USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=24 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 81 ASN : amide:sc= 1.22 K(o=1.2,f=-1.4) USER MOD Set 1.2: B 83 SER OG : rot 180:sc= 0 USER MOD Set 2.1: B 56 SER OG : rot 163:sc= 0.367 USER MOD Set 2.2: B 64 GLN : amide:sc= 0.702 K(o=1.1,f=-1.8) USER MOD Set 3.1: B 17 GLN :FLIP amide:sc= -0.819 F(o=-2.2!,f=-0.91) USER MOD Set 3.2: B 20 GLN :FLIP amide:sc= -0.0931 F(o=-2.6,f=-0.91) USER MOD Single : B 13 LYS NZ :NH3+ -117:sc= 2.29 (180deg=-0.844) USER MOD Single : B 14 LYS NZ :NH3+ -157:sc= 0.91! (180deg=-0.286!) 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 155:sc= -0.18 (180deg=-1.35!) USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 45 HIS : no HD1:sc= -4.69! C(o=-4.7!,f=-5!) USER MOD Single : B 46 MET CE :methyl -177:sc= -0.222 (180deg=-0.232) USER MOD Single : B 47 TYR OH : rot 155:sc= 1.08 USER MOD Single : B 51 LYS NZ :NH3+ 164:sc= 2.22 (180deg=1.04) USER MOD Single : B 52 CYS SG : rot -175:sc= -2.47! USER MOD Single : B 53 GLN : amide:sc= -5.4 K(o=-5.4,f=-7.5!) USER MOD Single : B 54 LYS NZ :NH3+ 157:sc= 1.11 (180deg=0.964) USER MOD Single : B 60 LYS NZ :NH3+ -174:sc= 0.958 (180deg=0.828) USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 GLN : amide:sc= -1.73 K(o=-1.7,f=-5!) USER MOD Single : B 70 HIS : no HD1:sc= -5.24! C(o=-5.2!,f=-8.3!) USER MOD Single : B 74 THR OG1 : rot 180:sc= 0 USER MOD Single : B 75 THR OG1 : rot 180:sc= 0 USER MOD Single : B 76 ASN : amide:sc= 0.294 X(o=0.29,f=0) USER MOD Single : B 78 HIS :FLIP no HD1:sc= -2.18 F(o=-2.8!,f=-2.2) USER MOD Single : B 80 SER OG : rot 40:sc= -1.48! USER MOD Single : B 84 THR OG1 : rot 44:sc= 1.24 USER MOD Single : B 87 LYS NZ :NH3+ 174:sc= 1.7 (180deg=1.6) USER MOD Single : B 93 LYS NZ :NH3+ -162:sc= 0.465 (180deg=-0.777!) USER MOD Single : B 97 GLN :FLIP amide:sc= -2.82! C(o=-3.5!,f=-2.8!) USER MOD Single : B 98 GLN : amide:sc= -0.0697 X(o=-0.07,f=-0.34) USER MOD Single : B 102 LYS NZ :NH3+ 173:sc= 1.27 (180deg=1.19) USER MOD ----------------------------------------------------------------- ATOM 339 N ASP A 132 4.317 5.027 13.431 1.00 0.00 N ATOM 340 CA ASP A 132 3.025 5.696 13.556 1.00 0.00 C ATOM 341 C ASP A 132 2.157 5.365 12.365 1.00 0.00 C ATOM 342 O ASP A 132 1.817 6.236 11.563 1.00 0.00 O ATOM 343 CB ASP A 132 3.146 7.208 13.610 1.00 0.00 C ATOM 344 CG ASP A 132 4.200 7.750 14.550 1.00 0.00 C ATOM 345 OD1 ASP A 132 4.114 7.503 15.763 1.00 0.00 O ATOM 346 OD2 ASP A 132 5.098 8.475 14.058 1.00 0.00 O ATOM 0 HA ASP A 132 2.591 5.341 14.490 1.00 0.00 H new ATOM 0 HB2 ASP A 132 3.360 7.573 12.605 1.00 0.00 H new ATOM 0 HB3 ASP A 132 2.180 7.621 13.900 1.00 0.00 H new ATOM 351 N TRP A 133 1.836 4.109 12.225 1.00 0.00 N ATOM 352 CA TRP A 133 1.008 3.663 11.125 1.00 0.00 C ATOM 353 C TRP A 133 -0.161 2.849 11.631 1.00 0.00 C ATOM 354 O TRP A 133 -0.017 2.063 12.568 1.00 0.00 O ATOM 355 CB TRP A 133 1.797 2.766 10.164 1.00 0.00 C ATOM 356 CG TRP A 133 3.227 3.135 9.902 1.00 0.00 C ATOM 357 CD1 TRP A 133 4.281 3.006 10.750 1.00 0.00 C ATOM 358 CD2 TRP A 133 3.768 3.625 8.679 1.00 0.00 C ATOM 359 NE1 TRP A 133 5.432 3.431 10.137 1.00 0.00 N ATOM 360 CE2 TRP A 133 5.143 3.818 8.873 1.00 0.00 C ATOM 361 CE3 TRP A 133 3.224 3.935 7.448 1.00 0.00 C ATOM 362 CZ2 TRP A 133 5.980 4.309 7.882 1.00 0.00 C ATOM 363 CZ3 TRP A 133 4.053 4.418 6.463 1.00 0.00 C ATOM 364 CH2 TRP A 133 5.418 4.605 6.683 1.00 0.00 C ATOM 0 H TRP A 133 2.134 3.368 12.859 1.00 0.00 H new ATOM 0 HA TRP A 133 0.663 4.560 10.610 1.00 0.00 H new ATOM 0 HB2 TRP A 133 1.777 1.749 10.557 1.00 0.00 H new ATOM 0 HB3 TRP A 133 1.272 2.749 9.209 1.00 0.00 H new ATOM 0 HD1 TRP A 133 4.221 2.625 11.759 1.00 0.00 H new ATOM 0 HE1 TRP A 133 6.357 3.452 10.565 1.00 0.00 H new ATOM 0 HE3 TRP A 133 2.169 3.801 7.263 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 7.036 4.450 8.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 3.637 4.658 5.496 1.00 0.00 H new ATOM 0 HH2 TRP A 133 6.037 4.991 5.887 1.00 0.00 H new ATOM 375 N GLU A 134 -1.307 3.033 10.997 1.00 0.00 N ATOM 376 CA GLU A 134 -2.475 2.251 11.309 1.00 0.00 C ATOM 377 C GLU A 134 -2.179 0.910 10.683 1.00 0.00 C ATOM 378 O GLU A 134 -2.269 0.740 9.464 1.00 0.00 O ATOM 379 CB GLU A 134 -3.743 2.873 10.713 1.00 0.00 C ATOM 380 CG GLU A 134 -3.908 4.352 11.027 1.00 0.00 C ATOM 381 CD GLU A 134 -3.821 4.651 12.510 1.00 0.00 C ATOM 382 OE1 GLU A 134 -4.843 4.496 13.208 1.00 0.00 O ATOM 383 OE2 GLU A 134 -2.729 5.042 12.971 1.00 0.00 O ATOM 0 H GLU A 134 -1.446 3.724 10.259 1.00 0.00 H new ATOM 0 HA GLU A 134 -2.664 2.188 12.381 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -3.727 2.740 9.631 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -4.612 2.333 11.088 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -3.139 4.918 10.501 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -4.871 4.694 10.648 1.00 0.00 H new ATOM 390 N GLU A 135 -1.759 -0.015 11.513 1.00 0.00 N ATOM 391 CA GLU A 135 -1.322 -1.307 11.047 1.00 0.00 C ATOM 392 C GLU A 135 -2.429 -2.151 10.433 1.00 0.00 C ATOM 393 O GLU A 135 -3.365 -2.600 11.092 1.00 0.00 O ATOM 394 CB GLU A 135 -0.581 -2.020 12.174 1.00 0.00 C ATOM 395 CG GLU A 135 -1.272 -1.978 13.521 1.00 0.00 C ATOM 396 CD GLU A 135 -0.281 -2.130 14.657 1.00 0.00 C ATOM 397 OE1 GLU A 135 0.807 -1.515 14.577 1.00 0.00 O ATOM 398 OE2 GLU A 135 -0.566 -2.877 15.609 1.00 0.00 O ATOM 0 H GLU A 135 -1.711 0.107 12.525 1.00 0.00 H new ATOM 0 HA GLU A 135 -0.634 -1.148 10.216 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -0.434 -3.062 11.890 1.00 0.00 H new ATOM 0 HB3 GLU A 135 0.409 -1.575 12.276 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -1.807 -1.035 13.627 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -2.015 -2.774 13.575 1.00 0.00 H new ATOM 405 N VAL A 136 -2.285 -2.317 9.125 1.00 0.00 N ATOM 406 CA VAL A 136 -3.179 -3.100 8.299 1.00 0.00 C ATOM 407 C VAL A 136 -2.712 -4.541 8.264 1.00 0.00 C ATOM 408 O VAL A 136 -1.521 -4.816 8.156 1.00 0.00 O ATOM 409 CB VAL A 136 -3.200 -2.516 6.888 1.00 0.00 C ATOM 410 CG1 VAL A 136 -4.028 -3.320 5.928 1.00 0.00 C ATOM 411 CG2 VAL A 136 -3.660 -1.096 6.962 1.00 0.00 C ATOM 0 H VAL A 136 -1.519 -1.896 8.599 1.00 0.00 H new ATOM 0 HA VAL A 136 -4.186 -3.069 8.714 1.00 0.00 H new ATOM 0 HB VAL A 136 -2.187 -2.555 6.488 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -4.001 -2.852 4.944 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -3.627 -4.331 5.860 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -5.058 -3.362 6.282 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -3.679 -0.667 5.960 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -4.661 -1.060 7.392 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -2.975 -0.524 7.588 1.00 0.00 H new ATOM 421 N GLU A 137 -3.657 -5.446 8.323 1.00 0.00 N ATOM 422 CA GLU A 137 -3.350 -6.872 8.381 1.00 0.00 C ATOM 423 C GLU A 137 -4.010 -7.682 7.286 1.00 0.00 C ATOM 424 O GLU A 137 -4.993 -7.247 6.695 1.00 0.00 O ATOM 425 CB GLU A 137 -3.746 -7.425 9.735 1.00 0.00 C ATOM 426 CG GLU A 137 -2.814 -6.962 10.823 1.00 0.00 C ATOM 427 CD GLU A 137 -1.537 -7.785 10.876 1.00 0.00 C ATOM 428 OE1 GLU A 137 -1.603 -9.009 10.625 1.00 0.00 O ATOM 429 OE2 GLU A 137 -0.460 -7.215 11.146 1.00 0.00 O ATOM 0 H GLU A 137 -4.654 -5.229 8.333 1.00 0.00 H new ATOM 0 HA GLU A 137 -2.275 -6.963 8.227 1.00 0.00 H new ATOM 0 HB2 GLU A 137 -4.763 -7.114 9.971 1.00 0.00 H new ATOM 0 HB3 GLU A 137 -3.747 -8.514 9.696 1.00 0.00 H new ATOM 0 HG2 GLU A 137 -2.562 -5.914 10.661 1.00 0.00 H new ATOM 0 HG3 GLU A 137 -3.323 -7.023 11.785 1.00 0.00 H new ATOM 436 N GLU A 138 -3.398 -8.832 6.991 1.00 0.00 N ATOM 437 CA GLU A 138 -3.898 -9.774 5.990 1.00 0.00 C ATOM 438 C GLU A 138 -5.414 -9.921 6.135 1.00 0.00 C ATOM 439 O GLU A 138 -5.914 -10.513 7.090 1.00 0.00 O ATOM 440 CB GLU A 138 -3.198 -11.126 6.181 1.00 0.00 C ATOM 441 CG GLU A 138 -2.803 -11.399 7.632 1.00 0.00 C ATOM 442 CD GLU A 138 -1.947 -12.639 7.801 1.00 0.00 C ATOM 443 OE1 GLU A 138 -2.341 -13.707 7.303 1.00 0.00 O ATOM 444 OE2 GLU A 138 -0.871 -12.553 8.444 1.00 0.00 O ATOM 0 H GLU A 138 -2.536 -9.136 7.444 1.00 0.00 H new ATOM 0 HA GLU A 138 -3.684 -9.404 4.987 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -3.858 -11.922 5.835 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -2.306 -11.157 5.556 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -2.261 -10.537 8.021 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -3.706 -11.506 8.233 1.00 0.00 H new ATOM 451 N LEU A 139 -6.127 -9.365 5.172 1.00 0.00 N ATOM 452 CA LEU A 139 -7.576 -9.340 5.190 1.00 0.00 C ATOM 453 C LEU A 139 -8.190 -10.425 4.315 1.00 0.00 C ATOM 454 O LEU A 139 -7.722 -10.698 3.213 1.00 0.00 O ATOM 455 CB LEU A 139 -8.029 -7.959 4.724 1.00 0.00 C ATOM 456 CG LEU A 139 -9.458 -7.855 4.203 1.00 0.00 C ATOM 457 CD1 LEU A 139 -10.463 -8.072 5.327 1.00 0.00 C ATOM 458 CD2 LEU A 139 -9.692 -6.508 3.539 1.00 0.00 C ATOM 0 H LEU A 139 -5.715 -8.917 4.354 1.00 0.00 H new ATOM 0 HA LEU A 139 -7.917 -9.539 6.206 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -7.917 -7.264 5.556 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -7.353 -7.625 3.937 1.00 0.00 H new ATOM 0 HG LEU A 139 -9.601 -8.638 3.458 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -11.475 -7.993 4.930 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -10.319 -9.063 5.758 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -10.315 -7.316 6.098 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -10.718 -6.455 3.175 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -9.523 -5.711 4.263 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -9.003 -6.390 2.702 1.00 0.00 H new ATOM 815 N VAL B 8 -0.505 -4.846 -13.474 1.00 0.00 N ATOM 816 CA VAL B 8 -0.487 -3.723 -12.554 1.00 0.00 C ATOM 817 C VAL B 8 -1.908 -3.215 -12.341 1.00 0.00 C ATOM 818 O VAL B 8 -2.424 -2.414 -13.118 1.00 0.00 O ATOM 819 CB VAL B 8 0.401 -2.570 -13.067 1.00 0.00 C ATOM 820 CG1 VAL B 8 0.625 -1.546 -11.967 1.00 0.00 C ATOM 821 CG2 VAL B 8 1.730 -3.100 -13.587 1.00 0.00 C ATOM 0 HA VAL B 8 -0.066 -4.073 -11.612 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.114 -2.082 -13.895 1.00 0.00 H new ATOM 0 HG11 VAL B 8 1.253 -0.739 -12.344 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -0.335 -1.140 -11.647 1.00 0.00 H new ATOM 0 HG13 VAL B 8 1.117 -2.024 -11.120 1.00 0.00 H new ATOM 0 HG21 VAL B 8 2.339 -2.269 -13.943 1.00 0.00 H new ATOM 0 HG22 VAL B 8 2.255 -3.616 -12.784 1.00 0.00 H new ATOM 0 HG23 VAL B 8 1.549 -3.795 -14.407 1.00 0.00 H new ATOM 831 N LEU B 9 -2.526 -3.714 -11.287 1.00 0.00 N ATOM 832 CA LEU B 9 -3.890 -3.368 -10.932 1.00 0.00 C ATOM 833 C LEU B 9 -4.002 -1.922 -10.465 1.00 0.00 C ATOM 834 O LEU B 9 -4.923 -1.203 -10.851 1.00 0.00 O ATOM 835 CB LEU B 9 -4.371 -4.305 -9.827 1.00 0.00 C ATOM 836 CG LEU B 9 -4.261 -5.801 -10.146 1.00 0.00 C ATOM 837 CD1 LEU B 9 -4.684 -6.638 -8.951 1.00 0.00 C ATOM 838 CD2 LEU B 9 -5.096 -6.156 -11.367 1.00 0.00 C ATOM 0 H LEU B 9 -2.091 -4.378 -10.646 1.00 0.00 H new ATOM 0 HA LEU B 9 -4.513 -3.477 -11.820 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -3.798 -4.099 -8.923 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -5.412 -4.073 -9.604 1.00 0.00 H new ATOM 0 HG LEU B 9 -3.217 -6.023 -10.369 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -4.598 -7.696 -9.199 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -4.040 -6.411 -8.102 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -5.718 -6.408 -8.694 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -5.003 -7.222 -11.574 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -6.141 -5.914 -11.176 