USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=25 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 45 HIS : no HD1:sc= -0.446 K(o=-0.45,f=-2.5!) USER MOD Set 1.2: B 75 THR OG1 : rot 120:sc= 0 USER MOD Set 2.1: B 56 SER OG : rot 140:sc= -0.742 USER MOD Set 2.2: B 64 GLN : amide:sc= -4.81! C(o=-8.6!,f=-10!) USER MOD Set 2.3: B 78 HIS : no HD1:sc= -3.02 X(o=-8.6,f=-8.6) USER MOD Set 3.1: B 17 GLN :FLIP amide:sc= -0.854 F(o=-2.6!,f=-0.94) USER MOD Set 3.2: B 20 GLN :FLIP amide:sc= -0.0852 F(o=-2.7,f=-0.94) USER MOD Set 4.1: B 13 LYS NZ :NH3+ -134:sc= 0.0827! (180deg=-1.76!) USER MOD Set 4.2: B 81 ASN : amide:sc= -0.665 K(o=-0.58,f=-6.7) USER MOD Single : B 14 LYS NZ :NH3+ 173:sc= 1 (180deg=0.908) 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 -116:sc= -0.416 (180deg=-3.23!) USER MOD Single : B 44 SER OG : rot 180:sc= -0.0693 USER MOD Single : B 46 MET CE :methyl -144:sc= -0.519 (180deg=-1.74!) USER MOD Single : B 47 TYR OH : rot 35:sc= 0.813 USER MOD Single : B 51 LYS NZ :NH3+ 174:sc= 2.09 (180deg=1.89) USER MOD Single : B 52 CYS SG : rot 80:sc= -3.02! USER MOD Single : B 53 GLN : amide:sc= -5.61! C(o=-5.6!,f=-12!) USER MOD Single : B 54 LYS NZ :NH3+ 161:sc= 1.13 (180deg=0.941) USER MOD Single : B 60 LYS NZ :NH3+ 137:sc= -0.473 (180deg=-5!) USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 GLN : amide:sc= -4.29! C(o=-4.3!,f=-5.6!) USER MOD Single : B 70 HIS : no HE2:sc= -6.47! C(o=-6.5!,f=-6.5!) USER MOD Single : B 74 THR OG1 : rot 35:sc= 0.005 USER MOD Single : B 76 ASN :FLIP amide:sc= -1.2 F(o=-1.9!,f=-1.2) USER MOD Single : B 80 SER OG : rot 10:sc= -2.58! USER MOD Single : B 83 SER OG : rot 72:sc= 1.2 USER MOD Single : B 84 THR OG1 : rot 69:sc= 1.28 USER MOD Single : B 87 LYS NZ :NH3+ -154:sc= 1.25 (180deg=1.18) USER MOD Single : B 93 LYS NZ :NH3+ -171:sc= 0.266! (180deg=-0.376) USER MOD Single : B 97 GLN :FLIP amide:sc= -2.36 F(o=-3.7!,f=-2.4) USER MOD Single : B 98 GLN : amide:sc= -0.212 X(o=-0.21,f=-0.27) USER MOD Single : B 102 LYS NZ :NH3+ 155:sc= 1.26 (180deg=1.09) USER MOD ----------------------------------------------------------------- ATOM 339 N ASP A 132 4.402 4.824 13.756 1.00 0.00 N ATOM 340 CA ASP A 132 3.032 5.236 14.005 1.00 0.00 C ATOM 341 C ASP A 132 2.215 5.038 12.760 1.00 0.00 C ATOM 342 O ASP A 132 1.979 5.958 11.974 1.00 0.00 O ATOM 343 CB ASP A 132 2.958 6.671 14.462 1.00 0.00 C ATOM 344 CG ASP A 132 1.547 7.106 14.815 1.00 0.00 C ATOM 345 OD1 ASP A 132 0.711 6.240 15.128 1.00 0.00 O ATOM 346 OD2 ASP A 132 1.272 8.326 14.746 1.00 0.00 O ATOM 0 HA ASP A 132 2.628 4.619 14.808 1.00 0.00 H new ATOM 0 HB2 ASP A 132 3.602 6.804 15.331 1.00 0.00 H new ATOM 0 HB3 ASP A 132 3.346 7.318 13.676 1.00 0.00 H new ATOM 351 N TRP A 133 1.850 3.807 12.563 1.00 0.00 N ATOM 352 CA TRP A 133 1.059 3.408 11.425 1.00 0.00 C ATOM 353 C TRP A 133 -0.128 2.585 11.893 1.00 0.00 C ATOM 354 O TRP A 133 0.002 1.769 12.803 1.00 0.00 O ATOM 355 CB TRP A 133 1.883 2.541 10.463 1.00 0.00 C ATOM 356 CG TRP A 133 3.279 3.007 10.141 1.00 0.00 C ATOM 357 CD1 TRP A 133 4.387 2.914 10.929 1.00 0.00 C ATOM 358 CD2 TRP A 133 3.727 3.570 8.905 1.00 0.00 C ATOM 359 NE1 TRP A 133 5.480 3.418 10.269 1.00 0.00 N ATOM 360 CE2 TRP A 133 5.100 3.828 