4.231 1.00 0.00 H new ATOM 0 HE ARG B 89 -4.828 5.948 4.026 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -2.716 6.173 6.850 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -4.026 5.878 7.998 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -6.500 5.559 5.518 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -6.151 5.533 7.250 1.00 0.00 H new ATOM 2152 N ASP B 90 -5.097 4.593 1.176 1.00 0.00 N ATOM 2153 CA ASP B 90 -6.132 3.640 1.551 1.00 0.00 C ATOM 2154 C ASP B 90 -6.461 2.659 0.441 1.00 0.00 C ATOM 2155 O ASP B 90 -6.717 1.492 0.722 1.00 0.00 O ATOM 2156 CB ASP B 90 -7.394 4.356 2.016 1.00 0.00 C ATOM 2157 CG ASP B 90 -7.370 4.590 3.507 1.00 0.00 C ATOM 2158 OD1 ASP B 90 -7.668 3.639 4.259 1.00 0.00 O ATOM 2159 OD2 ASP B 90 -7.013 5.707 3.931 1.00 0.00 O ATOM 0 H ASP B 90 -5.425 5.551 1.053 1.00 0.00 H new ATOM 0 HA ASP B 90 -5.727 3.060 2.380 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -7.486 5.310 1.497 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -8.270 3.763 1.752 1.00 0.00 H new ATOM 2164 N ALA B 91 -6.402 3.101 -0.807 1.00 0.00 N ATOM 2165 CA ALA B 91 -6.718 2.222 -1.923 1.00 0.00 C ATOM 2166 C ALA B 91 -5.628 1.181 -2.051 1.00 0.00 C ATOM 2167 O ALA B 91 -5.888 0.009 -2.327 1.00 0.00 O ATOM 2168 CB ALA B 91 -6.873 3.009 -3.212 1.00 0.00 C ATOM 0 H ALA B 91 -6.142 4.051 -1.070 1.00 0.00 H new ATOM 0 HA ALA B 91 -7.670 1.727 -1.733 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -7.109 2.327 -4.029 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -7.679 3.734 -3.101 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -5.943 3.532 -3.433 1.00 0.00 H new ATOM 2174 N VAL B 92 -4.401 1.630 -1.841 1.00 0.00 N ATOM 2175 CA VAL B 92 -3.253 0.756 -1.874 1.00 0.00 C ATOM 2176 C VAL B 92 -3.361 -0.230 -0.721 1.00 0.00 C ATOM 2177 O VAL B 92 -3.145 -1.426 -0.885 1.00 0.00 O ATOM 2178 CB VAL B 92 -1.942 1.563 -1.759 1.00 0.00 C ATOM 2179 CG1 VAL B 92 -0.767 0.660 -1.452 1.00 0.00 C ATOM 2180 CG2 VAL B 92 -1.686 2.343 -3.032 1.00 0.00 C ATOM 0 H VAL B 92 -4.180 2.606 -1.644 1.00 0.00 H new ATOM 0 HA VAL B 92 -3.234 0.223 -2.824 1.00 0.00 H new ATOM 0 HB VAL B 92 -2.054 2.265 -0.932 1.00 0.00 H new ATOM 0 HG11 VAL B 92 0.141 1.258 -1.377 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -0.941 0.145 -0.507 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -0.654 -0.074 -2.250 1.00 0.00 H new ATOM 0 HG21 VAL B 92 -0.758 2.906 -2.933 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -1.604 1.653 -3.871 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -2.512 3.032 -3.209 1.00 0.00 H new ATOM 2190 N LYS B 93 -3.726 0.304 0.439 1.00 0.00 N ATOM 2191 CA LYS B 93 -3.905 -0.485 1.648 1.00 0.00 C ATOM 2192 C LYS B 93 -4.912 -1.596 1.411 1.00 0.00 C ATOM 2193 O LYS B 93 -4.620 -2.772 1.622 1.00 0.00 O ATOM 2194 CB LYS B 93 -4.405 0.421 2.779 1.00 0.00 C ATOM 2195 CG LYS B 93 -4.578 -0.284 4.115 1.00 0.00 C ATOM 2196 CD LYS B 93 -6.009 -0.766 4.339 1.00 0.00 C ATOM 