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -4.743 -5.587 -12.227 1.00 0.00 H new ATOM 850 N LEU B 10 -3.067 -1.502 -9.634 1.00 0.00 N ATOM 851 CA LEU B 10 -3.087 -0.143 -9.108 1.00 0.00 C ATOM 852 C LEU B 10 -1.775 0.591 -9.353 1.00 0.00 C ATOM 853 O LEU B 10 -0.707 0.136 -8.951 1.00 0.00 O ATOM 854 CB LEU B 10 -3.421 -0.146 -7.620 1.00 0.00 C ATOM 855 CG LEU B 10 -4.016 1.166 -7.107 1.00 0.00 C ATOM 856 CD1 LEU B 10 -5.353 1.445 -7.775 1.00 0.00 C ATOM 857 CD2 LEU B 10 -4.176 1.132 -5.597 1.00 0.00 C ATOM 0 H LEU B 10 -2.288 -2.074 -9.308 1.00 0.00 H new ATOM 0 HA LEU B 10 -3.867 0.395 -9.647 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -4.125 -0.954 -7.419 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -2.514 -0.365 -7.056 1.00 0.00 H new ATOM 0 HG LEU B 10 -3.327 1.972 -7.361 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -5.760 2.383 -7.397 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -5.212 1.519 -8.853 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -6.046 0.633 -7.555 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -4.601 2.076 -5.255 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -4.840 0.313 -5.320 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -3.202 0.983 -5.131 1.00 0.00 H new ATOM 869 N ILE B 11 -1.871 1.733 -10.023 1.00 0.00 N ATOM 870 CA ILE B 11 -0.707 2.557 -10.316 1.00 0.00 C ATOM 871 C ILE B 11 -0.746 3.835 -9.492 1.00 0.00 C ATOM 872 O ILE B 11 -1.649 4.663 -9.650 1.00 0.00 O ATOM 873 CB ILE B 11 -0.619 2.925 -11.815 1.00 0.00 C ATOM 874 CG1 ILE B 11 -0.527 1.658 -12.669 1.00 0.00 C ATOM 875 CG2 ILE B 11 0.580 3.833 -12.074 1.00 0.00 C ATOM 876 CD1 ILE B 11 -0.560 1.924 -14.159 1.00 0.00 C ATOM 0 H ILE B 11 -2.750 2.111 -10.376 1.00 0.00 H new ATOM 0 HA ILE B 11 0.174 1.970 -10.056 1.00 0.00 H new ATOM 0 HB ILE B 11 -1.524 3.465 -12.093 1.00 0.00 H new ATOM 0 HG12 ILE B 11 0.395 1.131 -12.423 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -1.352 0.995 -12.409 1.00 0.00 H new ATOM 0 HG21 ILE B 11 0.626 4.082 -13.134 1.00 0.00 H new ATOM 0 HG22 ILE B 11 0.476 4.748 -11.491 1.00 0.00 H new ATOM 0 HG23 ILE B 11 1.496 3.319 -11.782 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -0.491 0.980 -14.699 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -1.494 2.423 -14.419 1.00 0.00 H new ATOM 0 HD13 ILE B 11 0.281 2.561 -14.434 1.00 0.00 H new ATOM 888 N VAL B 12 0.224 3.979 -8.610 1.00 0.00 N ATOM 889 CA VAL B 12 0.327 5.148 -7.759 1.00 0.00 C ATOM 890 C VAL B 12 1.483 6.018 -8.230 1.00 0.00 C ATOM 891 O VAL B 12 2.537 5.511 -8.612 1.00 0.00 O ATOM 892 CB VAL B 12 0.532 4.757 -6.283 1.00 0.00 C ATOM 893 CG1 VAL B 12 0.430 5.976 -5.382 1.00 0.00 C ATOM 894 CG2 VAL B 12 -0.482 3.700 -5.870 1.00 0.00 C ATOM 0 H VAL B 12 0.962 3.290 -8.463 1.00 0.00 H new ATOM 0 HA VAL B 12 -0.608 5.704 -7.829 1.00 0.00 H new ATOM 0 HB VAL B 12 1.533 4.339 -6.175 1.00 0.00 H new ATOM 0 HG11 VAL B 12 0.578 5.675 -4.345 1.00 0.00 H new ATOM 0 HG12 VAL B 12 1.194 6.701 -5.662 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -0.556 6.428 -5.491 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -0.325 3.434 -4.825 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -1.490 4.094 -5.996 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -0.358 2.814 -6.493 1.00 0.00 H new ATOM 904 N LYS B 13 1.280 7.321 -8.207 1.00 0.00 N ATOM 905 CA LYS B 13 2.294 8.263 -8.663 1.00 0.00 C ATOM 906 C LYS B 13 3.092 8.816 -7.494 1.00 0.00 C ATOM 907 O LYS B 13 2.801 8.498 -6.344 1.00 0.00 O ATOM 908 CB LYS B 13 1.654 9.423 -9.442 1.00 0.00 C ATOM 909 CG LYS B 13 0.548 8.997 -10.396 1.00 0.00 C ATOM 910 CD LYS B 13 -0.772 8.823 -9.664 1.00 0.00 C ATOM 911 CE LYS B 13 -1.659 7.796 -10.344 1.00 0.00 C ATOM 912 NZ LYS B 13 -2.649 7.212 -9.400 1.00 0.00 N ATOM 0 H LYS B 13 0.419 7.757 -7.876 1.00 0.00 H new ATOM 0 HA LYS B 13 2.969 7.720 -9.325 1.00 0.00 H new ATOM 0 HB2 LYS B 13 1.248 10.143 -8.731 1.00 0.00 H new ATOM 0 HB3 LYS B 13 2.430 9.937 -10.009 1.00 0.00 H new ATOM 0 HG2 LYS B 13 0.435 9.743 -11.183 1.00 0.00 H new ATOM 0 HG3 LYS B 13 0.824 8.061 -10.882 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -0.580 8.515 -8.636 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -1.292 9.780 -9.618 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -2.183 8.263 -11.178 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -1.041 7.001 -10.761 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -2.473 6.192 -9.299 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -2.557 7.673 -8.472 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -3.610 7.362 -9.768 1.00 0.00 H new ATOM 926 N LYS B 14 4.035 9.699 -7.831 1.00 0.00 N ATOM 927 CA LYS B 14 4.955 10.359 -6.899 1.00 0.00 C ATOM 928 C LYS B 14 5.038 9.710 -5.513 1.00 0.00 C ATOM 929 O LYS B 14 4.524 10.238 -4.526 1.00 0.00 O ATOM 930 CB LYS B 14 4.549 11.823 -6.763 1.00 0.00 C ATOM 931 CG LYS B 14 4.788 12.640 -8.023 1.00 0.00 C ATOM 932 CD LYS B 14 4.295 14.068 -7.864 1.00 0.00 C ATOM 933 CE LYS B 14 5.249 14.899 -7.022 1.00 0.00 C ATOM 934 NZ LYS B 14 4.533 15.675 -5.978 1.00 0.00 N ATOM 0 H LYS B 14 4.185 9.986 -8.798 1.00 0.00 H new ATOM 0 HA LYS B 14 5.953 10.256 -7.325 1.00 0.00 H new ATOM 0 HB2 LYS B 14 3.492 11.876 -6.501 1.00 0.00 H new ATOM 0 HB3 LYS B 14 5.105 12.271 -5.939 1.00 0.00 H new ATOM 0 HG2 LYS B 14 5.852 12.646 -8.257 1.00 0.00 H new ATOM 0 HG3 LYS B 14 4.279 12.170 -8.864 1.00 0.00 H new ATOM 0 HD2 LYS B 14 4.183 14.526 -8.847 1.00 0.00 H new ATOM 0 HD3 LYS B 14 3.309 14.063 -7.400 1.00 0.00 H new ATOM 0 HE2 LYS B 14 5.981 14.244 -6.550 1.00 0.00 H new ATOM 0 HE3 LYS B 14 5.802 15.582 -7.667 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 5.112 16.491 -5.694 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 3.624 16.010 -6.356 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 4.361 15.068 -5.151 1.00 0.00 H new ATOM 948 N VAL B 15 5.696 8.562 -5.459 1.00 0.00 N ATOM 949 CA VAL B 15 5.908 7.836 -4.219 1.00 0.00 C ATOM 950 C VAL B 15 7.397 7.848 -3.920 1.00 0.00 C ATOM 951 O VAL B 15 8.197 7.348 -4.707 1.00 0.00 O ATOM 952 CB VAL B 15 5.421 6.367 -4.291 1.00 0.00 C ATOM 953 CG1 VAL B 15 5.701 5.636 -2.985 1.00 0.00 C ATOM 954 CG2 VAL B 15 3.941 6.296 -4.620 1.00 0.00 C ATOM 0 H VAL B 15 6.099 8.107 -6.278 1.00 0.00 H new ATOM 0 HA VAL B 15 5.329 8.326 -3.436 1.00 0.00 H new ATOM 0 HB VAL B 15 5.976 5.877 -5.091 1.00 0.00 H new ATOM 0 HG11 VAL B 15 5.350 4.607 -3.061 1.00 0.00 H new ATOM 0 HG12 VAL B 15 6.773 5.640 -2.789 1.00 0.00 H new ATOM 0 HG13 VAL B 15 5.181 6.137 -2.169 1.00 0.00 H new ATOM 0 HG21 VAL B 15 3.628 5.253 -4.664 1.00 0.00 H new ATOM 0 HG22 VAL B 15 3.371 6.814 -3.848 1.00 0.00 H new ATOM 0 HG23 VAL B 15 3.760 6.770 -5.585 1.00 0.00 H new ATOM 964 N ARG B 16 7.772 8.428 -2.800 1.00 0.00 N ATOM 965 CA ARG B 16 9.164 8.514 -2.437 1.00 0.00 C ATOM 966 C ARG B 16 9.506 7.527 -1.340 1.00 0.00 C ATOM 967 O ARG B 16 8.927 7.556 -0.262 1.00 0.00 O ATOM 968 CB ARG B 16 9.512 9.932 -1.981 1.00 0.00 C ATOM 969 CG ARG B 16 9.352 10.976 -3.072 1.00 0.00 C ATOM 970 CD ARG B 16 10.004 12.296 -2.693 1.00 0.00 C ATOM 971 NE ARG B 16 11.441 12.290 -2.969 1.00 0.00 N ATOM 972 CZ ARG B 16 11.973 12.587 -4.154 1.00 0.00 C ATOM 973 NH1 ARG B 16 11.201 13.011 -5.149 1.00 0.00 N ATOM 974 NH2 ARG B 16 13.282 12.468 -4.341 1.00 0.00 N ATOM 0 H ARG B 16 7.130 8.846 -2.127 1.00 0.00 H new ATOM 0 HA ARG B 16 9.752 8.266 -3.321 1.00 0.00 H new ATOM 0 HB2 ARG B 16 8.876 10.200 -1.137 1.00 0.00 H new ATOM 0 HB3 ARG B 16 10.541 9.947 -1.623 1.00 0.00 H new ATOM 0 HG2 ARG B 16 9.794 10.605 -3.997 1.00 0.00 H new ATOM 0 HG3 ARG B 16 8.292 11.138 -3.267 1.00 0.00 H new ATOM 0 HD2 ARG B 16 9.531 13.107 -3.246 1.00 0.00 H new ATOM 0 HD3 ARG B 16 9.838 12.493 -1.634 1.00 0.00 H new ATOM 0 HE ARG B 16 12.074 12.043 -2.208 1.00 0.00 H new ATOM 0 HH11 ARG B 16 10.196 13.111 -5.008 1.00 0.00 H new ATOM 0 HH12 ARG B 16 11.614 13.237 -6.054 1.00 0.00 H new ATOM 0 HH21 ARG B 16 13.879 12.149 -3.578 1.00 0.00 H new ATOM 0 HH22 ARG B 16 13.690 12.695 -5.248 1.00 0.00 H new ATOM 988 N GLN B 17 10.438 6.644 -1.616 1.00 0.00 N ATOM 989 CA GLN B 17 10.869 5.695 -0.615 1.00 0.00 C ATOM 990 C GLN B 17 12.226 6.163 -0.117 1.00 0.00 C ATOM 991 O GLN B 17 13.154 6.330 -0.904 1.00 0.00 O ATOM 992 CB GLN B 17 10.895 4.253 -1.173 1.00 0.00 C ATOM 993 CG GLN B 17 12.201 3.826 -1.837 1.00 0.00 C ATOM 994 CD GLN B 17 13.208 3.264 -0.846 1.00 0.00 C ATOM 995 OE1 GLN B 17 12.722 2.543 0.151 1.00 0.00 O flip ATOM 996 NE2 GLN B 17 14.410 3.477 -0.977 1.00 0.00 N flip ATOM 0 H GLN B 17 10.909 6.563 -2.517 1.00 0.00 H new ATOM 0 HA GLN B 17 10.167 5.658 0.218 1.00 0.00 H new ATOM 0 HB2 GLN B 17 10.681 3.563 -0.357 1.00 0.00 H new ATOM 0 HB3 GLN B 17 10.088 4.149 -1.899 1.00 0.00 H new ATOM 0 HG2 GLN B 17 11.988 3.075 -2.598 1.00 0.00 H new ATOM 0 HG3 GLN B 17 12.640 4.682 -2.349 1.00 0.00 H new ATOM 0 HE21 GLN B 17 14.746 4.038 -1.760 1.00 0.00 H new ATOM 0 HE22 GLN B 17 15.072 3.093 -0.303 1.00 0.00 H new ATOM 1005 N LYS B 18 12.306 6.474 1.169 1.00 0.00 N ATOM 1006 CA LYS B 18 13.547 6.960 1.763 1.00 0.00 C ATOM 1007 C LYS B 18 14.011 8.226 1.046 1.00 0.00 C ATOM 1008 O LYS B 18 15.199 8.407 0.779 1.00 0.00 O ATOM 1009 CB LYS B 18 14.629 5.880 1.712 1.00 0.00 C ATOM 1010 CG LYS B 18 14.430 4.782 2.740 1.00 0.00 C ATOM 1011 CD LYS B 18 14.785 5.260 4.137 1.00 0.00 C ATOM 1012 CE LYS B 18 13.570 5.762 4.897 1.00 0.00 C ATOM 1013 NZ LYS B 18 13.956 6.320 6.213 1.00 0.00 N ATOM 0 H LYS B 18 11.527 6.399 1.823 1.00 0.00 H new ATOM 0 HA LYS B 18 13.362 7.202 2.810 1.00 0.00 H new ATOM 0 HB2 LYS B 18 14.644 5.437 0.716 1.00 0.00 H new ATOM 0 HB3 LYS B 18 15.603 6.343 1.870 1.00 0.00 H new ATOM 0 HG2 LYS B 18 13.393 4.447 2.721 1.00 0.00 H new ATOM 0 HG3 LYS B 18 15.047 3.922 2.480 1.00 0.00 H new ATOM 0 HD2 LYS B 18 15.247 4.444 4.692 1.00 0.00 H new ATOM 0 HD3 LYS B 18 15.524 6.058 4.069 1.00 0.00 H new ATOM 0 HE2 LYS B 18 13.061 6.526 4.310 1.00 0.00 H new ATOM 0 HE3 LYS B 18 12.863 4.945 5.039 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 13.107 6.655 6.711 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 14.421 5.582 6.780 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 14.612 7.115 6.074 1.00 0.00 H new ATOM 1027 N LYS B 19 13.038 9.079 0.722 1.00 0.00 N ATOM 1028 CA LYS B 19 13.279 10.351 0.037 1.00 0.00 C ATOM 1029 C LYS B 19 13.648 10.151 -1.436 1.00 0.00 C ATOM 1030 O LYS B 19 14.074 11.095 -2.102 1.00 0.00 O ATOM 1031 CB LYS B 19 14.373 11.168 0.746 1.00 0.00 C ATOM 1032 CG LYS B 19 13.886 11.941 1.965 1.00 0.00 C ATOM 1033 CD LYS B 19 13.525 11.019 3.120 1.00 0.00 C ATOM 1034 CE LYS B 19 13.162 11.804 4.364 1.00 0.00 C ATOM 1035 NZ LYS B 19 14.361 12.296 5.092 1.00 0.00 N ATOM 0 H LYS B 19 12.054 8.906 0.929 1.00 0.00 H new ATOM 0 HA LYS B 19 12.343 10.908 0.076 1.00 0.00 H new ATOM 0 HB2 LYS B 19 15.172 10.494 1.053 1.00 0.00 H new ATOM 0 HB3 LYS B 19 14.805 11.871 0.033 1.00 0.00 H new ATOM 0 HG2 LYS B 19 14.661 12.637 2.286 1.00 0.00 H new ATOM 0 HG3 LYS B 19 13.015 12.537 1.692 1.00 0.00 H new ATOM 0 HD2 LYS B 19 12.687 10.384 2.832 1.00 0.00 H new ATOM 0 HD3 LYS B 19 14.365 10.359 3.337 1.00 0.00 H new ATOM 0 HE2 LYS B 19 12.536 12.652 4.086 1.00 0.00 H new ATOM 0 HE3 LYS B 19 12.570 11.174 5.028 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 14.062 12.827 5.935 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 14.947 11.487 5.382 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 14.914 12.919 4.469 1.00 0.00 H new ATOM 1049 N GLN B 20 13.454 8.942 -1.951 1.00 0.00 N ATOM 1050 CA GLN B 20 13.771 8.643 -3.347 1.00 0.00 C ATOM 1051 C GLN B 20 12.501 8.653 -4.196 