9.031 1.00 0.00 C ATOM 361 CE3 TRP A 133 3.099 3.894 7.713 1.00 0.00 C ATOM 362 CZ2 TRP A 133 5.852 4.393 8.005 1.00 0.00 C ATOM 363 CZ3 TRP A 133 3.845 4.452 6.700 1.00 0.00 C ATOM 364 CH2 TRP A 133 5.207 4.697 6.850 1.00 0.00 C ATOM 0 H TRP A 133 2.092 3.040 13.190 1.00 0.00 H new ATOM 0 HA TRP A 133 0.729 4.312 10.913 1.00 0.00 H new ATOM 0 HB2 TRP A 133 1.950 1.538 10.885 1.00 0.00 H new ATOM 0 HB3 TRP A 133 1.331 2.456 9.527 1.00 0.00 H new ATOM 0 HD1 TRP A 133 4.403 2.503 11.928 1.00 0.00 H new ATOM 0 HE1 TRP A 133 6.425 3.475 10.647 1.00 0.00 H new ATOM 0 HE3 TRP A 133 2.043 3.712 7.581 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 6.909 4.582 8.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 3.363 4.706 5.768 1.00 0.00 H new ATOM 0 HH2 TRP A 133 5.760 5.137 6.033 1.00 0.00 H new ATOM 375 N GLU A 134 -1.277 2.804 11.273 1.00 0.00 N ATOM 376 CA GLU A 134 -2.453 2.023 11.569 1.00 0.00 C ATOM 377 C GLU A 134 -2.174 0.697 10.897 1.00 0.00 C ATOM 378 O GLU A 134 -2.264 0.569 9.675 1.00 0.00 O ATOM 379 CB GLU A 134 -3.718 2.682 11.003 1.00 0.00 C ATOM 380 CG GLU A 134 -3.760 4.194 11.191 1.00 0.00 C ATOM 381 CD GLU A 134 -4.625 4.892 10.158 1.00 0.00 C ATOM 382 OE1 GLU A 134 -5.846 4.658 10.146 1.00 0.00 O ATOM 383 OE2 GLU A 134 -4.075 5.675 9.349 1.00 0.00 O ATOM 0 H GLU A 134 -1.414 3.521 10.560 1.00 0.00 H new ATOM 0 HA GLU A 134 -2.637 1.924 12.639 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -3.790 2.455 9.939 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -4.592 2.241 11.483 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -4.138 4.421 12.188 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -2.746 4.590 11.137 1.00 0.00 H new ATOM 390 N GLU A 135 -1.765 -0.259 11.695 1.00 0.00 N ATOM 391 CA GLU A 135 -1.342 -1.537 11.182 1.00 0.00 C ATOM 392 C GLU A 135 -2.452 -2.356 10.539 1.00 0.00 C ATOM 393 O GLU A 135 -3.393 -2.824 11.179 1.00 0.00 O ATOM 394 CB GLU A 135 -0.604 -2.295 12.279 1.00 0.00 C ATOM 395 CG GLU A 135 -1.296 -2.296 13.625 1.00 0.00 C ATOM 396 CD GLU A 135 -0.308 -2.489 14.757 1.00 0.00 C ATOM 397 OE1 GLU A 135 0.796 -1.900 14.682 1.00 0.00 O ATOM 398 OE2 GLU A 135 -0.613 -3.234 15.703 1.00 0.00 O ATOM 0 H GLU A 135 -1.716 -0.174 12.710 1.00 0.00 H new ATOM 0 HA GLU A 135 -0.659 -1.349 10.354 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -0.464 -3.327 11.957 1.00 0.00 H new ATOM 0 HB3 GLU A 135 0.389 -1.861 12.397 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -1.829 -1.355 13.762 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -2.041 -3.091 13.652 1.00 0.00 H new ATOM 405 N VAL A 136 -2.306 -2.471 9.228 1.00 0.00 N ATOM 406 CA VAL A 136 -3.184 -3.232 8.364 1.00 0.00 C ATOM 407 C VAL A 136 -2.692 -4.665 8.257 1.00 0.00 C ATOM 408 O VAL A 136 -1.499 -4.916 8.130 1.00 0.00 O ATOM 409 CB VAL A 136 -3.199 -2.599 6.972 1.00 0.00 C ATOM 410 CG1 VAL A 136 -4.043 -3.366 5.999 1.00 0.00 C ATOM 411 CG2 VAL A 136 -3.647 -1.176 7.076 1.00 0.00 C ATOM 0 H VAL A 136 -1.544 -2.019 8.722 1.00 0.00 H new ATOM 0 HA VAL A 136 -4.190 -3.228 8.784 1.00 0.00 H new ATOM 0 HB VAL A 136 -2.183 -2.630 6.578 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -4.018 -2.872 5.027 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -3.655 -4.380 5.901 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -5.071 -3.404 6.360 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -3.658 -0.725 6.084 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -4.650 -1.140 7.502 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -2.960 -0.624 7.718 1.00 0.00 H new ATOM 421 N GLU A 137 -3.614 -5.590 8.269 1.00 0.00 N ATOM 422 CA GLU A 137 -3.270 -7.009 8.223 1.00 0.00 C ATOM 423 C GLU A 137 -3.912 -7.721 7.052 1.00 0.00 C ATOM 424 O GLU A 137 -4.905 -7.246 6.509 1.00 0.00 O ATOM 425 CB GLU A 137 -3.680 -7.677 9.521 1.00 0.00 C ATOM 426 CG GLU A 137 -2.957 -7.096 10.709 1.00 0.00 C ATOM 427 CD GLU A 137 -1.585 -7.719 10.918 1.00 0.00 C ATOM 428 OE1 GLU A 137 -1.480 -8.965 10.862 1.00 0.00 O ATOM 429 OE2 GLU A 137 -0.603 -6.971 11.114 1.00 0.00 O ATOM 0 H GLU A 137 -4.615 -5.398 8.310 1.00 0.00 H new ATOM 0 HA GLU A 137 -2.190 -7.079 8.091 1.00 0.00 H new ATOM 0 HB2 GLU A 137 -4.755 -7.566 9.662 1.00 0.00 H new ATOM 0 HB3 GLU A 137 -3.475 -8.746 9.459 1.00 0.00 H new ATOM 0 HG2 GLU A 137 -2.847 -6.020 10.573 1.00 0.00 H new ATOM 0 HG3 GLU A 137 -3.560 -7.244 11.605 1.00 0.00 H new ATOM 436 N GLU A 138 -3.286 -8.821 6.626 1.00 0.00 N ATOM 437 CA GLU A 138 -3.791 -9.637 5.525 1.00 0.00 C ATOM 438 C GLU A 138 -5.302 -9.835 5.666 1.00 0.00 C ATOM 439 O GLU A 138 -5.781 -10.506 6.579 1.00 0.00 O ATOM 440 CB GLU A 138 -3.059 -10.985 5.489 1.00 0.00 C ATOM 441 CG GLU A 138 -2.728 -11.550 6.866 1.00 0.00 C ATOM 442 CD GLU A 138 -1.368 -12.223 6.908 1.00 0.00 C ATOM 443 OE1 GLU A 138 -0.964 -12.814 5.886 1.00 0.00 O ATOM 444 OE2 GLU A 138 -0.691 -12.141 7.958 1.00 0.00 O ATOM 0 H GLU A 138 -2.418 -9.168 7.034 1.00 0.00 H new ATOM 0 HA GLU A 138 -3.603 -9.122 4.583 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -3.674 -11.706 4.950 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -2.134 -10.869 4.924 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -2.754 -10.745 7.601 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -3.495 -12.270 7.154 1.00 0.00 H new ATOM 451 N LEU A 139 -6.039 -9.231 4.751 1.00 0.00 N ATOM 452 CA LEU A 139 -7.489 -9.262 4.774 1.00 0.00 C ATOM 453 C LEU A 139 -8.053 -10.185 3.701 1.00 0.00 C ATOM 454 O LEU A 139 -7.658 -10.131 2.539 1.00 0.00 O ATOM 455 CB LEU A 139 -8.008 -7.837 4.590 1.00 0.00 C ATOM 456 CG LEU A 139 -9.345 -7.688 3.868 1.00 0.00 C ATOM 457 CD1 LEU A 139 -10.502 -8.053 4.786 1.00 0.00 C ATOM 458 CD2 LEU A 139 -9.518 -6.273 3.344 1.00 0.00 C ATOM 0 H LEU A 139 -5.647 -8.704 3.970 1.00 0.00 H new ATOM 0 HA LEU A 139 -7.820 -9.660 5.733 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -8.098 -7.377 5.574 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -7.258 -7.269 4.040 1.00 0.00 H new ATOM 0 HG LEU A 139 -9.347 -8.375 3.022 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -11.443 -7.939 4.248 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -10.394 -9.087 5.113 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -10.498 -7.395 5.655 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -10.477 -6.189 2.833 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -9.488 -5.570 4.177 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -8.713 -6.043 2.646 1.00 0.00 H new ATOM 815 N VAL B 8 -0.339 -5.278 -13.633 1.00 0.00 N ATOM 816 CA VAL B 8 -0.288 -4.010 -12.929 1.00 0.00 C ATOM 817 C VAL B 8 -1.691 -3.486 -12.665 1.00 0.00 C ATOM 818 O VAL B 8 -2.322 -2.878 -13.528 1.00 0.00 O ATOM 819 CB VAL B 8 0.523 -2.959 -13.713 1.00 0.00 C ATOM 820 CG1 VAL B 8 0.957 -1.829 -12.795 1.00 0.00 C ATOM 821 CG2 VAL B 8 1.729 -3.602 -14.386 1.00 0.00 C ATOM 0 HA VAL B 8 0.213 -4.187 -11.977 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.116 -2.542 -14.491 1.00 0.00 H new ATOM 0 HG11 VAL B 8 1.528 -1.096 -13.365 1.00 0.00 H new ATOM 0 HG12 VAL B 8 0.077 -1.350 -12.367 1.00 0.00 H new ATOM 0 HG13 VAL B 8 1.578 -2.229 -11.994 1.00 0.00 H new ATOM 0 HG21 VAL B 8 2.288 -2.843 -14.934 1.00 0.00 H new ATOM 0 HG22 VAL B 8 2.372 -4.050 -13.629 1.00 0.00 H new ATOM 0 HG23 VAL B 8 1.391 -4.374 -15.078 1.00 0.00 H new ATOM 831 N LEU B 9 -2.162 -3.742 -11.460 1.00 0.00 N ATOM 832 CA LEU B 9 -3.486 -3.337 -11.032 1.00 0.00 C ATOM 833 C LEU B 9 -3.526 -1.858 -10.681 1.00 0.00 C ATOM 834 O LEU B 9 -4.458 -1.142 -11.043 1.00 0.00 O ATOM 835 CB LEU B 9 -3.891 -4.150 -9.804 1.00 0.00 C ATOM 836 CG LEU B 9 -3.774 -5.669 -9.952 1.00 0.00 C ATOM 837 CD1 LEU B 9 -4.038 -6.355 -8.621 1.00 0.00 C ATOM 838 CD2 LEU B 9 -4.732 -6.184 -11.014 1.00 0.00 C ATOM 0 H LEU B 9 -1.632 -4.241 -10.745 1.00 0.00 H new ATOM 0 HA LEU B 9 -4.178 -3.516 -11.855 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -3.274 -3.836 -8.962 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -4.923 -3.905 -9.552 1.00 0.00 H new ATOM 0 HG LEU B 9 -2.757 -5.903 -10.268 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -3.951 -7.434 -8.744 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -3.310 -6.014 -7.885 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -5.043 -6.109 -8.278 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -4.631 -7.266 -11.101 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -5.755 -5.937 -10.732 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -4.498 -5.719 -11.972 1.00 0.00 H new ATOM 850 N LEU B 10 -2.510 -1.409 -9.965 1.00 0.00 N ATOM 851 CA LEU B 10 -2.446 -0.020 -9.539 1.00 0.00 C ATOM 852 C LEU B 10 -1.068 0.597 -9.755 1.00 0.00 C ATOM 853 O LEU B 10 -0.045 -0.053 -9.554 1.00 0.00 O ATOM 854 CB LEU B 10 -2.833 0.085 -8.067 1.00 0.00 C ATOM 855 CG LEU B 10 -3.333 1.462 -7.632 1.00 0.00 C ATOM 856 CD1 LEU B 10 -4.679 1.771 -8.266 1.00 0.00 C ATOM 857 CD2 LEU B 10 -3.426 1.544 -6.118 1.00 0.00 C ATOM 0 H LEU B 10 -1.721 -1.982 -9.667 1.00 0.00 H new ATOM 0 HA LEU B 10 -3.150 0.540 -10.155 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -3.609 -0.651 -7.857 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -1.968 -0.181 -7.459 1.00 0.00 H new ATOM 0 HG LEU B 10 -2.615 2.208 -7.973 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -5.016 2.756 -7.943 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -4.581 1.759 -9.352 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -5.407 1.020 -7.959 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -3.784 2.532 -5.828 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -4.120 0.786 -5.754 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -2.441 