2197 CE LYS B 93 -6.932 0.363 4.781 1.00 0.00 C ATOM 2198 NZ LYS B 93 -7.606 1.028 3.631 1.00 0.00 N ATOM 0 H LYS B 93 -3.906 1.300 0.566 1.00 0.00 H new ATOM 0 HA LYS B 93 -2.948 -0.928 1.923 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -3.704 1.246 2.905 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -5.360 0.856 2.485 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -3.899 -1.135 4.164 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -4.296 0.395 4.920 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -6.391 -1.206 3.418 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -6.012 -1.553 5.094 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -7.686 -0.033 5.461 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -6.357 1.102 5.338 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -7.820 2.016 3.878 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -6.979 1.006 2.801 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -8.490 0.527 3.410 1.00 0.00 H new ATOM 2212 N ASP B 94 -6.093 -1.199 0.975 1.00 0.00 N ATOM 2213 CA ASP B 94 -7.184 -2.127 0.710 1.00 0.00 C ATOM 2214 C ASP B 94 -6.761 -3.195 -0.286 1.00 0.00 C ATOM 2215 O ASP B 94 -6.857 -4.387 0.000 1.00 0.00 O ATOM 2216 CB ASP B 94 -8.405 -1.361 0.184 1.00 0.00 C ATOM 2217 CG ASP B 94 -9.045 -0.489 1.248 1.00 0.00 C ATOM 2218 OD1 ASP B 94 -8.973 -0.849 2.442 1.00 0.00 O ATOM 2219 OD2 ASP B 94 -9.589 0.575 0.900 1.00 0.00 O ATOM 0 H ASP B 94 -6.326 -0.223 0.793 1.00 0.00 H new ATOM 0 HA ASP B 94 -7.449 -2.623 1.644 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -8.104 -0.739 -0.659 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -9.142 -2.071 -0.191 1.00 0.00 H new ATOM 2224 N LEU B 95 -6.260 -2.764 -1.439 1.00 0.00 N ATOM 2225 CA LEU B 95 -5.818 -3.692 -2.472 1.00 0.00 C ATOM 2226 C LEU B 95 -4.758 -4.640 -1.923 1.00 0.00 C ATOM 2227 O LEU B 95 -4.846 -5.857 -2.102 1.00 0.00 O ATOM 2228 CB LEU B 95 -5.268 -2.930 -3.681 1.00 0.00 C ATOM 2229 CG LEU B 95 -5.097 -3.769 -4.948 1.00 0.00 C ATOM 2230 CD1 LEU B 95 -6.449 -4.234 -5.467 1.00 0.00 C ATOM 2231 CD2 LEU B 95 -4.361 -2.979 -6.016 1.00 0.00 C ATOM 0 H LEU B 95 -6.150 -1.779 -1.681 1.00 0.00 H new ATOM 0 HA LEU B 95 -6.679 -4.279 -2.792 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -5.936 -2.097 -3.902 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -4.302 -2.502 -3.413 1.00 0.00 H new ATOM 0 HG LEU B 95 -4.502 -4.648 -4.699 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -6.307 -4.829 -6.369 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -6.942 -4.839 -4.706 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -7.068 -3.367 -5.698 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -4.249 -3.593 -6.910 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -4.929 -2.081 -6.261 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -3.376 -2.695 -5.645 1.00 0.00 H new ATOM 2243 N LEU B 96 -3.774 -4.080 -1.230 1.00 0.00 N ATOM 2244 CA LEU