1.00 0.00 C ATOM 1052 O GLN B 20 11.554 7.925 -3.913 1.00 0.00 O ATOM 1053 CB GLN B 20 14.478 7.288 -3.462 1.00 0.00 C ATOM 1054 CG GLN B 20 14.835 6.910 -4.890 1.00 0.00 C ATOM 1055 CD GLN B 20 15.434 5.518 -5.016 1.00 0.00 C ATOM 1056 OE1 GLN B 20 15.054 4.617 -4.120 1.00 0.00 O flip ATOM 1057 NE2 GLN B 20 16.234 5.260 -5.915 1.00 0.00 N flip ATOM 0 H GLN B 20 13.079 8.152 -1.425 1.00 0.00 H new ATOM 0 HA GLN B 20 14.444 9.415 -3.719 1.00 0.00 H new ATOM 0 HB2 GLN B 20 15.388 7.310 -2.862 1.00 0.00 H new ATOM 0 HB3 GLN B 20 13.836 6.515 -3.040 1.00 0.00 H new ATOM 0 HG2 GLN B 20 13.939 6.969 -5.508 1.00 0.00 H new ATOM 0 HG3 GLN B 20 15.543 7.639 -5.284 1.00 0.00 H new ATOM 0 HE21 GLN B 20 16.500 5.983 -6.584 1.00 0.00 H new ATOM 0 HE22 GLN B 20 16.631 4.324 -5.991 1.00 0.00 H new ATOM 1066 N ASP B 21 12.499 9.489 -5.229 1.00 0.00 N ATOM 1067 CA ASP B 21 11.356 9.637 -6.140 1.00 0.00 C ATOM 1068 C ASP B 21 11.039 8.347 -6.880 1.00 0.00 C ATOM 1069 O ASP B 21 11.947 7.651 -7.329 1.00 0.00 O ATOM 1070 CB ASP B 21 11.646 10.734 -7.172 1.00 0.00 C ATOM 1071 CG ASP B 21 13.123 10.858 -7.502 1.00 0.00 C ATOM 1072 OD1 ASP B 21 13.611 10.125 -8.392 1.00 0.00 O ATOM 1073 OD2 ASP B 21 13.805 11.684 -6.856 1.00 0.00 O ATOM 0 H ASP B 21 13.291 10.088 -5.464 1.00 0.00 H new ATOM 0 HA ASP B 21 10.494 9.903 -5.527 1.00 0.00 H new ATOM 0 HB2 ASP B 21 11.091 10.522 -8.086 1.00 0.00 H new ATOM 0 HB3 ASP B 21 11.282 11.689 -6.792 1.00 0.00 H new ATOM 1078 N GLY B 22 9.751 8.031 -7.007 1.00 0.00 N ATOM 1079 CA GLY B 22 9.351 6.838 -7.721 1.00 0.00 C ATOM 1080 C GLY B 22 7.848 6.700 -7.870 1.00 0.00 C ATOM 1081 O GLY B 22 7.087 7.538 -7.403 1.00 0.00 O ATOM 0 H GLY B 22 8.981 8.582 -6.627 1.00 0.00 H new ATOM 0 HA2 GLY B 22 9.807 6.846 -8.711 1.00 0.00 H new ATOM 0 HA3 GLY B 22 9.739 5.964 -7.198 1.00 0.00 H new ATOM 1085 N ALA B 23 7.431 5.644 -8.542 1.00 0.00 N ATOM 1086 CA ALA B 23 6.023 5.349 -8.748 1.00 0.00 C ATOM 1087 C ALA B 23 5.741 3.969 -8.180 1.00 0.00 C ATOM 1088 O ALA B 23 6.585 3.073 -8.272 1.00 0.00 O ATOM 1089 CB ALA B 23 5.667 5.416 -10.226 1.00 0.00 C ATOM 0 H ALA B 23 8.062 4.962 -8.963 1.00 0.00 H new ATOM 0 HA ALA B 23 5.408 6.090 -8.238 1.00 0.00 H new ATOM 0 HB1 ALA B 23 4.608 5.192 -10.356 1.00 0.00 H new ATOM 0 HB2 ALA B 23 5.875 6.416 -10.605 1.00 0.00 H new ATOM 0 HB3 ALA B 23 6.262 4.688 -10.777 1.00 0.00 H new ATOM 1095 N LEU B 24 4.569 3.785 -7.605 1.00 0.00 N ATOM 1096 CA LEU B 24 4.226 2.515 -6.989 1.00 0.00 C ATOM 1097 C LEU B 24 3.297 1.728 -7.918 1.00 0.00 C ATOM 1098 O LEU B 24 2.228 2.208 -8.291 1.00 0.00 O ATOM 1099 CB LEU B 24 3.561 2.778 -5.634 1.00 0.00 C ATOM 1100 CG LEU B 24 3.805 1.729 -4.542 1.00 0.00 C ATOM 1101 CD1 LEU B 24 2.743 1.825 -3.460 1.00 0.00 C ATOM 1102 CD2 LEU B 24 3.860 0.325 -5.112 1.00 0.00 C ATOM 0 H LEU B 24 3.839 4.495 -7.551 1.00 0.00 H new ATOM 0 HA LEU B 24 5.125 1.921 -6.826 1.00 0.00 H new ATOM 0 HB2 LEU B 24 3.907 3.743 -5.265 1.00 0.00 H new ATOM 0 HB3 LEU B 24 2.486 2.864 -5.792 1.00 0.00 H new ATOM 0 HG LEU B 24 4.778 1.941 -4.098 1.00 0.00 H new ATOM 0 HD11 LEU B 24 2.934 1.073 -2.695 1.00 0.00 H new ATOM 0 HD12 LEU B 24 2.772 2.817 -3.009 1.00 0.00 H new ATOM 0 HD13 LEU B 24 1.760 1.655 -3.899 1.00 0.00 H new ATOM 0 HD21 LEU B 24 4.034 -0.388 -4.306 1.00 0.00 H new ATOM 0 HD22 LEU B 24 2.914 0.094 -5.603 1.00 0.00 H new ATOM 0 HD23 LEU B 24 4.671 0.258 -5.837 1.00 0.00 H new ATOM 1114 N TYR B 25 3.710 0.522 -8.286 1.00 0.00 N ATOM 1115 CA TYR B 25 2.926 -0.315 -9.183 1.00 0.00 C ATOM 1116 C TYR B 25 2.453 -1.591 -8.490 1.00 0.00 C ATOM 1117 O TYR B 25 3.238 -2.513 -8.253 1.00 0.00 O ATOM 1118 CB TYR B 25 3.748 -0.684 -10.421 1.00 0.00 C ATOM 1119 CG TYR B 25 4.320 0.503 -11.161 1.00 0.00 C ATOM 1120 CD1 TYR B 25 3.520 1.285 -11.983 1.00 0.00 C ATOM 1121 CD2 TYR B 25 5.663 0.839 -11.041 1.00 0.00 C ATOM 1122 CE1 TYR B 25 4.042 2.368 -12.665 1.00 0.00 C ATOM 1123 CE2 TYR B 25 6.191 1.920 -11.718 1.00 0.00 C ATOM 1124 CZ TYR B 25 5.376 2.681 -12.529 1.00 0.00 C ATOM 1125 OH TYR B 25 5.898 3.758 -13.206 1.00 0.00 O ATOM 0 H TYR B 25 4.586 0.101 -7.976 1.00 0.00 H new ATOM 0 HA TYR B 25 2.049 0.259 -9.482 1.00 0.00 H new ATOM 0 HB2 TYR B 25 4.566 -1.338 -10.119 1.00 0.00 H new ATOM 0 HB3 TYR B 25 3.119 -1.255 -11.104 1.00 0.00 H new ATOM 0 HD1 TYR B 25 2.473 1.043 -12.091 1.00 0.00 H new ATOM 0 HD2 TYR B 25 6.304 0.244 -10.407 1.00 0.00 H new ATOM 0 HE1 TYR B 25 3.407 2.966 -13.302 1.00 0.00 H new ATOM 0 HE2 TYR B 25 7.237 2.168 -11.613 1.00 0.00 H new ATOM 0 HH TYR B 25 6.852 3.842 -13.000 1.00 0.00 H new ATOM 1135 N LEU B 26 1.173 -1.632 -8.161 1.00 0.00 N ATOM 1136 CA LEU B 26 0.580 -2.800 -7.531 1.00 0.00 C ATOM 1137 C LEU B 26 0.215 -3.818 -8.593 1.00 0.00 C ATOM 1138 O LEU B 26 -0.741 -3.620 -9.334 1.00 0.00 O ATOM 1139 CB LEU B 26 -0.678 -2.413 -6.750 1.00 0.00 C ATOM 1140 CG LEU B 26 -0.431 -1.855 -5.357 1.00 0.00 C ATOM 1141 CD1 LEU B 26 -1.736 -1.429 -4.710 1.00 0.00 C ATOM 1142 CD2 LEU B 26 0.256 -2.891 -4.500 1.00 0.00 C ATOM 0 H LEU B 26 0.521 -0.864 -8.321 1.00 0.00 H new ATOM 0 HA LEU B 26 1.306 -3.227 -6.839 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -1.231 -1.672 -7.328 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -1.317 -3.292 -6.664 1.00 0.00 H new ATOM 0 HG LEU B 26 0.212 -0.979 -5.445 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -1.536 -1.033 -3.714 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -2.209 -0.659 -5.319 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.401 -2.289 -4.632 1.00 0.00 H new ATOM 0 HD21 LEU B 26 0.429 -2.483 -3.504 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -0.374 -3.777 -4.425 1.00 0.00 H new ATOM 0 HD23 LEU B 26 1.210 -3.162 -4.952 1.00 0.00 H new ATOM 1154 N MET B 27 0.973 -4.895 -8.676 1.00 0.00 N ATOM 1155 CA MET B 27 0.705 -5.924 -9.669 1.00 0.00 C ATOM 1156 C MET B 27 -0.220 -6.984 -9.089 1.00 0.00 C ATOM 1157 O MET B 27 -0.812 -6.788 -8.026 1.00 0.00 O ATOM 1158 CB MET B 27 2.010 -6.544 -10.175 1.00 0.00 C ATOM 1159 CG MET B 27 2.944 -5.531 -10.811 1.00 0.00 C ATOM 1160 SD MET B 27 4.632 -6.138 -10.982 1.00 0.00 S ATOM 1161 CE MET B 27 5.456 -4.648 -11.533 1.00 0.00 C ATOM 0 H MET B 27 1.774 -5.082 -8.073 1.00 0.00 H new ATOM 0 HA MET B 27 0.206 -5.465 -10.522 1.00 0.00 H new ATOM 0 HB2 MET B 27 2.521 -7.028 -9.343 1.00 0.00 H new ATOM 0 HB3 MET B 27 1.777 -7.322 -10.903 1.00 0.00 H new ATOM 0 HG2 MET B 27 2.560 -5.259 -11.794 1.00 0.00 H new ATOM 0 HG3 MET B 27 2.950 -4.623 -10.209 1.00 0.00 H new ATOM 0 HE1 MET B 27 6.513 -4.698 -11.270 1.00 0.00 H new ATOM 0 HE2 MET B 27 5.356 -4.555 -12.614 1.00 0.00 H new ATOM 0 HE3 MET B 27 5.002 -3.782 -11.051 1.00 0.00 H new ATOM 1171 N ALA B 28 -0.338 -8.106 -9.778 1.00 0.00 N ATOM 1172 CA ALA B 28 -1.223 -9.172 -9.344 1.00 0.00 C ATOM 1173 C ALA B 28 -0.608 -10.036 -8.247 1.00 0.00 C ATOM 1174 O ALA B 28 -1.259 -10.326 -7.249 1.00 0.00 O ATOM 1175 CB ALA B 28 -1.619 -10.035 -10.531 1.00 0.00 C ATOM 0 H ALA B 28 0.169 -8.302 -10.641 1.00 0.00 H new ATOM 0 HA ALA B 28 -2.109 -8.701 -8.919 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -2.283 -10.832 -10.196 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -2.133 -9.422 -11.271 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -0.726 -10.471 -10.978 1.00 0.00 H new ATOM 1181 N GLU B 29 0.644 -10.442 -8.426 1.00 0.00 N ATOM 1182 CA GLU B 29 1.301 -11.315 -7.456 1.00 0.00 C ATOM 1183 C GLU B 29 2.223 -10.548 -6.517 1.00 0.00 C ATOM 1184 O GLU B 29 2.493 -10.998 -5.400 1.00 0.00 O ATOM 1185 CB GLU B 29 2.136 -12.376 -8.176 1.00 0.00 C ATOM 1186 CG GLU B 29 1.618 -12.746 -9.553 1.00 0.00 C ATOM 1187 CD GLU B 29 2.277 -11.912 -10.633 1.00 0.00 C ATOM 1188 OE1 GLU B 29 2.468 -10.691 -10.410 1.00 0.00 O ATOM 1189 OE2 GLU B 29 2.636 -12.469 -11.684 1.00 0.00 O ATOM 0 H GLU B 29 1.222 -10.184 -9.226 1.00 0.00 H new ATOM 0 HA GLU B 29 0.507 -11.777 -6.869 1.00 0.00 H new ATOM 0 HB2 GLU B 29 3.160 -12.014 -8.270 1.00 0.00 H new ATOM 0 HB3 GLU B 29 2.171 -13.274 -7.560 1.00 0.00 H new ATOM 0 HG2 GLU B 29 1.805 -13.803 -9.742 1.00 0.00 H new ATOM 0 HG3 GLU B 29 0.538 -12.602 -9.588 1.00 0.00 H new ATOM 1196 N ARG B 30 2.716 -9.397 -6.950 1.00 0.00 N ATOM 1197 CA ARG B 30 3.641 -8.642 -6.119 1.00 0.00 C ATOM 1198 C ARG B 30 3.481 -7.141 -6.272 1.00 0.00 C ATOM 1199 O ARG B 30 2.884 -6.653 -7.230 1.00 0.00 O ATOM 1200 CB ARG B 30 5.086 -9.027 -6.456 1.00 0.00 C ATOM 1201 CG ARG B 30 5.609 -8.443 -7.762 1.00 0.00 C ATOM 1202 CD ARG B 30 5.244 -9.313 -8.955 1.00 0.00 C ATOM 1203 NE ARG B 30 6.112 -9.055 -10.102 1.00 0.00 N ATOM 1204 CZ ARG B 30 5.908 -9.554 -11.322 1.00 0.00 C ATOM 1205 NH1 ARG B 30 4.844 -10.300 -11.575 1.00 0.00 N ATOM 1206 NH2 ARG B 30 6.761 -9.283 -12.299 1.00 0.00 N ATOM 0 H ARG B 30 2.497 -8.973 -7.851 1.00 0.00 H new ATOM 0 HA ARG B 30 3.408 -8.896 -5.085 1.00 0.00 H new ATOM 0 HB2 ARG B 30 5.734 -8.702 -5.642 1.00 0.00 H new ATOM 0 HB3 ARG B 30 5.157 -10.114 -6.505 1.00 0.00 H new ATOM 0 HG2 ARG B 30 5.200 -7.443 -7.903 1.00 0.00 H new ATOM 0 HG3 ARG B 30 6.693 -8.339 -7.706 1.00 0.00 H new ATOM 0 HD2 ARG B 30 5.316 -10.364 -8.674 1.00 0.00 H new ATOM 0 HD3 ARG B 30 4.207 -9.128 -9.235 1.00 0.00 H new ATOM 0 HE ARG B 30 6.925 -8.456 -9.961 1.00 0.00 H new ATOM 0 HH11 ARG B 30 4.172 -10.498 -10.834 1.00 0.00 H new ATOM 0 HH12 ARG B 30 4.697 -10.677 -12.511 1.00 0.00 H new ATOM 0 HH21 ARG B 30 7.573 -8.693 -12.118 1.00 0.00 H new ATOM 0 HH22 ARG B 30 6.606 -9.664 -13.232 1.00 0.00 H new ATOM 1220 N ILE B 31 4.031 -6.424 -5.308 1.00 0.00 N ATOM 1221 CA ILE B 31 4.012 -4.978 -5.308 1.00 0.00 C ATOM 1222 C ILE B 31 5.407 -4.482 -5.665 1.00 0.00 C ATOM 1223 O ILE B 31 6.392 -4.845 -5.016 1.00 0.00 O ATOM 1224 CB ILE B 31 3.572 -4.406 -3.935 1.00 0.00 C ATOM 1225 CG1 ILE B 31 3.819 -2.897 -3.867 1.00 0.00 C ATOM 1226 CG2 ILE B 31 4.292 -5.115 -2.797 1.00 0.00 C ATOM 1227 CD1 ILE B 31 3.360 -2.262 -2.569 1.00 0.00 C ATOM 0 H ILE B 31 4.504 -6.833 -4.502 1.00 0.00 H new ATOM 0 HA ILE B 31 3.284 -4.633 -6.042 1.00 0.00 H new ATOM 0 HB ILE B 31 2.502 -4.582 -3.827 1.00 0.00 H new ATOM 0 HG12 ILE B 31 4.884 -2.706 -3.998 1.00 0.00 H new ATOM 0 HG13 ILE B 31 3.304 -2.416 -4.699 1.00 0.00 H new ATOM 0 HG21 ILE B 31 3.967 -4.697 -1.844 1.00 0.00 H new ATOM 0 HG22 ILE B 31 4.057 -6.179 -2.825 1.00 0.00 H new ATOM 0 HG23 ILE B 31 5.368 -4.978 -2.906 1.00 0.00 H new ATOM 0 HD11 ILE B 31 3.568 -1.192 -2.594 1.00 0.00 H new ATOM 0 HD12 ILE B 31 2.289 -2.421 -2.445 1.00 0.00 H new ATOM 0 HD13 ILE B 31 3.893 -2.716 -1.734 1.00 0.00 H new ATOM 1239 N ALA B 32 5.506 -3.694 -6.717 1.00 0.00 N ATOM 1240 CA ALA B 32 6.793 -3.187 -7.143 1.00 0.00 C ATOM 1241 C ALA B 32 6.788 -1.674 -7.223 1.00 0.00 C ATOM 1242 O ALA B 32 5.756 -1.051 -7.463 1.00 0.00 O ATOM 1243 CB ALA B 32 7.189 -3.795 -8.477 1.00 0.00 C ATOM 0 H ALA B 32 4.716 -3.393 -7.288 1.00 0.00 H new ATOM 0 HA ALA B 32 7.533 -3.477 -6.397 1.00 0.00 H new ATOM 0 HB1 ALA B 32 8.159 -3.403 -8.782 1.00 0.00 H new ATOM 0 HB2 ALA B 32 7.250 -4.879 -8.379 1.00 0.00 H new ATOM 0 HB3 ALA B 32 6.442 -3.541 -9.229 1.00 0.00 H new ATOM 1249 N TRP B 33 7.949 -1.091 -7.020 1.00 0.00 N ATOM 1250 CA TRP B 33 8.107 0.346 -7.056 1.00 0.00 C ATOM 1251 C TRP B 33 9.351 0.686 -7.865 1.00 0.00 C ATOM 1252 O TRP B 33 10.382 0.017 -7.747 1.00 0.00 O ATOM 1253 CB TRP B 33 8.196 0.879 -5.619 1.00 0.00 C ATOM 1254 CG TRP B 33 8.523 2.336 -5.496 1.00 0.00 C ATOM 1255 CD1 TRP B 33 7.645 3.369 -5.335 1.00 0.00 C ATOM 1256 CD2 TRP B 33 9.828 2.918 -5.495 1.00 0.00 C ATOM 1257 NE1 TRP B 33 8.328 4.556 -5.239 1.00 0.00 N ATOM 1258 CE2 TRP B 33 9.670 4.304 -5.336 1.00 0.00 C ATOM 1259 CE3 TRP B 33 11.115 2.397 -5.618 1.00 0.00 C ATOM 1260 CZ2 