1.373 -5.683 1.00 0.00 H new ATOM 869 N ILE B 11 -1.061 1.857 -10.177 1.00 0.00 N ATOM 870 CA ILE B 11 0.173 2.598 -10.394 1.00 0.00 C ATOM 871 C ILE B 11 0.140 3.879 -9.582 1.00 0.00 C ATOM 872 O ILE B 11 -0.600 4.811 -9.898 1.00 0.00 O ATOM 873 CB ILE B 11 0.406 2.952 -11.882 1.00 0.00 C ATOM 874 CG1 ILE B 11 0.541 1.680 -12.723 1.00 0.00 C ATOM 875 CG2 ILE B 11 1.650 3.825 -12.030 1.00 0.00 C ATOM 876 CD1 ILE B 11 0.612 1.940 -14.213 1.00 0.00 C ATOM 0 H ILE B 11 -1.907 2.390 -10.377 1.00 0.00 H new ATOM 0 HA ILE B 11 0.994 1.954 -10.077 1.00 0.00 H new ATOM 0 HB ILE B 11 -0.457 3.512 -12.244 1.00 0.00 H new ATOM 0 HG12 ILE B 11 1.438 1.144 -12.414 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -0.307 1.027 -12.517 1.00 0.00 H new ATOM 0 HG21 ILE B 11 1.802 4.066 -13.082 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.518 4.746 -11.462 1.00 0.00 H new ATOM 0 HG23 ILE B 11 2.519 3.287 -11.652 1.00 0.00 H new ATOM 0 HD11 ILE B 11 0.707 0.993 -14.744 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -0.296 2.448 -14.537 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.476 2.567 -14.432 1.00 0.00 H new ATOM 888 N VAL B 12 0.933 3.910 -8.534 1.00 0.00 N ATOM 889 CA VAL B 12 1.005 5.068 -7.670 1.00 0.00 C ATOM 890 C VAL B 12 2.198 5.927 -8.054 1.00 0.00 C ATOM 891 O VAL B 12 3.226 5.414 -8.493 1.00 0.00 O ATOM 892 CB VAL B 12 1.111 4.654 -6.188 1.00 0.00 C ATOM 893 CG1 VAL B 12 0.872 5.845 -5.275 1.00 0.00 C ATOM 894 CG2 VAL B 12 0.127 3.538 -5.880 1.00 0.00 C ATOM 0 H VAL B 12 1.542 3.140 -8.258 1.00 0.00 H new ATOM 0 HA VAL B 12 0.087 5.643 -7.796 1.00 0.00 H new ATOM 0 HB VAL B 12 2.121 4.287 -6.006 1.00 0.00 H new ATOM 0 HG11 VAL B 12 0.952 5.528 -4.235 1.00 0.00 H new ATOM 0 HG12 VAL B 12 1.617 6.614 -5.478 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -0.124 6.248 -5.456 1.00 0.00 H new ATOM 0 HG21 VAL B 12 0.213 3.256 -4.831 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.888 3.882 -6.081 1.00 0.00 H new ATOM 0 HG23 VAL B 12 0.349 2.674 -6.507 1.00 0.00 H new ATOM 904 N LYS B 13 2.049 7.228 -7.904 1.00 0.00 N ATOM 905 CA LYS B 13 3.109 8.168 -8.244 1.00 0.00 C ATOM 906 C LYS B 13 3.809 8.666 -6.991 1.00 0.00 C ATOM 907 O LYS B 13 3.356 8.383 -5.885 1.00 0.00 O ATOM 908 CB LYS B 13 2.541 9.347 -9.032 1.00 0.00 C ATOM 909 CG LYS B 13 1.984 8.954 -10.389 1.00 0.00 C ATOM 910 CD LYS B 13 0.518 9.329 -10.525 1.00 0.00 C ATOM 911 CE LYS B 13 -0.370 8.482 -9.624 1.00 0.00 C ATOM 912 NZ LYS B 13 -0.833 9.229 -8.421 1.00 0.00 N ATOM 0 H LYS B 13 1.199 7.665 -7.547 1.00 0.00 H new ATOM 0 HA LYS B 13 3.839 7.648 -8.864 1.00 0.00 H new ATOM 0 HB2 LYS B 13 1.752 9.819 -8.447 1.00 0.00 H new ATOM 0 HB3 LYS B 13 3.324 10.092 -9.171 1.00 0.00 H new ATOM 0 HG2 LYS B 13 2.559 9.444 -11.174 1.00 0.00 H new ATOM 0 HG3 LYS B 13 2.100 7.880 -10.533 1.00 0.00 H new ATOM 0 HD2 LYS B 13 0.388 10.382 -10.276 1.00 0.00 H new ATOM 0 HD3 LYS B 13 0.206 9.205 -11.562 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -1.235 8.138 -10.190 1.00 0.00 H new ATOM 0 HE3 LYS B 13 0.178 7.594 -9.309 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -0.714 8.634 -7.576 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -0.271 