B 96 -2.699 -4.870 -0.651 1.00 0.00 C ATOM 2245 C LEU B 96 -3.230 -5.898 0.335 1.00 0.00 C ATOM 2246 O LEU B 96 -2.988 -7.085 0.170 1.00 0.00 O ATOM 2247 CB LEU B 96 -1.677 -3.976 0.054 1.00 0.00 C ATOM 2248 CG LEU B 96 -0.520 -3.491 -0.819 1.00 0.00 C ATOM 2249 CD1 LEU B 96 0.296 -2.448 -0.079 1.00 0.00 C ATOM 2250 CD2 LEU B 96 0.366 -4.658 -1.227 1.00 0.00 C ATOM 0 H LEU B 96 -3.700 -3.078 -1.056 1.00 0.00 H new ATOM 0 HA LEU B 96 -2.212 -5.393 -1.474 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -2.196 -3.106 0.456 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -1.266 -4.522 0.903 1.00 0.00 H new ATOM 0 HG LEU B 96 -0.934 -3.039 -1.720 1.00 0.00 H new ATOM 0 HD11 LEU B 96 1.117 -2.111 -0.712 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -0.340 -1.599 0.172 1.00 0.00 H new ATOM 0 HD13 LEU B 96 0.699 -2.883 0.836 1.00 0.00 H new ATOM 0 HD21 LEU B 96 1.184 -4.294 -1.848 1.00 0.00 H new ATOM 0 HD22 LEU B 96 0.772 -5.136 -0.335 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -0.223 -5.382 -1.790 1.00 0.00 H new ATOM 2262 N GLN B 97 -3.990 -5.454 1.333 1.00 0.00 N ATOM 2263 CA GLN B 97 -4.496 -6.372 2.349 1.00 0.00 C ATOM 2264 C GLN B 97 -5.489 -7.373 1.778 1.00 0.00 C ATOM 2265 O GLN B 97 -5.689 -8.430 2.358 1.00 0.00 O ATOM 2266 CB GLN B 97 -5.079 -5.623 3.558 1.00 0.00 C ATOM 2267 CG GLN B 97 -6.445 -4.998 3.361 1.00 0.00 C ATOM 2268 CD GLN B 97 -7.022 -4.478 4.669 1.00 0.00 C ATOM 2269 OE1 GLN B 97 -6.615 -5.079 5.786 1.00 0.00 O flip ATOM 2270 NE2 GLN B 97 -7.810 -3.537 4.681 1.00 0.00 N flip ATOM 0 H GLN B 97 -4.266 -4.480 1.459 1.00 0.00 H new ATOM 0 HA GLN B 97 -3.639 -6.944 2.705 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -5.137 -6.318 4.396 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -4.380 -4.837 3.844 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -6.370 -4.179 2.646 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -7.124 -5.735 2.932 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -8.099 -3.102 3.805 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -8.176 -3.190 5.567 1.00 0.00 H new ATOM 2279 N GLN B 98 -6.089 -7.056 0.640 1.00 0.00 N ATOM 2280 CA GLN B 98 -7.030 -7.970 0.008 1.00 0.00 C ATOM 2281 C GLN B 98 -6.286 -9.080 -0.726 1.00 0.00 C ATOM 2282 O GLN B 98 -6.689 -10.242 -0.696 1.00 0.00 O ATOM 2283 CB GLN B 98 -7.934 -7.231 -0.979 1.00 0.00 C ATOM 2284 CG GLN B 98 -9.159 -6.606 -0.341 1.00 0.00 C ATOM 2285 CD GLN B 98 -10.117 -6.034 -1.367 1.00 0.00 C ATOM 2286 OE1 GLN B 98 -10.017 -4.871 -1.749 1.00 0.00 O ATOM 2287 NE2 GLN B 98 -11.046 -6.854 -1.831 1.00 0.00 N ATOM 0 H GLN B 98 -5.943 -6.180 0.138 1.00 0.00 H new ATOM 0 HA GLN B 98 -7.646 -8.405 0.795 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -7.355 -6.450 -1.472 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -8.255 -7.927 -1.754 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -9.677 -7.356 0.257 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -8.847 -5.815 0.341 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -11.097 -7.813 -1.489 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -11.712 -6.527 -2.531 1.00 0.00 H new ATOM 2296 N LEU B 99 -5.194 -8.717 -1.385 1.00 0.00 N ATOM 2297 CA LEU B 99 -4.406 -9.678 -2.148 1.00 0.00 C ATOM 2298 C LEU B 99 -3.361 -10.371 -1.280 1.00 0.00 C ATOM 2299 O LEU B 99 -2.910 -11.471 -1.598 1.00 0.00 O ATOM 2300 CB LEU B 99 -3.728 -8.978 -3.320 1.00 0.00 C ATOM 2301 CG LEU B 99 -4.689 -8.293 -4.282 1.00 0.00 C ATOM 2302 CD1 LEU B 99 -3.992 -7.159 -5.017 1.00 0.00 C ATOM 2303 CD2 LEU B 99 -5.269 -9.296 -5.266 1.00 0.00 C ATOM 0 H LEU B 99 -4.833 -7.763 -1.407 1.00 0.00 H new ATOM 0 HA LEU B 99 -5.086 -10.444 -2.521 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -3.031 -8.236 -2.931 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -3.138 -9.709 -3.873 1.00 0.00 H new ATOM 0 HG LEU B 99 -5.510 -7.871 -3.703 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -4.695 -6.682 -5.700 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -3.632 -6.425 -4.296 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -3.149 -7.556 -5.583 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -5.953 -8.786 -5.944 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -4.462 -9.752 -5.839 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -5.809 -10.070 -4.721 1.00 0.00 H new ATOM 2315 N LEU B 100 -2.991 -9.721 -0.183 1.00 0.00 N ATOM 2316 CA LEU B 100 -1.988 -10.243 0.746 1.00 0.00 C ATOM 2317 C LEU B 100 -2.203 -11.711 1.120 1.00 0.00 C ATOM 2318 O LEU B 100 -1.319 -12.539 0.882 1.00 0.00 O ATOM 2319 CB LEU B 100 -1.918 -9.373 2.008 1.00 0.00 C ATOM 2320 CG LEU B 100 -0.906 -8.240 1.922 1.00 0.00 C ATOM 2321 CD1 LEU B 100 -0.849 -7.441 3.217 1.00 0.00 C ATOM 2322 CD2 LEU B 100 0.447 -8.821 1.589 1.00 0.00 C ATOM 0 H LEU B 100 -3.376 -8.817 0.090 1.00 0.00 H new ATOM 0 HA LEU B 100 -1.035 -10.199 0.218 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -2.904 -8.952 2.202 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -1.669 -10.006 2.860 1.00 0.00 H new ATOM 0 HG LEU B 100 -1.213 -7.549 1.137 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -0.116 -6.641 3.119 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -1.829 -7.012 3.423 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -0.561 -8.098 4.038 1.00 0.00 H new ATOM 0 HD21 LEU B 100 1.182 -8.018 1.524 1.00 0.00 H new ATOM 0 HD22 LEU B 100 0.744 -9.523 2.369 1.00 0.00 H new ATOM 0 HD23 LEU B 100 0.394 -9.342 0.633 1.00 0.00 H new ATOM 2334 N PRO B 101 -3.368 -12.077 1.685 1.00 0.00 N ATOM 2335 CA PRO B 101 -3.623 -13.454 2.088 1.00 0.00 C ATOM 2336 C PRO B 101 -3.997 -14.354 0.914 1.00 0.00 C ATOM 2337 O PRO B 101 -4.099 -15.569 1.060 1.00 0.00 O ATOM 2338 CB PRO B 101 -4.773 -13.318 3.081 1.00 0.00 C ATOM 2339 CG PRO B 101 -5.511 -12.092 2.664 1.00 0.00 C ATOM 2340 CD PRO B 101 -4.516 -11.196 1.977 1.00 0.00 C ATOM 0 HA PRO B 101 -2.739 -13.931 2.512 1.00 