TRP B 33 10.753 5.174 -5.294 1.00 0.00 C ATOM 1261 CZ3 TRP B 33 12.188 3.261 -5.579 1.00 0.00 C ATOM 1262 CH2 TRP B 33 12.001 4.637 -5.417 1.00 0.00 C ATOM 0 H TRP B 33 8.811 -1.601 -6.825 1.00 0.00 H new ATOM 0 HA TRP B 33 7.251 0.819 -7.536 1.00 0.00 H new ATOM 0 HB2 TRP B 33 7.244 0.694 -5.121 1.00 0.00 H new ATOM 0 HB3 TRP B 33 8.953 0.307 -5.083 1.00 0.00 H new ATOM 0 HD1 TRP B 33 6.571 3.267 -5.290 1.00 0.00 H new ATOM 0 HE1 TRP B 33 7.905 5.476 -5.116 1.00 0.00 H new ATOM 0 HE3 TRP B 33 11.269 1.335 -5.742 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 10.612 6.237 -5.168 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 13.190 2.869 -5.675 1.00 0.00 H new ATOM 0 HH2 TRP B 33 12.862 5.288 -5.389 1.00 0.00 H new ATOM 1273 N ALA B 34 9.245 1.698 -8.704 1.00 0.00 N ATOM 1274 CA ALA B 34 10.359 2.116 -9.537 1.00 0.00 C ATOM 1275 C ALA B 34 10.547 3.616 -9.450 1.00 0.00 C ATOM 1276 O ALA B 34 9.578 4.369 -9.523 1.00 0.00 O ATOM 1277 CB ALA B 34 10.138 1.697 -10.979 1.00 0.00 C ATOM 0 H ALA B 34 8.396 2.249 -8.828 1.00 0.00 H new ATOM 0 HA ALA B 34 11.262 1.627 -9.172 1.00 0.00 H new ATOM 0 HB1 ALA B 34 10.984 2.020 -11.586 1.00 0.00 H new ATOM 0 HB2 ALA B 34 10.046 0.612 -11.033 1.00 0.00 H new ATOM 0 HB3 ALA B 34 9.225 2.158 -11.356 1.00 0.00 H new ATOM 1283 N PRO B 35 11.795 4.066 -9.288 1.00 0.00 N ATOM 1284 CA PRO B 35 12.120 5.489 -9.179 1.00 0.00 C ATOM 1285 C PRO B 35 11.647 6.307 -10.385 1.00 0.00 C ATOM 1286 O PRO B 35 11.756 5.869 -11.530 1.00 0.00 O ATOM 1287 CB PRO B 35 13.646 5.501 -9.078 1.00 0.00 C ATOM 1288 CG PRO B 35 14.018 4.140 -8.605 1.00 0.00 C ATOM 1289 CD PRO B 35 12.994 3.215 -9.190 1.00 0.00 C ATOM 0 HA PRO B 35 11.620 5.950 -8.327 1.00 0.00 H new ATOM 0 HB2 PRO B 35 14.103 5.721 -10.043 1.00 0.00 H new ATOM 0 HB3 PRO B 35 13.988 6.267 -8.382 1.00 0.00 H new ATOM 0 HG2 PRO B 35 15.022 3.872 -8.934 1.00 0.00 H new ATOM 0 HG3 PRO B 35 14.015 4.089 -7.516 1.00 0.00 H new ATOM 0 HD2 PRO B 35 13.302 2.837 -10.165 1.00 0.00 H new ATOM 0 HD3 PRO B 35 12.822 2.348 -8.552 1.00 0.00 H new ATOM 1411 N ILE B 43 12.374 -1.760 -6.107 1.00 0.00 N ATOM 1412 CA ILE B 43 11.564 -2.441 -5.112 1.00 0.00 C ATOM 1413 C ILE B 43 10.627 -3.458 -5.763 1.00 0.00 C ATOM 1414 O ILE B 43 9.866 -3.125 -6.670 1.00 0.00 O ATOM 1415 CB ILE B 43 10.754 -1.418 -4.279 1.00 0.00 C ATOM 1416 CG1 ILE B 43 11.630 -0.846 -3.164 1.00 0.00 C ATOM 1417 CG2 ILE B 43 9.493 -2.042 -3.698 1.00 0.00 C ATOM 1418 CD1 ILE B 43 11.059 0.388 -2.507 1.00 0.00 C ATOM 0 HA ILE B 43 12.237 -2.981 -4.446 1.00 0.00 H new ATOM 0 HB ILE B 43 10.444 -0.611 -4.943 1.00 0.00 H new ATOM 0 HG12 ILE B 43 11.780 -1.613 -2.404 1.00 0.00 H new ATOM 0 HG13 ILE B 43 12.611 -0.606 -3.574 1.00 0.00 H new ATOM 0 HG21 ILE B 43 8.950 -1.294 -3.120 1.00 0.00 H new ATOM 0 HG22 ILE B 43 8.860 -2.404 -4.508 1.00 0.00 H new ATOM 0 HG23 ILE B 43 9.765 -2.875 -3.050 1.00 0.00 H new ATOM 0 HD11 ILE B 43 11.738 0.733 -1.727 1.00 0.00 H new ATOM 0 HD12 ILE B 43 10.935 1.173 -3.253 1.00 0.00 H new ATOM 0 HD13 ILE B 43 10.091 0.150 -2.066 1.00 0.00 H new ATOM 1430 N SER B 44 10.725 -4.702 -5.315 1.00 0.00 N ATOM 1431 CA SER B 44 9.885 -5.780 -5.816 1.00 0.00 C ATOM 1432 C SER B 44 9.626 -6.781 -4.695 1.00 0.00 C ATOM 1433 O SER B 44 10.492 -7.592 -4.364 1.00 0.00 O ATOM 1434 CB SER B 44 10.561 -6.474 -7.004 1.00 0.00 C ATOM 1435 OG SER B 44 9.727 -7.476 -7.567 1.00 0.00 O ATOM 0 H SER B 44 11.388 -4.992 -4.596 1.00 0.00 H new ATOM 0 HA SER B 44 8.935 -5.367 -6.157 1.00 0.00 H new ATOM 0 HB2 SER B 44 10.808 -5.735 -7.766 1.00 0.00 H new ATOM 0 HB3 SER B 44 11.500 -6.922 -6.679 1.00 0.00 H new ATOM 0 HG SER B 44 10.187 -7.898 -8.323 1.00 0.00 H new ATOM 1441 N HIS B 45 8.445 -6.710 -4.099 1.00 0.00 N ATOM 1442 CA HIS B 45 8.092 -7.608 -3.004 1.00 0.00 C ATOM 1443 C HIS B 45 6.827 -8.376 -3.327 1.00 0.00 C ATOM 1444 O HIS B 45 5.764 -7.789 -3.528 1.00 0.00 O ATOM 1445 CB HIS B 45 7.900 -6.827 -1.694 1.00 0.00 C ATOM 1446 CG HIS B 45 9.067 -5.964 -1.315 1.00 0.00 C ATOM 1447 ND1 HIS B 45 10.060 -6.345 -0.440 1.00 0.00 N ATOM 1448 CD2 HIS B 45 9.389 -4.711 -1.722 1.00 0.00 C ATOM 1449 CE1 HIS B 45 10.935 -5.337 -0.345 1.00 0.00 C ATOM 1450 NE2 HIS B 45 10.576 -4.319 -1.106 1.00 0.00 N ATOM 0 H HIS B 45 7.716 -6.043 -4.352 1.00 0.00 H new ATOM 0 HA HIS B 45 8.913 -8.313 -2.877 1.00 0.00 H new ATOM 0 HB2 HIS B 45 7.013 -6.200 -1.785 1.00 0.00 H new ATOM 0 HB3 HIS B 45 7.709 -7.534 -0.887 1.00 0.00 H new ATOM 0 HD2 HIS B 45 8.816 -4.112 -2.414 1.00 0.00 H new ATOM 0 HE1 HIS B 45 11.820 -5.354 0.274 1.00 0.00 H new ATOM 0 HE2 HIS B 45 11.065 -3.431 -1.219 1.00 0.00 H new ATOM 1458 N MET B 46 6.947 -9.690 -3.400 1.00 0.00 N ATOM 1459 CA MET B 46 5.800 -10.534 -3.676 1.00 0.00 C ATOM 1460 C MET B 46 4.885 -10.547 -2.467 1.00 0.00 C ATOM 1461 O MET B 46 5.352 -10.503 -1.331 1.00 0.00 O ATOM 1462 CB MET B 46 6.235 -11.962 -4.015 1.00 0.00 C ATOM 1463 CG MET B 46 6.727 -12.137 -5.442 1.00 0.00 C ATOM 1464 SD MET B 46 5.390 -12.480 -6.602 1.00 0.00 S ATOM 1465 CE MET B 46 6.315 -12.829 -8.096 1.00 0.00 C ATOM 0 H MET B 46 7.825 -10.194 -3.272 1.00 0.00 H new ATOM 0 HA MET B 46 5.270 -10.129 -4.538 1.00 0.00 H new ATOM 0 HB2 MET B 46 7.027 -12.262 -3.329 1.00 0.00 H new ATOM 0 HB3 MET B 46 5.395 -12.636 -3.846 1.00 0.00 H new ATOM 0 HG2 MET B 46 7.251 -11.234 -5.755 1.00 0.00 H new ATOM 0 HG3 MET B 46 7.450 -12.952 -5.475 1.00 0.00 H new ATOM 0 HE1 MET B 46 5.623 -13.008 -8.919 1.00 0.00 H new ATOM 0 HE2 MET B 46 6.953 -11.978 -8.336 1.00 0.00 H new ATOM 0 HE3 MET B 46 6.933 -13.714 -7.943 1.00 0.00 H new ATOM 1475 N TYR B 47 3.582 -10.592 -2.710 1.00 0.00 N ATOM 1476 CA TYR B 47 2.610 -10.622 -1.617 1.00 0.00 C ATOM 1477 C TYR B 47 2.832 -11.872 -0.773 1.00 0.00 C ATOM 1478 O TYR B 47 2.437 -11.939 0.387 1.00 0.00 O ATOM 1479 CB TYR B 47 1.173 -10.591 -2.153 1.00 0.00 C ATOM 1480 CG TYR B 47 0.854 -9.389 -3.021 1.00 0.00 C ATOM 1481 CD1 TYR B 47 1.444 -8.152 -2.785 1.00 0.00 C ATOM 1482 CD2 TYR B 47 -0.034 -9.496 -4.083 1.00 0.00 C ATOM 1483 CE1 TYR B 47 1.155 -7.062 -3.583 1.00 0.00 C ATOM 1484 CE2 TYR B 47 -0.325 -8.409 -4.885 1.00 0.00 C ATOM 1485 CZ TYR B 47 0.273 -7.196 -4.632 1.00 0.00 C ATOM 1486 OH TYR B 47 -0.010 -6.114 -5.431 1.00 0.00 O ATOM 0 H TYR B 47 3.173 -10.609 -3.644 1.00 0.00 H new ATOM 0 HA TYR B 47 2.754 -9.736 -0.999 1.00 0.00 H new ATOM 0 HB2 TYR B 47 0.994 -11.498 -2.730 1.00 0.00 H new ATOM 0 HB3 TYR B 47 0.483 -10.608 -1.309 1.00 0.00 H new ATOM 0 HD1 TYR B 47 2.139 -8.042 -1.965 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -0.506 -10.446 -4.286 1.00 0.00 H new ATOM 0 HE1 TYR B 47 1.620 -6.107 -3.385 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -1.019 -8.511 -5.707 1.00 0.00 H new ATOM 0 HH TYR B 47 -0.297 -6.426 -6.315 1.00 0.00 H new ATOM 1496 N ALA B 48 3.485 -12.855 -1.383 1.00 0.00 N ATOM 1497 CA ALA B 48 3.807 -14.112 -0.735 1.00 0.00 C ATOM 1498 C ALA B 48 4.737 -13.926 0.463 1.00 0.00 C ATOM 1499 O ALA B 48 4.724 -14.745 1.377 1.00 0.00 O ATOM 1500 CB ALA B 48 4.446 -15.054 -1.745 1.00 0.00 C ATOM 0 H ALA B 48 3.807 -12.797 -2.349 1.00 0.00 H new ATOM 0 HA ALA B 48 2.877 -14.538 -0.359 1.00 0.00 H new ATOM 0 HB1 ALA B 48 4.688 -15.999 -1.259 1.00 0.00 H new ATOM 0 HB2 ALA B 48 3.750 -15.235 -2.564 1.00 0.00 H new ATOM 0 HB3 ALA B 48 5.358 -14.603 -2.137 1.00 0.00 H new ATOM 1506 N ASP B 49 5.530 -12.854 0.449 1.00 0.00 N ATOM 1507 CA ASP B 49 6.481 -12.563 1.517 1.00 0.00 C ATOM 1508 C ASP B 49 5.972 -11.463 2.442 1.00 0.00 C ATOM 1509 O ASP B 49 6.556 -11.210 3.502 1.00 0.00 O ATOM 1510 CB ASP B 49 7.810 -12.082 0.955 1.00 0.00 C ATOM 1511 CG ASP B 49 8.288 -12.822 -0.284 1.00 0.00 C ATOM 1512 OD1 ASP B 49 7.620 -12.728 -1.338 1.00 0.00 O ATOM 1513 OD2 ASP B 49 9.360 -13.460 -0.217 1.00 0.00 O ATOM 0 H ASP B 49 5.530 -12.165 -0.303 1.00 0.00 H new ATOM 0 HA ASP B 49 6.605 -13.496 2.067 1.00 0.00 H new ATOM 0 HB2 ASP B 49 7.724 -11.022 0.716 1.00 0.00 H new ATOM 0 HB3 ASP B 49 8.570 -12.174 1.731 1.00 0.00 H new ATOM 1518 N ILE B 50 4.898 -10.801 2.058 1.00 0.00 N ATOM 1519 CA ILE B 50 4.362 -9.735 2.884 1.00 0.00 C ATOM 1520 C ILE B 50 3.313 -10.292 3.828 1.00 0.00 C ATOM 1521 O ILE B 50 2.448 -11.067 3.425 1.00 0.00 O ATOM 1522 CB ILE B 50 3.765 -8.591 2.041 1.00 0.00 C ATOM 1523 CG1 ILE B 50 4.592 -8.393 0.768 1.00 0.00 C ATOM 1524 CG2 ILE B 50 3.721 -7.303 2.855 1.00 0.00 C ATOM 1525 CD1 ILE B 50 4.200 -7.177 -0.035 1.00 0.00 C ATOM 0 H ILE B 50 4.386 -10.978 1.194 1.00 0.00 H new ATOM 0 HA ILE B 50 5.188 -9.316 3.459 1.00 0.00 H new ATOM 0 HB ILE B 50 2.746 -8.854 1.758 1.00 0.00 H new ATOM 0 HG12 ILE B 50 5.645 -8.313 1.040 1.00 0.00 H new ATOM 0 HG13 ILE B 50 4.491 -9.278 0.140 1.00 0.00 H new ATOM 0 HG21 ILE B 50 3.297 -6.503 2.248 1.00 0.00 H new ATOM 0 HG22 ILE B 50 3.103 -7.453 3.740 1.00 0.00 H new ATOM 0 HG23 ILE B 50 4.731 -7.031 3.160 1.00 0.00 H new ATOM 0 HD11 ILE B 50 4.832 -7.107 -0.921 1.00 0.00 H new ATOM 0 HD12 ILE B 50 3.157 -7.263 -0.339 1.00 0.00 H new ATOM 0 HD13 ILE B 50 4.328 -6.282 0.574 1.00 0.00 H new ATOM 1537 N LYS B 51 3.406 -9.926 5.094 1.00 0.00 N ATOM 1538 CA LYS B 51 2.462 -10.419 6.075 1.00 0.00 C ATOM 1539 C LYS B 51 1.370 -9.394 6.335 1.00 0.00 C ATOM 1540 O LYS B 51 0.222 -9.747 6.611 1.00 0.00 O ATOM 1541 CB LYS B 51 3.162 -10.749 7.386 1.00 0.00 C ATOM 1542 CG LYS B 51 2.397 -11.761 8.220 1.00 0.00 C ATOM 1543 CD LYS B 51 2.521 -11.479 9.705 1.00 0.00 C ATOM 1544 CE LYS B 51 1.607 -10.340 10.148 1.00 0.00 C ATOM 1545 NZ LYS B 51 0.276 -10.370 9.475 1.00 0.00 N ATOM 0 H LYS B 51 4.118 -9.296 5.462 1.00 0.00 H new ATOM 0 HA LYS B 51 2.014 -11.327 5.671 1.00 0.00 H new ATOM 0 HB2 LYS B 51 4.158 -11.138 7.174 1.00 0.00 H new ATOM 0 HB3 LYS B 51 3.294 -9.834 7.963 1.00 0.00 H new ATOM 0 HG2 LYS B 51 1.345 -11.746 7.934 1.00 0.00 H new ATOM 0 HG3 LYS B 51 2.771 -12.763 8.008 1.00 0.00 H new ATOM 0 HD2 LYS B 51 2.276 -12.380 10.267 1.00 0.00 H new ATOM 0 HD3 LYS B 51 3.555 -11.227 9.941 1.00 0.00 H new ATOM 0 HE2 LYS B 51 1.464 -10.394 11.227 1.00 0.00 H new ATOM 0 HE3 LYS B 51 2.094 -9.387 9.938 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -0.389 -9.761 9.993 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 0.373 -10.025 8.499 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -0.085 -11.345 9.463 1.00 0.00 H new ATOM 1559 N CYS B 52 1.747 -8.127 6.270 1.00 0.00 N ATOM 1560 CA CYS B 52 0.826 -7.030 6.506 1.00 0.00 C ATOM 1561 C CYS B 52 1.485 -5.714 6.122 1.00 0.00 C ATOM 1562 O CYS B 52 2.616 -5.700 5.641 1.00 0.00 O ATOM 1563 CB CYS B 52 0.391 -7.005 7.972 1.00 0.00 C ATOM 1564 SG CYS B 52 1.740 -7.095 9.169 1.00 0.00 S ATOM 0 H CYS B 52 2.699 -7.832 6.052 1.00 0.00 H new ATOM 0 HA CYS B 52 -0.062 -7.173 5.890 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -0.174 -6.091 8.152 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -0.288 -7.839 8.148 1.00 0.00 H new ATOM 0 HG CYS B 52 1.250 -7.172 10.371 1.00 0.00 H new ATOM 1570 N GLN B 53 0.781 -4.616 6.327 1.00 0.00 N ATOM 1571 CA GLN B 53 1.309 -3.303 6.004 1.00 0.00 C ATOM 1572 C GLN B 53 0.637 -2.269 6.864 1.00 0.00 C ATOM 1573 O GLN B 53 -0.540 -2.357 7.119 1.00 0.00 O ATOM 1574 CB GLN B 53 1.107 -2.960 4.527 1.00 0.00 C ATOM 1575 CG GLN B 53 -0.349 -2.934 4.099 1.00 0.00 C ATOM 1576 CD GLN B 53 -0.757 -4.205 3.392 1.00 0.00 C ATOM 1577 OE1 GLN B 53 0.056 -4.851 2.738 1.00 0.00 O ATOM 1578 NE2 GLN B 53 -2.020 -4.570 3.514 1.00 0.00 N ATOM 0 H GLN B 53 -0.161 -4.608 6.717 1.00 0.00 H new ATOM 0 HA GLN B 53 2.381 -3.311 6.199 1.00 0.00 H new ATOM 0 HB2 GLN B 53 1.553 -1.986 4.325 1.00 0.00 H new ATOM 0 HB3 GLN B 53 1.642 -3.688 3.918 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -0.981 -2.788 