10.098 -8.314 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -1.837 9.477 -8.532 1.00 0.00 H new ATOM 926 N LYS B 14 4.859 9.472 -7.200 1.00 0.00 N ATOM 927 CA LYS B 14 5.702 10.041 -6.132 1.00 0.00 C ATOM 928 C LYS B 14 5.571 9.357 -4.773 1.00 0.00 C ATOM 929 O LYS B 14 5.076 9.939 -3.803 1.00 0.00 O ATOM 930 CB LYS B 14 5.452 11.545 -5.960 1.00 0.00 C ATOM 931 CG LYS B 14 6.381 12.429 -6.780 1.00 0.00 C ATOM 932 CD LYS B 14 5.919 12.602 -8.213 1.00 0.00 C ATOM 933 CE LYS B 14 6.908 13.451 -9.002 1.00 0.00 C ATOM 934 NZ LYS B 14 8.227 12.773 -9.164 1.00 0.00 N ATOM 0 H LYS B 14 5.155 9.754 -8.135 1.00 0.00 H new ATOM 0 HA LYS B 14 6.720 9.859 -6.477 1.00 0.00 H new ATOM 0 HB2 LYS B 14 4.421 11.765 -6.237 1.00 0.00 H new ATOM 0 HB3 LYS B 14 5.560 11.802 -4.906 1.00 0.00 H new ATOM 0 HG2 LYS B 14 6.454 13.408 -6.307 1.00 0.00 H new ATOM 0 HG3 LYS B 14 7.382 11.998 -6.776 1.00 0.00 H new ATOM 0 HD2 LYS B 14 5.813 11.626 -8.686 1.00 0.00 H new ATOM 0 HD3 LYS B 14 4.936 13.072 -8.229 1.00 0.00 H new ATOM 0 HE2 LYS B 14 6.492 13.672 -9.985 1.00 0.00 H new ATOM 0 HE3 LYS B 14 7.051 14.405 -8.495 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 8.828 13.331 -9.804 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 8.691 12.691 -8.237 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 8.083 11.824 -9.564 1.00 0.00 H new ATOM 948 N VAL B 15 6.008 8.111 -4.727 1.00 0.00 N ATOM 949 CA VAL B 15 6.031 7.348 -3.498 1.00 0.00 C ATOM 950 C VAL B 15 7.459 7.391 -2.987 1.00 0.00 C ATOM 951 O VAL B 15 8.342 6.747 -3.545 1.00 0.00 O ATOM 952 CB VAL B 15 5.592 5.884 -3.708 1.00 0.00 C ATOM 953 CG1 VAL B 15 5.594 5.132 -2.391 1.00 0.00 C ATOM 954 CG2 VAL B 15 4.221 5.820 -4.350 1.00 0.00 C ATOM 0 H VAL B 15 6.356 7.603 -5.540 1.00 0.00 H new ATOM 0 HA VAL B 15 5.328 7.780 -2.786 1.00 0.00 H new ATOM 0 HB VAL B 15 6.307 5.409 -4.379 1.00 0.00 H new ATOM 0 HG11 VAL B 15 5.282 4.101 -2.560 1.00 0.00 H new ATOM 0 HG12 VAL B 15 6.598 5.142 -1.968 1.00 0.00 H new ATOM 0 HG13 VAL B 15 4.903 5.611 -1.697 1.00 0.00 H new ATOM 0 HG21 VAL B 15 3.932 4.778 -4.488 1.00 0.00 H new ATOM 0 HG22 VAL B 15 3.494 6.315 -3.706 1.00 0.00 H new ATOM 0 HG23 VAL B 15 4.249 6.320 -5.318 1.00 0.00 H new ATOM 964 N ARG B 16 7.686 8.169 -1.950 1.00 0.00 N ATOM 965 CA ARG B 16 9.019 8.345 -1.412 1.00 0.00 C ATOM 966 C ARG B 16 9.361 7.336 -0.336 1.00 0.00 C ATOM 967 O ARG B 16 8.636 7.172 0.634 1.00 0.00 O ATOM 968 CB ARG B 16 9.181 9.755 -0.840 1.00 0.00 C ATOM 969 CG ARG B 16 8.900 10.855 -1.846 1.00 0.00 C ATOM 970 CD ARG B 16 9.740 12.091 -1.577 1.00 0.00 C ATOM 971 NE ARG B 16 10.599 12.420 -2.715 1.00 0.00 N ATOM 972 CZ ARG B 16 11.522 13.379 -2.711 1.00 0.00 C ATOM 973 NH1 ARG B 16 11.717 14.120 -1.624 1.00 0.00 N ATOM 974 NH2 ARG B 16 12.250 13.591 -3.799 1.00 0.00 N ATOM 0 H ARG B 16 6.960 8.692 -1.460 1.00 0.00 H new ATOM 0 HA ARG B 16 9.706 8.189 -2.244 1.00 0.00 H new ATOM 0 HB2 ARG B 16 8.510 9.872 0.011 1.00 0.00 H new ATOM 0 HB3 ARG B 16 10.197 9.870 -0.463 1.00 0.00 H new ATOM 0 HG2 ARG B 16 9.104 10.489 -2.852 1.00 0.00 H new ATOM 0 HG3 ARG B 16 7.843 11.119 -1.811 1.00 0.00 H new ATOM 0 HD2 ARG B 16 9.086 12.935 -1.359 1.00 0.00 H new ATOM 0 HD3 ARG B 16 10.355 11.927 -0.692 1.00 0.00 H new ATOM 0 HE ARG B 16 10.482 11.877 -3.570 1.00 0.00 H new ATOM 0 HH11 ARG B 16 11.158 13.955 -0.787 1.00 0.00 H new ATOM 0 HH12 ARG B 16 12.426 14.853 -1.627 1.00 0.00 H new ATOM 0 HH21 ARG B 16 12.101 13.021 -4.632 1.00 0.00 H new ATOM 0 HH22 ARG B 16 12.959 14.324 -3.803 1.00 0.00 H new ATOM 988 N GLN B 17 10.459 6.641 -0.535 1.00 0.00 N ATOM 989 CA GLN B 17 10.947 5.714 0.455 1.00 0.00 C ATOM 990 C GLN B 17 12.244 6.289 0.994 1.00 0.00 C ATOM 991 O GLN B 17 13.265 6.306 0.308 1.00 0.00 O ATOM 992 CB GLN B 17 11.125 4.290 -0.106 1.00 0.00 C ATOM 993 CG GLN B 17 11.974 4.188 -1.363 1.00 0.00 C ATOM 994 CD GLN B 17 13.396 3.725 -1.087 1.00 0.00 C ATOM 995 OE1 GLN B 17 13.588 2.973 -0.008 1.00 0.00 O flip ATOM 996 NE2 GLN B 17 14.316 4.044 -1.837 1.00 0.00 N flip ATOM 0 H GLN B 17 11.031 6.702 -1.377 1.00 0.00 H new ATOM 0 HA GLN B 17 10.218 5.601 1.258 1.00 0.00 H new ATOM 0 HB2 GLN B 17 11.574 3.666 0.667 1.00 0.00 H new ATOM 0 HB3 GLN B 17 10.140 3.875 -0.318 1.00 0.00 H new ATOM 0 HG2 GLN B 17 11.501 3.494 -2.058 1.00 0.00 H new ATOM 0 HG3 GLN B 17 12.004 5.161 -1.854 1.00 0.00 H new ATOM 0 HE21 GLN B 17 14.129 4.623 -2.656 1.00 0.00 H new ATOM 0 HE22 GLN B 17 15.266 3.730 -1.641 1.00 0.00 H new ATOM 1005 N LYS B 18 12.160 6.853 2.188 1.00 0.00 N ATOM 1006 CA LYS B 18 13.306 7.467 2.839 1.00 0.00 C ATOM 1007 C LYS B 18 13.785 8.690 2.050 1.00 0.00 C ATOM 1008 O LYS B 18 14.973 8.846 1.769 1.00 0.00 O ATOM 1009 CB LYS B 18 14.429 6.445 3.042 1.00 0.00 C ATOM 1010 CG LYS B 18 14.002 5.260 3.895 1.00 0.00 C ATOM 1011 CD LYS B 18 13.510 5.707 5.263 1.00 0.00 C ATOM 1012 CE LYS B 18 12.543 4.702 5.873 1.00 0.00 C ATOM 1013 NZ LYS B 18 12.713 4.594 7.348 1.00 0.00 N ATOM 0 H LYS B 18 11.298 6.898 2.732 1.00 0.00 H new ATOM 0 HA LYS B 18 13.000 7.813 3.826 1.00 0.00 H new ATOM 0 HB2 LYS B 18 14.766 6.084 2.070 1.00 0.00 H new ATOM 0 HB3 LYS B 18 15.281 6.937 3.512 1.00 0.00 H new ATOM 0 HG2 LYS B 18 13.212 4.709 3.385 1.00 0.00 H new ATOM 0 HG3 LYS B 18 14.842 4.575 4.015 1.00 0.00 H new ATOM 0 HD2 LYS B 18 14.362 5.842 5.929 1.00 0.00 H new ATOM 0 HD3 LYS B 18 13.019 6.676 5.174 1.00 0.00 H new ATOM 0 HE2 LYS B 18 11.519 4.999 5.646 1.00 0.00 H new ATOM 0 HE3 LYS B 18 12.699 3.724 5.417 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 12.037 3.900 7.726 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 13.682 4.286 7.564 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 12.539 5.521 7.786 1.00 0.00 H new ATOM 1027 N LYS B 19 12.813 9.532 1.684 1.00 0.00 N ATOM 1028 CA LYS B 19 13.037 10.792 0.963 1.00 0.00 C ATOM 1029 C LYS B 19 13.316 10.605 -0.531 1.00 0.00 C ATOM 1030 O LYS B 19 13.677 11.563 -1.216 1.00 0.00 O ATOM 1031 CB LYS B 19 14.150 11.621 1.622 1.00 0.00 C ATOM 1032 CG LYS B 19 13.636 12.653 2.625 1.00 0.00 C ATOM 1033 CD LYS B 19 12.788 12.014 3.718 1.00 0.00 C ATOM 1034 CE LYS B 19 13.614 11.116 4.617 1.00 0.00 C ATOM 1035 NZ LYS B 19 14.274 11.861 5.723 1.00 0.00 N ATOM 0 H LYS B 19 11.829 9.354 1.884 1.00 0.00 H new ATOM 0 HA LYS B 19 12.098 11.340 1.033 1.00 0.00 H new ATOM 0 HB2 LYS B 19 14.841 10.947 2.129 1.00 0.00 H new ATOM 0 HB3 LYS B 19 14.717 12.134 0.845 1.00 0.00 H new ATOM 0 HG2 LYS B 19 14.482 