0.00 H new ATOM 0 HB2 PRO B 101 -5.420 -14.194 3.055 1.00 0.00 H new ATOM 0 HB3 PRO B 101 -4.402 -13.226 4.102 1.00 0.00 H new ATOM 0 HG2 PRO B 101 -6.331 -12.345 1.992 1.00 0.00 H new ATOM 0 HG3 PRO B 101 -5.949 -11.592 3.528 1.00 0.00 H new ATOM 0 HD2 PRO B 101 -4.931 -10.768 1.064 1.00 0.00 H new ATOM 0 HD3 PRO B 101 -4.225 -10.362 2.616 1.00 0.00 H new ATOM 2348 N LYS B 102 -4.185 -13.753 -0.254 1.00 0.00 N ATOM 2349 CA LYS B 102 -4.534 -14.506 -1.452 1.00 0.00 C ATOM 2350 C LYS B 102 -3.282 -15.105 -2.082 1.00 0.00 C ATOM 2351 O LYS B 102 -3.331 -16.151 -2.723 1.00 0.00 O ATOM 2352 CB LYS B 102 -5.241 -13.610 -2.472 1.00 0.00 C ATOM 2353 CG LYS B 102 -6.665 -13.244 -2.094 1.00 0.00 C ATOM 2354 CD LYS B 102 -7.370 -12.528 -3.237 1.00 0.00 C ATOM 2355 CE LYS B 102 -8.812 -12.197 -2.890 1.00 0.00 C ATOM 2356 NZ LYS B 102 -8.909 -11.074 -1.922 1.00 0.00 N ATOM 0 H LYS B 102 -4.102 -12.747 -0.397 1.00 0.00 H new ATOM 0 HA LYS B 102 -5.212 -15.308 -1.160 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -4.663 -12.694 -2.597 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -5.251 -14.115 -3.438 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -7.217 -14.146 -1.830 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -6.657 -12.605 -1.211 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -6.834 -11.610 -3.477 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -7.345 -13.154 -4.129 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -9.354 -11.939 -3.800 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -9.296 -13.079 -2.471 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -9.347 -11.412 -1.041 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -7.957 -10.709 -1.718 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -9.491 -10.314 -2.329 1.00 0.00 H new ATOM 2370 N PHE B 103 -2.160 -14.425 -1.893 1.00 0.00 N ATOM 2371 CA PHE B 103 -0.892 -14.877 -2.443 1.00 0.00 C ATOM 2372 C PHE B 103 -0.009 -15.459 -1.357 1.00 0.00 C ATOM 2373 O PHE B 103 1.131 -15.821 -1.614 1.00 0.00 O ATOM 2374 CB PHE B 103 -0.186 -13.732 -3.167 1.00 0.00 C ATOM 2375 CG PHE B 103 -0.914 -13.309 -4.412 1.00 0.00 C ATOM 2376 CD1 PHE B 103 -1.910 -12.347 -4.360 1.00 0.00 C ATOM 2377 CD2 PHE B 103 -0.619 -13.894 -5.633 1.00 0.00 C ATOM 2378 CE1 PHE B 103 -2.595 -11.975 -5.499 1.00 0.00 C ATOM 2379 CE2 PHE B 103 -1.304 -13.528 -6.776 1.00 0.00 C ATOM 2380 CZ PHE B 103 -2.292 -12.568 -6.710 1.00 0.00 C ATOM 0 H PHE B 103 -2.103 -13.556 -1.361 1.00 0.00 H new ATOM 0 HA PHE B 103 -1.094 -15.666 -3.167 1.00 0.00 H new ATOM 0 HB2 PHE B 103 -0.097 -12.880 -2.494 1.00 0.00 H new ATOM 0 HB3 PHE B 103 0.827 -14.040 -3.428 1.00 0.00 H new ATOM 0 HD1 PHE B 103 -2.153 -11.882 -3.416 1.00 0.00 H new ATOM 0 HD2 PHE B 103 0.155 -14.645 -5.692 1.00 0.00 H new ATOM 0 HE1 PHE B 103 -3.367 -11.222 -5.444 1.00 0.00 H new ATOM 0 HE2 PHE B 103 -1.066 -13.994 -7.721 1.00 0.00 H new ATOM 0 HZ PHE B 103 -2.828 -12.280 -7.603 1.00 0.00 H new