4.975 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -0.517 -2.083 3.439 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -2.663 -4.004 4.067 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -2.352 -5.418 3.055 1.00 0.00 H new ATOM 1587 N LYS B 54 1.372 -1.298 7.323 1.00 0.00 N ATOM 1588 CA LYS B 54 0.783 -0.274 8.146 1.00 0.00 C ATOM 1589 C LYS B 54 0.806 1.039 7.389 1.00 0.00 C ATOM 1590 O LYS B 54 1.693 1.273 6.579 1.00 0.00 O ATOM 1591 CB LYS B 54 1.506 -0.168 9.479 1.00 0.00 C ATOM 1592 CG LYS B 54 1.956 -1.498 10.063 1.00 0.00 C ATOM 1593 CD LYS B 54 2.600 -1.308 11.429 1.00 0.00 C ATOM 1594 CE LYS B 54 2.902 -2.643 12.093 1.00 0.00 C ATOM 1595 NZ LYS B 54 2.940 -2.528 13.576 1.00 0.00 N ATOM 0 H LYS B 54 2.371 -1.191 7.146 1.00 0.00 H new ATOM 0 HA LYS B 54 -0.252 -0.532 8.369 1.00 0.00 H new ATOM 0 HB2 LYS B 54 2.379 0.473 9.354 1.00 0.00 H new ATOM 0 HB3 LYS B 54 0.849 0.325 10.196 1.00 0.00 H new ATOM 0 HG2 LYS B 54 1.101 -2.168 10.151 1.00 0.00 H new ATOM 0 HG3 LYS B 54 2.666 -1.974 9.386 1.00 0.00 H new ATOM 0 HD2 LYS B 54 3.522 -0.737 11.321 1.00 0.00 H new ATOM 0 HD3 LYS B 54 1.936 -0.725 12.067 1.00 0.00 H new ATOM 0 HE2 LYS B 54 2.144 -3.372 11.805 1.00 0.00 H new ATOM 0 HE3 LYS B 54 3.860 -3.019 11.733 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 2.758 -3.459 14.001 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 3.877 -2.189 13.874 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 2.212 -1.855 13.891 1.00 0.00 H new ATOM 1609 N ILE B 55 -0.164 1.889 7.644 1.00 0.00 N ATOM 1610 CA ILE B 55 -0.266 3.152 6.928 1.00 0.00 C ATOM 1611 C ILE B 55 -0.175 4.347 7.866 1.00 0.00 C ATOM 1612 O ILE B 55 -0.865 4.398 8.870 1.00 0.00 O ATOM 1613 CB ILE B 55 -1.605 3.192 6.173 1.00 0.00 C ATOM 1614 CG1 ILE B 55 -2.770 3.187 7.174 1.00 0.00 C ATOM 1615 CG2 ILE B 55 -1.690 1.996 5.243 1.00 0.00 C ATOM 1616 CD1 ILE B 55 -3.906 2.265 6.819 1.00 0.00 C ATOM 0 H ILE B 55 -0.894 1.734 8.339 1.00 0.00 H new ATOM 0 HA ILE B 55 0.570 3.216 6.231 1.00 0.00 H new ATOM 0 HB ILE B 55 -1.668 4.105 5.581 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -2.386 2.906 8.155 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -3.159 4.202 7.262 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -2.638 2.020 4.705 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -0.867 2.031 4.529 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -1.626 1.077 5.826 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -4.680 2.330 7.584 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -4.323 2.556 5.855 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -3.539 1.240 6.761 1.00 0.00 H new ATOM 1628 N SER B 56 0.683 5.303 7.556 1.00 0.00 N ATOM 1629 CA SER B 56 0.802 6.474 8.398 1.00 0.00 C ATOM 1630 C SER B 56 -0.316 7.433 8.031 1.00 0.00 C ATOM 1631 O SER B 56 -0.341 7.996 6.916 1.00 0.00 O ATOM 1632 CB SER B 56 2.186 7.113 8.286 1.00 0.00 C ATOM 1633 OG SER B 56 2.530 7.376 6.951 1.00 0.00 O ATOM 0 H SER B 56 1.297 5.291 6.741 1.00 0.00 H new ATOM 0 HA SER B 56 0.701 6.193 9.446 1.00 0.00 H new ATOM 0 HB2 SER B 56 2.205 8.042 8.856 1.00 0.00 H new ATOM 0 HB3 SER B 56 2.930 6.451 8.730 1.00 0.00 H new ATOM 0 HG SER B 56 3.268 8.020 6.924 1.00 0.00 H new ATOM 1639 N PRO B 57 -1.266 7.572 8.974 1.00 0.00 N ATOM 1640 CA PRO B 57 -2.482 8.385 8.834 1.00 0.00 C ATOM 1641 C PRO B 57 -2.238 9.874 8.642 1.00 0.00 C ATOM 1642 O PRO B 57 -1.124 10.378 8.824 1.00 0.00 O ATOM 1643 CB PRO B 57 -3.228 8.152 10.154 1.00 0.00 C ATOM 1644 CG PRO B 57 -2.183 7.696 11.112 1.00 0.00 C ATOM 1645 CD PRO B 57 -1.202 6.925 10.299 1.00 0.00 C ATOM 0 HA PRO B 57 -3.025 8.089 7.936 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -3.710 9.066 10.501 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -4.011 7.403 10.038 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -1.705 8.544 11.603 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -2.615 7.075 11.897 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -0.199 6.978 10.723 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -1.469 5.870 10.243 1.00 0.00 H new ATOM 1653 N GLU B 58 -3.305 10.563 8.252 1.00 0.00 N ATOM 1654 CA GLU B 58 -3.275 11.998 8.046 1.00 0.00 C ATOM 1655 C GLU B 58 -2.968 12.692 9.367 1.00 0.00 C ATOM 1656 O GLU B 58 -3.304 12.188 10.439 1.00 0.00 O ATOM 1657 CB GLU B 58 -4.604 12.500 7.459 1.00 0.00 C ATOM 1658 CG GLU B 58 -5.796 11.589 7.731 1.00 0.00 C ATOM 1659 CD GLU B 58 -5.979 10.515 6.667 1.00 0.00 C ATOM 1660 OE1 GLU B 58 -5.265 9.489 6.736 1.00 0.00 O ATOM 1661 OE2 GLU B 58 -6.822 10.695 5.757 1.00 0.00 O ATOM 0 H GLU B 58 -4.214 10.137 8.071 1.00 0.00 H new ATOM 0 HA GLU B 58 -2.491 12.236 7.327 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -4.817 13.488 7.866 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -4.490 12.617 6.381 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -5.667 11.112 8.703 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -6.702 12.193 7.790 1.00 0.00 H new ATOM 1668 N GLY B 59 -2.335 13.842 9.284 1.00 0.00 N ATOM 1669 CA GLY B 59 -1.947 14.564 10.475 1.00 0.00 C ATOM 1670 C GLY B 59 -0.444 14.627 10.552 1.00 0.00 C ATOM 1671 O GLY B 59 0.133 15.506 11.189 1.00 0.00 O ATOM 0 H GLY B 59 -2.079 14.296 8.407 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -2.364 15.571 10.456 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -2.348 14.070 11.360 1.00 0.00 H new ATOM 1675 N LYS B 60 0.183 13.664 9.889 1.00 0.00 N ATOM 1676 CA LYS B 60 1.632 13.596 9.810 1.00 0.00 C ATOM 1677 C LYS B 60 2.118 14.600 8.775 1.00 0.00 C ATOM 1678 O LYS B 60 1.319 15.156 8.022 1.00 0.00 O ATOM 1679 CB LYS B 60 2.095 12.194 9.391 1.00 0.00 C ATOM 1680 CG LYS B 60 2.355 11.225 10.535 1.00 0.00 C ATOM 1681 CD LYS B 60 2.887 9.903 9.996 1.00 0.00 C ATOM 1682 CE LYS B 60 3.447 9.006 11.092 1.00 0.00 C ATOM 1683 NZ LYS B 60 4.634 9.600 11.756 1.00 0.00 N ATOM 0 H LYS B 60 -0.298 12.913 9.394 1.00 0.00 H new ATOM 0 HA LYS B 60 2.044 13.822 10.793 1.00 0.00 H new ATOM 0 HB2 LYS B 60 1.340 11.761 8.735 1.00 0.00 H new ATOM 0 HB3 LYS B 60 3.009 12.291 8.805 1.00 0.00 H new ATOM 0 HG2 LYS B 60 3.074 11.658 11.231 1.00 0.00 H new ATOM 0 HG3 LYS B 60 1.434 11.054 11.093 1.00 0.00 H new ATOM 0 HD2 LYS B 60 2.086 9.378 9.476 1.00 0.00 H new ATOM 0 HD3 LYS B 60 3.667 10.102 9.261 1.00 0.00 H new ATOM 0 HE2 LYS B 60 2.673 8.819 11.836 1.00 0.00 H new ATOM 0 HE3 LYS B 60 3.718 8.040 10.665 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 5.040 8.912 12.422 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 5.345 9.848 11.039 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 4.350 10.456 12.273 1.00 0.00 H new ATOM 1697 N ALA B 61 3.423 14.813 8.721 1.00 0.00 N ATOM 1698 CA ALA B 61 3.997 15.733 7.749 1.00 0.00 C ATOM 1699 C ALA B 61 4.046 15.076 6.374 1.00 0.00 C ATOM 1700 O ALA B 61 4.415 15.702 5.382 1.00 0.00 O ATOM 1701 CB ALA B 61 5.387 16.169 8.188 1.00 0.00 C ATOM 0 H ALA B 61 4.103 14.364 9.335 1.00 0.00 H new ATOM 0 HA ALA B 61 3.367 16.620 7.687 1.00 0.00 H new ATOM 0 HB1 ALA B 61 5.802 16.856 7.451 1.00 0.00 H new ATOM 0 HB2 ALA B 61 5.323 16.669 9.155 1.00 0.00 H new ATOM 0 HB3 ALA B 61 6.033 15.295 8.273 1.00 0.00 H new ATOM 1707 N LYS B 62 3.674 13.800 6.338 1.00 0.00 N ATOM 1708 CA LYS B 62 3.661 13.024 5.110 1.00 0.00 C ATOM 1709 C LYS B 62 2.830 11.757 5.293 1.00 0.00 C ATOM 1710 O LYS B 62 2.890 11.114 6.341 1.00 0.00 O ATOM 1711 CB LYS B 62 5.091 12.669 4.680 1.00 0.00 C ATOM 1712 CG LYS B 62 6.034 12.327 5.830 1.00 0.00 C ATOM 1713 CD LYS B 62 7.485 12.547 5.430 1.00 0.00 C ATOM 1714 CE LYS B 62 8.432 12.429 6.614 1.00 0.00 C ATOM 1715 NZ LYS B 62 9.843 12.690 6.215 1.00 0.00 N ATOM 0 H LYS B 62 3.374 13.278 7.161 1.00 0.00 H new ATOM 0 HA LYS B 62 3.207 13.628 4.325 1.00 0.00 H new ATOM 0 HB2 LYS B 62 5.051 11.821 3.996 1.00 0.00 H new ATOM 0 HB3 LYS B 62 5.508 13.508 4.123 1.00 0.00 H new ATOM 0 HG2 LYS B 62 5.795 12.943 6.697 1.00 0.00 H new ATOM 0 HG3 LYS B 62 5.889 11.288 6.127 1.00 0.00 H new ATOM 0 HD2 LYS B 62 7.765 11.818 4.669 1.00 0.00 H new ATOM 0 HD3 LYS B 62 7.590 13.534 4.980 1.00 0.00 H new ATOM 0 HE2 LYS B 62 8.136 13.135 7.389 1.00 0.00 H new ATOM 0 HE3 LYS B 62 8.354 11.431 7.045 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 10.461 12.601 7.047 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 10.133 12.000 5.493 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 9.922 13.651 5.826 1.00 0.00 H new ATOM 1729 N ILE B 63 2.035 11.428 4.284 1.00 0.00 N ATOM 1730 CA ILE B 63 1.198 10.232 4.310 1.00 0.00 C ATOM 1731 C ILE B 63 1.994 9.086 3.716 1.00 0.00 C ATOM 1732 O ILE B 63 2.552 9.225 2.628 1.00 0.00 O ATOM 1733 CB ILE B 63 -0.109 10.437 3.513 1.00 0.00 C ATOM 1734 CG1 ILE B 63 -0.972 11.517 4.170 1.00 0.00 C ATOM 1735 CG2 ILE B 63 -0.879 9.132 3.401 1.00 0.00 C ATOM 1736 CD1 ILE B 63 -0.611 12.929 3.752 1.00 0.00 C ATOM 0 H ILE B 63 1.951 11.977 3.429 1.00 0.00 H new ATOM 0 HA ILE B 63 0.918 10.014 5.340 1.00 0.00 H new ATOM 0 HB ILE B 63 0.150 10.767 2.507 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -2.018 11.332 3.925 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -0.879 11.434 5.253 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -1.796 9.298 2.836 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -0.266 8.391 2.888 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -1.128 8.770 4.398 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -1.266 13.637 4.259 1.00 0.00 H new ATOM 0 HD12 ILE B 63 0.425 13.135 4.022 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -0.732 13.031 2.674 1.00 0.00 H new ATOM 1748 N GLN B 64 2.069 7.954 4.406 1.00 0.00 N ATOM 1749 CA GLN B 64 2.897 6.857 3.902 1.00 0.00 C ATOM 1750 C GLN B 64 2.310 5.465 4.151 1.00 0.00 C ATOM 1751 O GLN B 64 1.308 5.300 4.848 1.00 0.00 O ATOM 1752 CB GLN B 64 4.284 6.925 4.548 1.00 0.00 C ATOM 1753 CG GLN B 64 4.863 8.322 4.680 1.00 0.00 C ATOM 1754 CD GLN B 64 5.504 8.539 6.030 1.00 0.00 C ATOM 1755 OE1 GLN B 64 4.855 8.967 6.983 1.00 0.00 O ATOM 1756 NE2 GLN B 64 6.780 8.232 6.127 1.00 0.00 N ATOM 0 H GLN B 64 1.586 7.771 5.286 1.00 0.00 H new ATOM 0 HA GLN B 64 2.947 6.991 2.821 1.00 0.00 H new ATOM 0 HB2 GLN B 64 4.229 6.476 5.540 1.00 0.00 H new ATOM 0 HB3 GLN B 64 4.972 6.317 3.961 1.00 0.00 H new ATOM 0 HG2 GLN B 64 5.603 8.484 3.896 1.00 0.00 H new ATOM 0 HG3 GLN B 64 4.073 9.058 4.530 1.00 0.00 H new ATOM 0 HE21 GLN B 64 7.283 7.880 5.313 1.00 0.00 H new ATOM 0 HE22 GLN B 64 7.266 8.346 7.017 1.00 0.00 H new ATOM 1765 N LEU B 65 2.960 4.474 3.538 1.00 0.00 N ATOM 1766 CA LEU B 65 2.601 3.065 3.657 1.00 0.00 C ATOM 1767 C LEU B 65 3.843 2.224 3.996 1.00 0.00 C ATOM 1768 O LEU B 65 4.806 2.226 3.235 1.00 0.00 O ATOM 1769 CB LEU B 65 2.047 2.587 2.321 1.00 0.00 C ATOM 1770 CG LEU B 65 1.612 1.123 2.281 1.00 0.00 C ATOM 1771 CD1 LEU B 65 0.149 0.979 2.655 1.00 0.00 C ATOM 1772 CD2 LEU B 65 1.887 0.527 0.911 1.00 0.00 C ATOM 0 H LEU B 65 3.766 4.635 2.934 1.00 0.00 H new ATOM 0 HA LEU B 65 1.861 2.952 4.449 1.00 0.00 H new ATOM 0 HB2 LEU B 65 1.193 3.210 2.057 1.00 0.00 H new ATOM 0 HB3 LEU B 65 2.806 2.745 1.554 1.00 0.00 H new ATOM 0 HG LEU B 65 2.196 0.571 3.018 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -0.134 -0.073 2.618 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -0.008 1.362 3.663 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -0.463 1.544 1.952 1.00 0.00 H new ATOM 0 HD21 LEU B 65 1.572 -0.516 0.898 1.00 0.00 H new ATOM 0 HD22 LEU B 65 1.333 1.083 0.155 1.00 0.00 H new ATOM 0 HD23 LEU B 65 2.954 0.586 0.696 1.00 0.00 H new ATOM 1784 N GLN B 66 3.847 1.530 5.134 1.00 0.00 N ATOM 1785 CA GLN B 66 4.981 0.682 5.485 1.00 0.00 C ATOM 1786 C GLN B 66 4.610 -0.788 5.270 1.00 0.00 C ATOM 1787 O GLN B 66 3.582 -1.255 5.751 1.00 0.00 O ATOM 1788 CB GLN B 66 5.459 0.924 6.925 1.00 0.00 C ATOM 1789 CG GLN B 66 4.662 0.209 8.004 1.00 0.00 C ATOM 1790 CD GLN B 66 5.545 -0.354 9.103 1.00 0.00 C ATOM 1791 OE1 GLN B 66 5.170 -1.294 9.797 1.00 0.00 O ATOM 1792 NE2 GLN B 66 6.729 0.206 9.260 1.00 0.00 N ATOM 0 H GLN B 66 3.090 1.538 5.817 1.00 0.00 H new ATOM 0 HA GLN B 66 5.814 0.942 4.831 1.00 0.00 H new ATOM 0 HB2 GLN B 66 6.501 0.614 7.001 1.00 0.00 H new ATOM 0 HB3 GLN B 66 5.430 1.995 7.125 1.00 0.00 H new ATOM 0 HG2 GLN B 66 3.943 0.903 8.440 1.00 0.00 H new ATOM 0 HG3 GLN B 66 4.090 -0.601 7.552 1.00 0.00 H new ATOM 0 HE21 GLN B 66 7.007 0.986 8.665 1.00 0.00 H new ATOM 0 HE22 GLN B 66 7.366 -0.141 9.977 1.00 0.00 H new ATOM 1801 N LEU B 67 5.432 -1.505 4.520 1.00 0.00 N ATOM 1802 CA LEU B 67 5.182 -2.916 4.242 1.00 0.00 C ATOM 1803 C LEU B 67 5.892 -3.781 5.268 1.00 0.00 C ATOM 1804 O LEU B 67 7.092 -3.650 5.457 1.00 0.00 O ATOM 1805 CB LEU B 67 5.689 -3.297 2.848 1.00 0.00 C ATOM 1806 CG LEU B 67 5.018 -2.590 1.670 1.00 0.00 C ATOM 1807 CD1 LEU B 67 5.592 -3.100 0.358 1.00 0.00 C ATOM 1808 CD2 LEU B 67 3.512 -2.794 1.708 1.00 0.00 C ATOM 0 H LEU B 67 6.280 -1.135 4.091 1.00 0.00 H new ATOM 0 HA LEU B 67 4.106 -3.080 4.291 1.00 0.00 H new ATOM 0 HB2 LEU B 67 6.759 -3.094 2.805 1.00 0.00 H new ATOM 0 HB3 LEU B 67 5.563 -4.372 2.719 1.00 0.00 H new ATOM 0 HG LEU B 67 5.218 -1.521 1.748 1.00 0.00 H new ATOM 0 HD11 LEU B 67 5.107 -2.590 -0.474 1.00 0.00 H new ATOM 0 HD12 LEU B 67 6.664 -2.904 0.329 1.00 0.00 H new ATOM 0 HD13 LEU B 67 5.417 -4.173 0.277 1.00 0.00 H new ATOM 0 HD21 LEU B 67 3.054 -2.283 0.861 1.00 0.00 H new ATOM 0 HD22 LEU B 67 3.288 -3.859 1.653 1.00 0.00 H new ATOM 0 HD23 LEU B 67 3.113 -2.386 2.637 1.00 0.00 H new ATOM 1820 N VAL B 68 5.152 -4.651 5.930 1.00 0.00 N ATOM 1821 CA VAL B 68 5.728 -5.542 6.925 1.00 0.00 C ATOM 1822 C VAL B 68 5.809 -6.953 6.367 1.00 0.00 C ATOM 1823 O VAL B 68 4.799 -7.655 6.253 1.00 0.00 O ATOM 1824 CB VAL B 68 4.893 -5.570 8.224 1.00 0.00 C ATOM 1825 CG1 VAL B 68 5.536 -6.473 9.268 1.00 0.00 C ATOM 1826 CG2 VAL B 68 4.702 -4.167 8.771 1.00 0.00 C ATOM 0 H VAL B 68 4.147 -4.761 5.797 1.00 0.00 H new ATOM 0 HA VAL B 68 6.723 -5.166 7.162 1.00 0.00 H new ATOM 0 HB VAL B 68 3.912 -5.980 7.984 1.00 0.00 H new ATOM 0 HG11 VAL B 68 4.928 -6.474 10.172 1.00 0.00 H new ATOM 0 HG12 VAL B 68 5.607 -7.488 8.877 1.00 0.00 H new ATOM 0 HG13 VAL B 68 6.534 -6.104 9.503 1.00 0.00 H new ATOM 0 HG21 VAL B 68 4.111 -4.211 9.686 1.00 0.00 H new ATOM 0 HG22 VAL B 68 5.675 -3.725 8.988 1.00 0.00 H new ATOM 0 HG23 VAL B 68 4.183 -3.556 8.033 1.00 0.00 H new ATOM 1836 N LEU B 69 7.005 -7.365 6.006 1.00 0.00 N ATOM 1837 CA LEU B 69 7.205 -8.691 5.463 1.00 0.00 C ATOM 1838 C LEU B 69 7.427 -9.672 6.599 1.00 0.00 C ATOM 1839 O LEU B 69 8.140 -9.366 7.554 1.00 0.00 O ATOM 1840 CB LEU B 69 8.389 -8.725 4.496 1.00 0.00 C ATOM 1841 CG LEU B 69 8.368 -7.669 3.389 1.00 0.00 C ATOM 1842 CD1 LEU B 69 9.115 -8.161 2.169 1.00 0.00 C ATOM 1843 CD2 LEU B 69 6.959 -7.291 2.995 1.00 0.00 C ATOM 0 H LEU B 69 7.852 -6.802 6.078 1.00 0.00 H new ATOM 0 HA LEU B 69 6.314 -8.973 4.903 1.00 0.00 H new ATOM 0 HB2 LEU B 69 9.308 -8.606 5.070 1.00 0.00 H new ATOM 0 HB3 LEU B 69 8.429 -9.711 4.033 1.00 0.00 H new ATOM 0 HG LEU B 69 8.861 -6.782 3.787 1.00 0.00 H new ATOM 0 HD11 LEU B 69 9.089 -7.396 1.393 1.00 0.00 H new ATOM 0 HD12 LEU B 69 10.151 -8.371 2.437 1.00 0.00 H new ATOM 0 HD13 LEU B 69 8.645 -9.071 1.797 1.00 0.00 H new ATOM 0 HD21 LEU B 69 6.991 -6.539 2.207 1.00 0.00 H new ATOM 0 HD22 LEU B 69 6.433 -8.174 2.633 1.00 0.00 H new ATOM 0 HD23 LEU B 69 6.435 -6.887 3.861 1.00 0.00 H new ATOM 1855 N HIS B 70 6.838 -10.854 6.492 1.00 0.00 N ATOM 1856 CA HIS B 70 6.981 -11.869 7.534 1.00 0.00 C ATOM 1857 C HIS B 70 8.381 -12.478 7.496 1.00 0.00 C ATOM 1858 O HIS B 70 8.716 -13.349 8.294 1.00 0.00 O ATOM 1859 CB HIS B 70 5.903 -12.958 7.400 1.00 0.00 C ATOM 1860 CG HIS B 70 5.614 -13.369 5.989 1.00 0.00 C ATOM 1861 ND1 HIS B 70 4.434 -13.103 5.331 1.00 0.00 N ATOM 1862 CD2 HIS B 70 6.385 -14.036 5.104 1.00 0.00 C ATOM 1863 CE1 HIS B 70 4.539 -13.608 4.097 1.00 0.00 C ATOM 1864 NE2 HIS B 70 5.697 -14.191 3.922 1.00 0.00 N ATOM 0 H HIS B 70 6.259 -11.136 5.701 1.00 0.00 H new ATOM 0 HA HIS B 70 6.843 -11.386 8.501 1.00 0.00 H new ATOM 0 HB2 HIS B 70 6.218 -13.836 7.964 1.00 0.00 H new ATOM 0 HB3 HIS B 70 4.981 -12.599 7.857 1.00 0.00 H new ATOM 0 HD2 HIS B 70 7.387 -14.393 5.294 1.00 0.00 H new ATOM 0 HE1 HIS B 70 3.768 -13.543 3.343 1.00 0.00 H new ATOM 0 HE2 HIS B 70 6.024 -14.665 3.080 1.00 0.00 H new ATOM 1872 N ALA B 71 9.188 -12.001 6.556 1.00 0.00 N ATOM 1873 CA ALA B 71 10.560 -12.453 6.408 1.00 0.00 C ATOM 1874 C ALA B 71 11.489 -11.602 7.268 1.00 0.00 C ATOM 1875 O ALA B 71 12.676 -11.891 7.395 1.00 0.00 O ATOM 1876 CB ALA B 71 10.982 -12.378 4.948 1.00 0.00 C ATOM 0 H ALA B 71 8.908 -11.292 5.878 1.00 0.00 H new ATOM 0 HA ALA B 71 10.626 -13.489 6.739 1.00 0.00 H new ATOM 0 HB1 ALA B 71 12.012 -12.719 4.849 1.00 0.00 H new ATOM 0 HB2 ALA B 71 10.330 -13.013 4.348 1.00 0.00 H new ATOM 0 HB3 ALA B 71 10.906 -11.348 4.600 1.00 0.00 H new ATOM 1882 N GLY B 72 10.931 -10.547 7.857 1.00 0.00 N ATOM 1883 CA GLY B 72 11.716 -9.661 8.695 1.00 0.00 C ATOM 1884 C GLY B 72 12.162 -8.418 7.954 1.00 0.00 C ATOM 1885 O GLY B 72 13.232 -7.877 8.227 1.00 0.00 O ATOM 0 H GLY B 72 9.948 -10.291 7.768 1.00 0.00 H new ATOM 0 HA2 GLY B 72 11.128 -9.371 9.566 1.00 0.00 H new ATOM 0 HA3 GLY B 72 12.591 -10.195 9.065 1.00 0.00 H new ATOM 1889 N ASP B 73 11.338 -7.963 7.018 1.00 0.00 N ATOM 1890 CA ASP B 73 11.653 -6.775 6.229 1.00 0.00 C ATOM 1891 C ASP B 73 10.488 -5.788 6.260 1.00 0.00 C ATOM 1892 O ASP B 73 9.333 -6.192 6.363 1.00 0.00 O ATOM 1893 CB ASP B 73 11.972 -7.168 4.781 1.00 0.00 C ATOM 1894 CG ASP B 73 12.162 -5.966 3.872 1.00 0.00 C ATOM 1895 OD1 ASP B 73 12.903 -5.036 4.255 1.00 0.00 O ATOM 1896 OD2 ASP B 73 11.564 -5.948 2.775 1.00 0.00 O ATOM 0 H ASP B 73 10.445 -8.398 6.785 1.00 0.00 H new ATOM 0 HA ASP B 73 12.529 -6.294 6.665 1.00 0.00 H new ATOM 0 HB2 ASP B 73 12.877 -7.776 4.765 1.00 0.00 H new ATOM 0 HB3 ASP B 73 11.165 -7.788 4.392 1.00 0.00 H new ATOM 1901 N THR B 74 10.795 -4.503 6.192 1.00 0.00 N ATOM 1902 CA THR B 74 9.778 -3.467 6.198 1.00 0.00 C ATOM 1903 C THR B 74 10.121 -2.379 5.181 1.00 0.00 C ATOM 1904 O THR B 74 11.240 -1.876 5.159 1.00 0.00 O ATOM 1905 CB THR B 74 9.634 -2.831 7.594 1.00 0.00 C ATOM 1906 OG1 THR B 74 10.921 -2.726 8.219 1.00 0.00 O ATOM 1907 CG2 THR B 74 8.703 -3.650 8.477 1.00 0.00 C ATOM 0 H THR B 74 11.750 -4.151 6.131 1.00 0.00 H new ATOM 0 HA THR B 74 8.831 -3.935 5.929 1.00 0.00 H new ATOM 0 HB THR B 74 9.205 -1.837 7.470 1.00 0.00 H new ATOM 0 HG1 THR B 74 10.822 -2.319 9.105 1.00 0.00 H new ATOM 0 HG21 THR B 74 8.621 -3.177 9.456 1.00 0.00 H new ATOM 0 HG22 THR B 74 7.717 -3.703 8.015 1.00 0.00 H new ATOM 0 HG23 THR B 74 9.104 -4.657 8.593 1.00 0.00 H new ATOM 1915 N THR B 75 9.154 -2.008 4.350 1.00 0.00 N ATOM 1916 CA THR B 75 9.378 -0.984 3.334 1.00 0.00 C ATOM 1917 C THR B 75 8.516 0.258 3.583 1.00 0.00 C ATOM 1918 O THR B 75 7.293 0.179 3.593 1.00 0.00 O ATOM 1919 CB THR B 75 9.073 -1.539 1.932 1.00 0.00 C ATOM 1920 OG1 THR B 75 9.363 -2.941 1.893 1.00 0.00 O ATOM 1921 CG2 THR B 75 9.891 -0.817 0.872 1.00 0.00 C ATOM 0 H THR B 75 8.212 -2.398 4.358 1.00 0.00 H new ATOM 0 HA THR B 75 10.427 -0.695 3.395 1.00 0.00 H new ATOM 0 HB THR B 75 8.016 -1.377 1.721 1.00 0.00 H new ATOM 0 HG1 THR B 75 9.166 -3.291 0.999 1.00 0.00 H new ATOM 0 HG21 THR B 75 9.657 -1.228 -0.110 1.00 0.00 H new ATOM 0 HG22 THR B 75 9.650 0.246 0.888 1.00 0.00 H new ATOM 0 HG23 THR B 75 10.953 -0.951 1.078 1.00 0.00 H new ATOM 1929 N ASN B 76 9.164 1.400 3.781 1.00 0.00 N ATOM 1930 CA ASN B 76 8.463 2.662 4.036 1.00 0.00 C ATOM 1931 C ASN B 76 8.226 3.430 2.733 1.00 0.00 C ATOM 1932 O ASN B 76 9.175 3.883 2.092 1.00 0.00 O ATOM 1933 CB ASN B 76 9.281 3.530 4.991 1.00 0.00 C ATOM 1934 CG ASN B 76 9.749 2.760 6.206 1.00 0.00 C ATOM 1935 OD1 ASN B 76 10.861 2.244 6.231 1.00 0.00 O ATOM 1936 ND2 ASN B 76 8.895 2.664 7.208 1.00 0.00 N ATOM 0 H ASN B 76 10.181 1.482 3.770 1.00 0.00 H new ATOM 0 HA ASN B 76 7.498 2.427 4.485 1.00 0.00 H new ATOM 0 HB2 ASN B 76 10.146 3.932 4.463 1.00 0.00 H new ATOM 0 HB3 ASN B 76 8.679 4.380 5.312 1.00 0.00 H new ATOM 0 HD21 ASN B 76 9.150 2.144 8.047 1.00 0.00 H new ATOM 0 HD22 ASN B 76 7.980 3.110 7.143 1.00 0.00 H new ATOM 1943 N PHE B 77 6.966 3.568 2.340 1.00 0.00 N ATOM 1944 CA PHE B 77 6.614 4.289 1.118 1.00 0.00 C ATOM 1945 C PHE B 77 5.974 5.636 1.437 1.00 0.00 C ATOM 1946 O PHE B 77 4.840 5.687 1.900 1.00 0.00 O ATOM 1947 CB PHE B 77 5.644 3.462 0.271 1.00 0.00 C ATOM 1948 CG PHE B 77 6.309 2.394 -0.542 1.00 0.00 C ATOM 1949 CD1 PHE B 77 7.338 2.713 -1.410 1.00 0.00 C ATOM 1950 CD2 PHE B 77 5.903 1.073 -0.444 1.00 0.00 C ATOM 1951 CE1 PHE B 77 7.951 1.736 -2.164 1.00 0.00 C ATOM 1952 CE2 PHE B 77 6.514 0.090 -1.198 1.00 0.00 C ATOM 1953 CZ PHE B 77 7.539 0.423 -2.058 1.00 0.00 C ATOM 0 H PHE B 77 6.167 3.190 2.850 1.00 0.00 H new ATOM 0 HA PHE B 77 7.535 4.459 0.561 1.00 0.00 H new ATOM 0 HB2 PHE B 77 4.907 3.000 0.927 1.00 0.00 H new ATOM 0 HB3 PHE B 77 5.101 4.129 -0.398 1.00 0.00 H new ATOM 0 HD1 PHE B 77 7.664 3.739 -1.498 1.00 0.00 H new ATOM 0 HD2 PHE B 77 5.101 0.809 0.229 1.00 0.00 H new ATOM 0 HE1 PHE B 77 8.754 1.998 -2.838 1.00 0.00 H new ATOM 0 HE2 PHE B 77 6.190 -0.937 -1.114 1.00 0.00 H new ATOM 0 HZ PHE B 77 8.019 -0.343 -2.648 1.00 0.00 H new ATOM 1963 N HIS B 78 6.697 6.717 1.174 1.00 0.00 N ATOM 1964 CA HIS B 78 6.201 8.067 1.431 1.00 0.00 C ATOM 1965 C HIS B 78 5.433 8.570 0.207 1.00 0.00 C ATOM 1966 O HIS B 78 6.011 8.792 -0.855 1.00 0.00 O ATOM 1967 CB HIS B 78 7.403 8.973 1.784 1.00 0.00 C ATOM 1968 CG HIS B 78 7.166 10.463 1.803 1.00 0.00 C ATOM 1969 ND1 HIS B 78 6.114 11.215 1.382 1.00 0.00 N flip ATOM 1970 CD2 HIS B 78 8.108 11.362 2.258 1.00 0.00 C flip ATOM 1971 CE1 HIS B 78 6.409 12.561 1.568 1.00 0.00 C flip ATOM 1972 NE2 HIS B 78 7.616 12.595 2.095 1.00 0.00 N flip ATOM 0 H HIS B 78 7.637 6.686 0.779 1.00 0.00 H new ATOM 0 HA HIS B 78 5.509 8.077 2.273 1.00 0.00 H new ATOM 0 HB2 HIS B 78 7.771 8.678 2.767 1.00 0.00 H new ATOM 0 HB3 HIS B 78 8.201 8.768 1.070 1.00 0.00 H new ATOM 0 HD2 HIS B 78 9.074 11.114 2.673 1.00 0.00 H new ATOM 0 HE1 HIS B 78 5.779 13.405 1.330 1.00 0.00 H new ATOM 0 HE2 HIS B 78 8.111 13.451 2.346 1.00 0.00 H new ATOM 1980 N PHE B 79 4.127 8.733 0.359 1.00 0.00 N ATOM 1981 CA PHE B 79 3.282 9.208 -0.729 1.00 0.00 C ATOM 1982 C PHE B 79 3.426 10.718 -0.880 1.00 0.00 C ATOM 1983 O PHE B 79 2.898 11.485 -0.076 1.00 0.00 O ATOM 1984 CB PHE B 79 1.815 8.852 -0.465 1.00 0.00 C ATOM 1985 CG PHE B 79 1.478 7.402 -0.684 1.00 0.00 C ATOM 1986 CD1 PHE B 79 1.889 6.433 0.217 1.00 0.00 C ATOM 1987 CD2 PHE B 79 0.734 7.013 -1.786 1.00 0.00 C ATOM 1988 CE1 PHE B 79 1.567 5.103 0.019 1.00 0.00 C ATOM 1989 CE2 PHE B 79 0.407 5.685 -1.986 1.00 0.00 C ATOM 1990 CZ PHE B 79 0.824 4.729 -1.083 1.00 0.00 C ATOM 0 H PHE B 79 3.627 8.543 1.228 1.00 0.00 H new ATOM 0 HA PHE B 79 3.600 8.722 -1.651 1.00 0.00 H new ATOM 0 HB2 PHE B 79 1.568 9.118 0.563 1.00 0.00 H new ATOM 0 HB3 PHE B 79 1.184 9.461 -1.112 1.00 0.00 H new ATOM 0 HD1 PHE B 79 2.467 6.720 1.083 1.00 0.00 H new ATOM 0 HD2 PHE B 79 0.406 7.756 -2.497 1.00 0.00 H new ATOM 0 HE1 PHE B 79 1.897 4.357 0.726 1.00 0.00 H new ATOM 0 HE2 PHE B 79 -0.175 5.396 -2.849 1.00 0.00 H new ATOM 0 HZ PHE B 79 0.570 3.691 -1.238 1.00 0.00 H new ATOM 2000 N SER B 80 4.140 11.142 -1.913 1.00 0.00 N ATOM 2001 CA SER B 80 4.363 12.561 -2.146 1.00 0.00 C ATOM 2002 C SER B 80 3.455 13.107 -3.249 1.00 0.00 C ATOM 2003 O SER B 80 3.726 14.168 -3.815 1.00 0.00 O ATOM 2004 CB SER B 80 5.833 12.811 -2.492 1.00 0.00 C ATOM 2005 OG SER B 80 6.370 11.750 -3.265 1.00 0.00 O ATOM 0 H SER B 80 4.573 10.526 -2.601 1.00 0.00 H new ATOM 0 HA SER B 80 4.114 13.092 -1.227 1.00 0.00 H new ATOM 0 HB2 SER B 80 5.925 13.747 -3.043 1.00 0.00 H new ATOM 0 HB3 SER B 80 6.410 12.923 -1.574 1.00 0.00 H new ATOM 0 HG SER B 80 5.706 11.457 -3.924 1.00 0.00 H new ATOM 2011 N ASN B 81 2.391 12.378 -3.566 1.00 0.00 N ATOM 2012 CA ASN B 81 1.444 12.827 -4.580 1.00 0.00 C ATOM 2013 C ASN B 81 0.425 13.746 -3.923 1.00 0.00 C ATOM 2014 O ASN B 81 -0.537 13.288 -3.318 1.00 0.00 O ATOM 2015 CB ASN B 81 0.734 11.648 -5.253 1.00 0.00 C ATOM 2016 CG ASN B 81 -0.104 12.096 -6.438 1.00 0.00 C ATOM 2017 OD1 ASN B 81 0.226 13.071 -7.105 1.00 0.00 O ATOM 2018 ND2 ASN B 81 -1.190 11.393 -6.709 1.00 0.00 N ATOM 0 H ASN B 81 2.163 11.480 -3.139 1.00 0.00 H new ATOM 0 HA ASN B 81 1.990 13.362 -5.357 1.00 0.00 H new ATOM 0 HB2 ASN B 81 1.474 10.920 -5.586 1.00 0.00 H new ATOM 0 HB3 ASN B 81 0.096 11.145 -4.526 1.00 0.00 H new ATOM 0 HD21 ASN B 81 -1.785 11.656 -7.495 1.00 0.00 H new ATOM 0 HD22 ASN B 81 -1.433 10.588 -6.132 1.00 0.00 H new ATOM 2025 N GLU B 82 0.622 15.042 -4.076 1.00 0.00 N ATOM 2026 CA GLU B 82 -0.236 16.043 -3.445 1.00 0.00 C ATOM 2027 C GLU B 82 -1.694 15.980 -3.912 1.00 0.00 C ATOM 2028 O GLU B 82 -2.537 16.715 -3.401 1.00 0.00 O ATOM 2029 CB GLU B 82 0.330 17.453 -3.668 1.00 0.00 C ATOM 2030 CG GLU B 82 0.627 17.794 -5.125 1.00 0.00 C ATOM 2031 CD GLU B 82 1.954 17.234 -5.602 1.00 0.00 C ATOM 2032 OE1 GLU B 82 2.991 17.903 -5.431 1.00 0.00 O ATOM 2033 OE2 GLU B 82 1.970 16.104 -6.135 1.00 0.00 O ATOM 0 H GLU B 82 1.377 15.436 -4.638 1.00 0.00 H new ATOM 0 HA GLU B 82 -0.241 15.811 -2.380 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -0.379 18.181 -3.275 1.00 0.00 H new ATOM 0 HB3 GLU B 82 1.248 17.558 -3.089 1.00 0.00 H new ATOM 0 HG2 GLU B 82 -0.173 17.405 -5.755 1.00 0.00 H new ATOM 0 HG3 GLU B 82 0.630 18.877 -5.246 1.00 0.00 H new ATOM 2040 N SER B 83 -2.001 15.111 -4.865 1.00 0.00 N ATOM 2041 CA SER B 83 -3.367 14.994 -5.348 1.00 0.00 C ATOM 2042 C SER B 83 -4.186 14.026 -4.485 1.00 0.00 C ATOM 2043 O SER B 83 -5.171 14.420 -3.864 1.00 0.00 O ATOM 2044 CB SER B 83 -3.364 14.530 -6.804 1.00 0.00 C ATOM 2045 OG SER B 83 -2.411 15.253 -7.563 1.00 0.00 O ATOM 0 H SER B 83 -1.332 14.485 -5.313 1.00 0.00 H new ATOM 0 HA SER B 83 -3.836 15.976 -5.282 1.00 0.00 H new ATOM 0 HB2 SER B 83 -3.139 13.465 -6.850 1.00 0.00 H new ATOM 0 HB3 SER B 83 -4.356 14.665 -7.235 1.00 0.00 H new ATOM 0 HG SER B 83 -2.425 14.938 -8.491 1.00 0.00 H new ATOM 2051 N THR B 84 -3.771 12.765 -4.429 1.00 0.00 N ATOM 2052 CA THR B 84 -4.495 11.761 -3.652 1.00 0.00 C ATOM 2053 C THR B 84 -3.562 10.889 -2.817 1.00 0.00 C ATOM 2054 O THR B 84 -3.891 9.742 -2.546 1.00 0.00 O ATOM 2055 CB THR B 84 -5.325 10.857 -4.581 1.00 0.00 C ATOM 2056 OG1 THR B 84 -4.630 10.671 -5.823 1.00 0.00 O ATOM 2057 CG2 THR B 84 -6.697 11.458 -4.847 1.00 0.00 C ATOM 0 H THR B 84 -2.942 12.414 -4.909 1.00 0.00 H new ATOM 0 HA THR B 84 -5.151 12.306 -2.973 1.00 0.00 H new ATOM 0 HB THR B 84 -5.462 9.894 -4.088 1.00 0.00 H new ATOM 0 HG1 THR B 84 -3.684 10.490 -5.644 1.00 0.00 H new ATOM 0 HG21 THR B 84 -7.262 10.798 -5.506 1.00 0.00 H new ATOM 0 HG22 THR B 84 -7.232 11.574 -3.905 1.00 0.00 H new ATOM 0 HG23 THR B 84 -6.582 12.433 -5.321 1.00 0.00 H new ATOM 2065 N ALA B 85 -2.425 11.436 -2.388 1.00 0.00 N ATOM 2066 CA ALA B 85 -1.438 10.683 -1.598 1.00 0.00 C ATOM 2067 C ALA B 85 -2.078 9.864 -0.483 1.00 0.00 C ATOM 2068 O ALA B 85 -1.778 8.682 -0.306 1.00 0.00 O ATOM 2069 CB ALA B 85 -0.414 11.629 -0.992 1.00 0.00 C ATOM 0 H ALA B 85 -2.159 12.403 -2.573 1.00 0.00 H new ATOM 0 HA ALA B 85 -0.954 9.990 -2.287 1.00 0.00 H new ATOM 0 HB1 ALA B 85 0.310 11.058 -0.410 1.00 0.00 H new ATOM 0 HB2 ALA B 85 0.102 12.165 -1.788 1.00 0.00 H new ATOM 0 HB3 ALA B 85 -0.919 12.344 -0.342 1.00 0.00 H new ATOM 2075 N VAL B 86 -2.987 10.490 0.243 1.00 0.00 N ATOM 2076 CA VAL B 86 -3.641 9.844 1.359 1.00 0.00 C ATOM 2077 C VAL B 86 -4.608 8.773 0.894 1.00 0.00 C ATOM 2078 O VAL B 86 -4.602 7.649 1.388 1.00 0.00 O ATOM 2079 CB VAL B 86 -4.434 10.860 2.196 1.00 0.00 C ATOM 2080 CG1 VAL B 86 -4.658 10.320 3.589 1.00 0.00 C ATOM 2081 CG2 VAL B 86 -3.737 12.212 2.238 1.00 0.00 C ATOM 0 H VAL B 86 -3.288 11.450 0.076 1.00 0.00 H new ATOM 0 HA VAL B 86 -2.852 9.392 1.960 1.00 0.00 H new ATOM 0 HB VAL B 86 -5.403 11.013 1.721 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -5.221 11.047 4.175 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -5.219 9.387 3.532 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -3.696 10.136 4.067 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -4.325 12.906 2.838 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -2.748 12.098 2.681 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -3.638 12.602 1.225 1.00 0.00 H new ATOM 2091 N LYS B 87 -5.410 9.131 -0.086 1.00 0.00 N ATOM 2092 CA LYS B 87 -6.438 8.248 -0.601 1.00 0.00 C ATOM 2093 C LYS B 87 -5.863 7.086 -1.402 1.00 0.00 C ATOM 2094 O LYS B 87 -6.400 5.980 -1.361 1.00 0.00 O ATOM 2095 CB LYS B 87 -7.430 9.068 -1.416 1.00 0.00 C ATOM 2096 CG LYS B 87 -8.019 10.216 -0.606 1.00 0.00 C ATOM 2097 CD LYS B 87 -8.532 9.716 0.737 1.00 0.00 C ATOM 2098 CE LYS B 87 -7.828 10.372 1.922 1.00 0.00 C ATOM 2099 NZ LYS B 87 -7.911 9.539 3.162 1.00 0.00 N ATOM 0 H LYS B 87 -5.369 10.039 -0.548 1.00 0.00 H new ATOM 0 HA LYS B 87 -6.957 7.789 0.240 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -6.932 9.466 -2.300 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -8.234 8.421 -1.767 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -7.261 10.984 -0.449 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -8.833 10.681 -1.162 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -9.603 9.907 0.805 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -8.397 8.636 0.793 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -6.781 10.543 1.671 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -8.274 11.348 2.112 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -7.335 9.973 3.911 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -8.901 9.481 3.476 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -7.555 8.583 2.962 1.00 0.00 H new ATOM 2113 N GLU B 88 -4.779 7.328 -2.122 1.00 0.00 N ATOM 2114 CA GLU B 88 -4.142 6.270 -2.884 1.00 0.00 C ATOM 2115 C GLU B 88 -3.575 5.250 -1.912 1.00 0.00 C ATOM 2116 O GLU B 88 -3.629 4.048 -2.157 1.00 0.00 O ATOM 2117 CB GLU B 88 -3.055 6.828 -3.804 1.00 0.00 C ATOM 2118 CG GLU B 88 -3.615 7.404 -5.093 1.00 0.00 C ATOM 2119 CD GLU B 88 -2.599 8.202 -5.883 1.00 0.00 C ATOM 2120 OE1 GLU B 88 -2.318 9.354 -5.494 1.00 0.00 O ATOM 2121 OE2 GLU B 88 -2.102 7.692 -6.913 1.00 0.00 O ATOM 0 H GLU B 88 -4.327 8.239 -2.194 1.00 0.00 H new ATOM 0 HA GLU B 88 -4.878 5.788 -3.527 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -2.501 7.603 -3.275 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -2.346 6.036 -4.043 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -3.990 6.590 -5.714 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -4.466 8.044 -4.858 1.00 0.00 H new ATOM 2128 N ARG B 89 -3.062 5.746 -0.787 1.00 0.00 N ATOM 2129 CA ARG B 89 -2.530 4.884 0.258 1.00 0.00 C ATOM 2130 C ARG B 89 -3.647 4.003 0.806 1.00 0.00 C ATOM 2131 O ARG B 89 -3.438 2.829 1.109 1.00 0.00 O ATOM 2132 CB ARG B 89 -1.915 5.728 1.388 1.00 0.00 C ATOM 2133 CG ARG B 89 -1.759 4.986 2.711 1.00 0.00 C ATOM 2134 CD ARG B 89 -2.884 5.319 3.685 1.00 0.00 C ATOM 2135 NE ARG B 89 -2.552 6.455 4.540 1.00 0.00 N ATOM 2136 CZ ARG B 89 -3.455 7.253 5.116 1.00 0.00 C ATOM 2137 NH1 ARG B 89 -4.757 7.042 4.966 1.00 0.00 N ATOM 2138 NH2 ARG B 89 -3.056 8.268 5.861 1.00 0.00 N ATOM 0 H ARG B 89 -3.005 6.743 -0.579 1.00 0.00 H new ATOM 0 HA ARG B 89 -1.747 4.253 -0.163 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -0.936 6.085 1.068 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -2.538 6.608 1.549 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -1.745 3.912 2.526 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -0.800 5.244 3.161 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -3.793 5.540 3.126 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -3.095 4.448 4.306 1.00 0.00 H new ATOM 0 HE ARG B 89 -1.566 6.652 4.709 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -5.085 6.258 4.402 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -5.429 7.664 5.415 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -2.060 8.441 5.996 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -3.744 8.879 6.302 1.00 0.00 H new ATOM 2152 N ASP B 90 -4.835 4.586 0.913 1.00 0.00 N ATOM 2153 CA ASP B 90 -6.006 3.887 1.426 1.00 0.00 C ATOM 2154 C ASP B 90 -6.426 2.752 0.503 1.00 0.00 C ATOM 2155 O ASP B 90 -6.759 1.661 0.969 1.00 0.00 O ATOM 2156 CB ASP B 90 -7.174 4.861 1.615 1.00 0.00 C ATOM 2157 CG ASP B 90 -6.958 5.802 2.783 1.00 0.00 C ATOM 2158 OD1 ASP B 90 -6.398 5.354 3.806 1.00 0.00 O ATOM 2159 OD2 ASP B 90 -7.338 6.993 2.678 1.00 0.00 O ATOM 0 H ASP B 90 -5.013 5.554 0.647 1.00 0.00 H new ATOM 0 HA ASP B 90 -5.735 3.460 2.391 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -7.309 5.443 0.703 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -8.093 4.296 1.772 1.00 0.00 H new ATOM 2164 N ALA B 91 -6.371 2.999 -0.804 1.00 0.00 N ATOM 2165 CA ALA B 91 -6.761 1.996 -1.785 1.00 0.00 C ATOM 2166 C ALA B 91 -5.684 0.938 -1.887 1.00 0.00 C ATOM 2167 O ALA B 91 -5.972 -0.253 -2.007 1.00 0.00 O ATOM 2168 CB ALA B 91 -7.019 2.634 -3.139 1.00 0.00 C ATOM 0 H ALA B 91 -6.060 3.884 -1.205 1.00 0.00 H new ATOM 0 HA ALA B 91 -7.689 1.527 -1.458 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -7.309 1.864 -3.855 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -7.821 3.366 -3.049 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -6.112 3.130 -3.486 1.00 0.00 H new ATOM 2174 N VAL B 92 -4.433 1.389 -1.842 1.00 0.00 N ATOM 2175 CA VAL B 92 -3.297 0.490 -1.883 1.00 0.00 C ATOM 2176 C VAL B 92 -3.381 -0.445 -0.686 1.00 0.00 C ATOM 2177 O VAL B 92 -3.157 -1.647 -0.795 1.00 0.00 O ATOM 2178 CB VAL B 92 -1.966 1.279 -1.853 1.00 0.00 C ATOM 2179 CG1 VAL B 92 -0.809 0.397 -1.435 1.00 0.00 C ATOM 2180 CG2 VAL B 92 -1.684 1.902 -3.208 1.00 0.00 C ATOM 0 H VAL B 92 -4.186 2.377 -1.777 1.00 0.00 H new ATOM 0 HA VAL B 92 -3.320 -0.083 -2.810 1.00 0.00 H new ATOM 0 HB VAL B 92 -2.071 2.072 -1.113 1.00 0.00 H new ATOM 0 HG11 VAL B 92 0.110 0.983 -1.425 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -0.997 -0.001 -0.438 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -0.706 -0.427 -2.141 1.00 0.00 H new ATOM 0 HG21 VAL B 92 -0.744 2.452 -3.167 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -1.612 1.117 -3.961 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -2.493 2.584 -3.470 1.00 0.00 H new ATOM 2190 N LYS B 93 -3.745 0.142 0.447 1.00 0.00 N ATOM 2191 CA LYS B 93 -3.909 -0.574 1.701 1.00 0.00 C ATOM 2192 C LYS B 93 -4.878 -1.735 1.538 1.00 0.00 C ATOM 2193 O LYS B 93 -4.552 -2.889 1.827 1.00 0.00 O ATOM 2194 CB LYS B 93 -4.453 0.400 2.750 1.00 0.00 C ATOM 2195 CG LYS B 93 -4.744 -0.225 4.101 1.00 0.00 C ATOM 2196 CD LYS B 93 -6.196 -0.671 4.234 1.00 0.00 C ATOM 2197 CE LYS B 93 -7.105 0.470 4.658 1.00 0.00 C ATOM 2198 NZ LYS B 93 -7.988 0.927 3.547 1.00 0.00 N ATOM 0 H LYS B 93 -3.936 1.141 0.519 1.00 0.00 H new ATOM 0 HA LYS B 93 -2.945 -0.975 2.014 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -3.733 1.207 2.885 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -5.369 0.851 2.368 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -4.088 -1.083 4.250 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -4.514 0.493 4.888 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -6.540 -1.074 3.282 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -6.262 -1.478 4.964 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -7.719 0.150 5.500 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -6.498 1.306 5.005 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -8.360 1.873 3.766 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -7.442 0.966 2.663 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -8.779 0.261 3.436 1.00 0.00 H new ATOM 2212 N ASP B 94 -6.074 -1.396 1.080 1.00 0.00 N ATOM 2213 CA ASP B 94 -7.144 -2.367 0.877 1.00 0.00 C ATOM 2214 C ASP B 94 -6.728 -3.449 -0.101 1.00 0.00 C ATOM 2215 O ASP B 94 -6.766 -4.632 0.228 1.00 0.00 O ATOM 2216 CB ASP B 94 -8.405 -1.668 0.360 1.00 0.00 C ATOM 2217 CG ASP B 94 -9.066 -0.809 1.415 1.00 0.00 C ATOM 2218 OD1 ASP B 94 -9.158 -1.250 2.578 1.00 0.00 O ATOM 2219 OD2 ASP B 94 -9.464 0.326 1.099 1.00 0.00 O ATOM 0 H ASP B 94 -6.332 -0.439 0.838 1.00 0.00 H new ATOM 0 HA ASP B 94 -7.354 -2.833 1.840 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -8.147 -1.048 -0.499 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -9.114 -2.418 0.010 1.00 0.00 H new ATOM 2224 N LEU B 95 -6.317 -3.036 -1.295 1.00 0.00 N ATOM 2225 CA LEU B 95 -5.899 -3.976 -2.327 1.00 0.00 C ATOM 2226 C LEU B 95 -4.817 -4.909 -1.795 1.00 0.00 C ATOM 2227 O LEU B 95 -4.874 -6.121 -1.997 1.00 0.00 O ATOM 2228 CB LEU B 95 -5.393 -3.225 -3.563 1.00 0.00 C ATOM 2229 CG LEU B 95 -5.314 -4.065 -4.841 1.00 0.00 C ATOM 2230 CD1 LEU B 95 -6.694 -4.572 -5.234 1.00 0.00 C ATOM 2231 CD2 LEU B 95 -4.703 -3.256 -5.973 1.00 0.00 C ATOM 0 H LEU B 95 -6.265 -2.056 -1.572 1.00 0.00 H new ATOM 0 HA LEU B 95 -6.763 -4.576 -2.614 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -6.048 -2.373 -3.746 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -4.402 -2.825 -3.347 1.00 0.00 H new ATOM 0 HG LEU B 95 -4.674 -4.926 -4.647 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -6.618 -5.167 -6.144 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -7.098 -5.188 -4.431 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -7.357 -3.725 -5.409 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -4.655 -3.869 -6.873 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -5.318 -2.377 -6.165 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -3.697 -2.941 -5.694 1.00 0.00 H new ATOM 2243 N LEU B 96 -3.856 -4.337 -1.082 1.00 0.00 N ATOM 2244 CA LEU B 96 -2.765 -5.106 -0.512 1.00 0.00 C ATOM 2245 C LEU B 96 -3.265 -6.136 0.496 1.00 0.00 C ATOM 2246 O LEU B 96 -2.996 -7.322 0.346 1.00 0.00 O ATOM 2247 CB LEU B 96 -1.749 -4.185 0.162 1.00 0.00 C ATOM 2248 CG LEU B 96 -0.615 -3.690 -0.735 1.00 0.00 C ATOM 2249 CD1 LEU B 96 0.214 -2.644 -0.010 1.00 0.00 C ATOM 2250 CD2 LEU B 96 0.265 -4.850 -1.168 1.00 0.00 C ATOM 0 H LEU B 96 -3.813 -3.337 -0.885 1.00 0.00 H new ATOM 0 HA LEU B 96 -2.284 -5.636 -1.334 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -2.278 -3.319 0.561 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -1.314 -4.712 1.011 1.00 0.00 H new ATOM 0 HG LEU B 96 -1.052 -3.235 -1.624 1.00 0.00 H new ATOM 0 HD11 LEU B 96 1.018 -2.301 -0.662 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -0.420 -1.799 0.259 1.00 0.00 H new ATOM 0 HD13 LEU B 96 0.640 -3.080 0.893 1.00 0.00 H new ATOM 0 HD21 LEU B 96 1.067 -4.480 -1.806 1.00 0.00 H new ATOM 0 HD22 LEU B 96 0.693 -5.330 -0.288 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -0.333 -5.574 -1.721 1.00 0.00 H new ATOM 2262 N GLN B 97 -4.024 -5.697 1.503 1.00 0.00 N ATOM 2263 CA GLN B 97 -4.508 -6.621 2.528 1.00 0.00 C ATOM 2264 C GLN B 97 -5.512 -7.622 1.973 1.00 0.00 C ATOM 2265 O GLN B 97 -5.701 -8.686 2.551 1.00 0.00 O ATOM 2266 CB GLN B 97 -5.048 -5.881 3.768 1.00 0.00 C ATOM 2267 CG GLN B 97 -6.414 -5.236 3.640 1.00 0.00 C ATOM 2268 CD GLN B 97 -6.856 -4.586 4.949 1.00 0.00 C ATOM 2269 OE1 GLN B 97 -6.342 -5.080 6.082 1.00 0.00 O flip ATOM 2270 NE2 GLN B 97 -7.632 -3.637 4.947 1.00 0.00 N flip ATOM 0 H GLN B 97 -4.312 -4.727 1.629 1.00 0.00 H new ATOM 0 HA GLN B 97 -3.645 -7.199 2.860 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -5.083 -6.588 4.597 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -4.331 -5.106 4.040 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -6.389 -4.485 2.851 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -7.145 -5.988 3.342 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -8.005 -3.285 4.065 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -7.904 -3.199 5.827 1.00 0.00 H new ATOM 2279 N GLN B 98 -6.133 -7.302 0.850 1.00 0.00 N ATOM 2280 CA GLN B 98 -7.087 -8.211 0.229 1.00 0.00 C ATOM 2281 C GLN B 98 -6.364 -9.312 -0.542 1.00 0.00 C ATOM 2282 O GLN B 98 -6.780 -10.471 -0.526 1.00 0.00 O ATOM 2283 CB GLN B 98 -8.017 -7.454 -0.717 1.00 0.00 C ATOM 2284 CG GLN B 98 -9.094 -6.660 -0.004 1.00 0.00 C ATOM 2285 CD GLN B 98 -9.931 -5.826 -0.951 1.00 0.00 C ATOM 2286 OE1 GLN B 98 -10.169 -6.210 -2.095 1.00 0.00 O ATOM 2287 NE2 GLN B 98 -10.381 -4.674 -0.481 1.00 0.00 N ATOM 0 H GLN B 98 -5.996 -6.424 0.350 1.00 0.00 H new ATOM 0 HA GLN B 98 -7.679 -8.664 1.024 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -7.424 -6.776 -1.331 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -8.490 -8.165 -1.394 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -9.744 -7.345 0.541 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -8.629 -6.007 0.734 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -10.161 -4.392 0.474 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -10.948 -4.068 -1.074 1.00 0.00 H new ATOM 2296 N LEU B 99 -5.279 -8.944 -1.213 1.00 0.00 N ATOM 2297 CA LEU B 99 -4.512 -9.895 -2.016 1.00 0.00 C ATOM 2298 C LEU B 99 -3.442 -10.622 -1.202 1.00 0.00 C ATOM 2299 O LEU B 99 -3.083 -11.756 -1.518 1.00 0.00 O ATOM 2300 CB LEU B 99 -3.862 -9.171 -3.190 1.00 0.00 C ATOM 2301 CG LEU B 99 -4.853 -8.539 -4.161 1.00 0.00 C ATOM 2302 CD1 LEU B 99 -4.175 -7.466 -4.999 1.00 0.00 C ATOM 2303 CD2 LEU B 99 -5.480 -9.601 -5.049 1.00 0.00 C ATOM 0 H LEU B 99 -4.908 -7.994 -1.218 1.00 0.00 H new ATOM 0 HA LEU B 99 -5.211 -10.649 -2.378 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -3.203 -8.393 -2.803 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -3.236 -9.877 -3.736 1.00 0.00 H new ATOM 0 HG LEU B 99 -5.646 -8.065 -3.582 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -4.900 -7.028 -5.685 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -3.779 -6.689 -4.345 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -3.359 -7.911 -5.569 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -6.185 -9.132 -5.736 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -4.700 -10.106 -5.619 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -6.006 -10.328 -4.431 1.00 0.00 H new ATOM 2315 N LEU B 100 -2.944 -9.963 -0.160 1.00 0.00 N ATOM 2316 CA LEU B 100 -1.896 -10.519 0.703 1.00 0.00 C ATOM 2317 C LEU B 100 -2.099 -11.978 1.101 1.00 0.00 C ATOM 2318 O LEU B 100 -1.282 -12.826 0.747 1.00 0.00 O ATOM 2319 CB LEU B 100 -1.717 -9.676 1.966 1.00 0.00 C ATOM 2320 CG LEU B 100 -0.673 -8.586 1.843 1.00 0.00 C ATOM 2321 CD1 LEU B 100 -0.485 -7.871 3.171 1.00 0.00 C ATOM 2322 CD2 LEU B 100 0.621 -9.208 1.376 1.00 0.00 C ATOM 0 H LEU B 100 -3.252 -9.030 0.113 1.00 0.00 H new ATOM 0 HA LEU B 100 -0.996 -10.487 0.089 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -2.673 -9.220 2.223 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -1.444 -10.333 2.792 1.00 0.00 H new ATOM 0 HG LEU B 100 -1.001 -7.842 1.117 1.00 0.00 H new ATOM 0 HD11 LEU B 100 0.269 -7.092 3.061 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -1.429 -7.422 3.479 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -0.160 -8.586 3.927 1.00 0.00 H new ATOM 0 HD21 LEU B 100 1.383 -8.435 1.283 1.00 0.00 H new ATOM 0 HD22 LEU B 100 0.948 -9.954 2.100 1.00 0.00 H new ATOM 0 HD23 LEU B 100 0.467 -9.685 0.408 1.00 0.00 H new ATOM 2334 N PRO B 101 -3.189 -12.309 1.811 1.00 0.00 N ATOM 2335 CA PRO B 101 -3.424 -13.676 2.287 1.00 0.00 C ATOM 2336 C PRO B 101 -3.589 -14.717 1.177 1.00 0.00 C ATOM 2337 O PRO B 101 -3.652 -15.912 1.456 1.00 0.00 O ATOM 2338 CB PRO B 101 -4.695 -13.550 3.124 1.00 0.00 C ATOM 2339 CG PRO B 101 -5.373 -12.323 2.627 1.00 0.00 C ATOM 2340 CD PRO B 101 -4.283 -11.398 2.195 1.00 0.00 C ATOM 0 HA PRO B 101 -2.562 -14.046 2.842 1.00 0.00 H new ATOM 0 HB2 PRO B 101 -5.332 -14.427 3.006 1.00 0.00 H new ATOM 0 HB3 PRO B 101 -4.460 -13.467 4.185 1.00 0.00 H new ATOM 0 HG2 PRO B 101 -6.040 -12.555 1.797 1.00 0.00 H new ATOM 0 HG3 PRO B 101 -5.983 -11.870 3.409 1.00 0.00 H new ATOM 0 HD2 PRO B 101 -4.596 -10.772 1.359 1.00 0.00 H new ATOM 0 HD3 PRO B 101 -3.983 -10.728 3.000 1.00 0.00 H new ATOM 2348 N LYS B 102 -3.653 -14.270 -0.071 1.00 0.00 N ATOM 2349 CA LYS B 102 -3.789 -15.187 -1.197 1.00 0.00 C ATOM 2350 C LYS B 102 -2.420 -15.712 -1.614 1.00 0.00 C ATOM 2351 O LYS B 102 -2.264 -16.879 -1.971 1.00 0.00 O ATOM 2352 CB LYS B 102 -4.447 -14.495 -2.394 1.00 0.00 C ATOM 2353 CG LYS B 102 -5.962 -14.605 -2.425 1.00 0.00 C ATOM 2354 CD LYS B 102 -6.618 -13.651 -1.445 1.00 0.00 C ATOM 2355 CE LYS B 102 -7.969 -13.182 -1.956 1.00 0.00 C ATOM 2356 NZ LYS B 102 -8.706 -12.394 -0.937 1.00 0.00 N ATOM 0 H LYS B 102 -3.613 -13.284 -0.329 1.00 0.00 H new ATOM 0 HA LYS B 102 -4.421 -16.016 -0.878 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -4.171 -13.441 -2.386 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -4.045 -14.923 -3.312 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -6.321 -14.394 -3.432 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -6.257 -15.628 -2.189 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -6.742 -14.144 -0.481 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -5.969 -12.790 -1.282 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -7.828 -12.576 -2.851 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -8.566 -14.046 -2.248 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -9.566 -11.994 -1.363 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -8.968 -13.012 -0.143 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -8.101 -11.623 -0.590 1.00 0.00 H new ATOM 2370 N PHE B 103 -1.426 -14.839 -1.549 1.00 0.00 N ATOM 2371 CA PHE B 103 -0.070 -15.194 -1.940 1.00 0.00 C ATOM 2372 C PHE B 103 0.788 -15.514 -0.725 1.00 0.00 C ATOM 2373 O PHE B 103 1.727 -16.304 -0.822 1.00 0.00 O ATOM 2374 CB PHE B 103 0.548 -14.065 -2.763 1.00 0.00 C ATOM 2375 CG PHE B 103 -0.170 -13.836 -4.062 1.00 0.00 C ATOM 2376 CD1 PHE B 103 0.180 -14.553 -5.195 1.00 0.00 C ATOM 2377 CD2 PHE B 103 -1.203 -12.918 -4.148 1.00 0.00 C ATOM 2378 CE1 PHE B 103 -0.488 -14.358 -6.389 1.00 0.00 C ATOM 2379 CE2 PHE B 103 -1.873 -12.717 -5.338 1.00 0.00 C ATOM 2380 CZ PHE B 103 -1.516 -13.438 -6.460 1.00 0.00 C ATOM 0 H PHE B 103 -1.534 -13.877 -1.228 1.00 0.00 H new ATOM 0 HA PHE B 103 -0.113 -16.093 -2.555 1.00 0.00 H new ATOM 0 HB2 PHE B 103 0.535 -13.145 -2.178 1.00 0.00 H new ATOM 0 HB3 PHE B 103 1.593 -14.299 -2.966 1.00 0.00 H new ATOM 0 HD1 PHE B 103 0.984 -15.272 -5.144 1.00 0.00 H new ATOM 0 HD2 PHE B 103 -1.488 -12.352 -3.273 1.00 0.00 H new ATOM 0 HE1 PHE B 103 -0.207 -14.924 -7.265 1.00 0.00 H new ATOM 0 HE2 PHE B 103 -2.676 -11.996 -5.391 1.00 0.00 H new ATOM 0 HZ PHE B 103 -2.040 -13.283 -7.392 1.00 0.00 H new