13.170 3.078 1.00 0.00 H new ATOM 0 HG3 LYS B 19 13.046 13.405 2.101 1.00 0.00 H new ATOM 0 HD2 LYS B 19 12.318 12.794 4.316 1.00 0.00 H new ATOM 0 HD3 LYS B 19 11.985 11.434 3.263 1.00 0.00 H new ATOM 0 HE2 LYS B 19 12.973 10.342 5.038 1.00 0.00 H new ATOM 0 HE3 LYS B 19 14.374 10.611 4.020 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 14.825 11.200 6.307 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 14.908 12.583 5.325 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 13.551 12.322 6.311 1.00 0.00 H new ATOM 1049 N GLN B 20 13.130 9.397 -1.044 1.00 0.00 N ATOM 1050 CA GLN B 20 13.344 9.142 -2.468 1.00 0.00 C ATOM 1051 C GLN B 20 12.020 8.759 -3.126 1.00 0.00 C ATOM 1052 O GLN B 20 11.446 7.726 -2.795 1.00 0.00 O ATOM 1053 CB GLN B 20 14.375 8.028 -2.663 1.00 0.00 C ATOM 1054 CG GLN B 20 14.627 7.687 -4.123 1.00 0.00 C ATOM 1055 CD GLN B 20 15.761 6.699 -4.318 1.00 0.00 C ATOM 1056 OE1 GLN B 20 15.906 5.763 -3.394 1.00 0.00 O flip ATOM 1057 NE2 GLN B 20 16.493 6.767 -5.304 1.00 0.00 N flip ATOM 0 H GLN B 20 12.834 8.583 -0.505 1.00 0.00 H new ATOM 0 HA GLN B 20 13.727 10.049 -2.936 1.00 0.00 H new ATOM 0 HB2 GLN B 20 15.315 8.328 -2.200 1.00 0.00 H new ATOM 0 HB3 GLN B 20 14.035 7.133 -2.142 1.00 0.00 H new ATOM 0 HG2 GLN B 20 13.716 7.274 -4.556 1.00 0.00 H new ATOM 0 HG3 GLN B 20 14.853 8.603 -4.670 1.00 0.00 H new ATOM 0 HE21 GLN B 20 16.350 7.503 -5.995 1.00 0.00 H new ATOM 0 HE22 GLN B 20 17.243 6.087 -5.430 1.00 0.00 H new ATOM 1066 N ASP B 21 11.546 9.571 -4.072 1.00 0.00 N ATOM 1067 CA ASP B 21 10.265 9.299 -4.726 1.00 0.00 C ATOM 1068 C ASP B 21 10.393 8.336 -5.876 1.00 0.00 C ATOM 1069 O ASP B 21 11.434 8.231 -6.522 1.00 0.00 O ATOM 1070 CB ASP B 21 9.559 10.572 -5.211 1.00 0.00 C ATOM 1071 CG ASP B 21 10.408 11.479 -6.079 1.00 0.00 C ATOM 1072 OD1 ASP B 21 11.517 11.851 -5.639 1.00 0.00 O ATOM 1073 OD2 ASP B 21 9.933 11.872 -7.169 1.00 0.00 O ATOM 0 H ASP B 21 12.022 10.412 -4.399 1.00 0.00 H new ATOM 0 HA ASP B 21 9.653 8.839 -3.951 1.00 0.00 H new ATOM 0 HB2 ASP B 21 8.669 10.286 -5.771 1.00 0.00 H new ATOM 0 HB3 ASP B 21 9.221 11.137 -4.342 1.00 0.00 H new ATOM 1078 N GLY B 22 9.304 7.633 -6.114 1.00 0.00 N ATOM 1079 CA GLY B 22 9.244 6.677 -7.176 1.00 0.00 C ATOM 1080 C GLY B 22 7.826 6.292 -7.495 1.00 0.00 C ATOM 1081 O GLY B 22 6.887 6.761 -6.854 1.00 0.00 O ATOM 0 H GLY B 22 8.444 7.716 -5.573 1.00 0.00 H new ATOM 0 HA2 GLY B 22 9.718 7.091 -8.066 1.00 0.00 H new ATOM 0 HA3 GLY B 22 9.809 5.788 -6.898 1.00 0.00 H new ATOM 1085 N ALA B 23 7.675 5.429 -8.469 1.00 0.00 N ATOM 1086 CA ALA B 23 6.373 4.963 -8.884 1.00 0.00 C ATOM 1087 C ALA B 23 6.118 3.617 -8.238 1.00 0.00 C ATOM 1088 O ALA B 23 6.991 2.745 -8.242 1.00 0.00 O ATOM 1089 CB ALA B 23 6.307 4.863 -10.395 1.00 0.00 C ATOM 0 H ALA B 23 8.451 5.029 -8.997 1.00 0.00 H new ATOM 0 HA ALA B 23 5.604 5.668 -8.568 1.00 0.00 H new ATOM 0 HB1 ALA B 23 5.320 4.510 -10.694 1.00 0.00 H new ATOM 0 HB2 ALA B 23 6.490 5.844 -10.833 1.00 0.00 H new ATOM 0 HB3 ALA B 23 7.064 4.162 -10.747 1.00 0.00 H new ATOM 1095 N LEU B 24 4.936 3.445 -7.687 1.00 0.00 N ATOM 1096 CA LEU B 24 4.600 2.210 -7.016 1.00 0.00 C ATOM 1097 C LEU B 24 3.713 1.367 -7.929 1.00 0.00 C ATOM 1098 O LEU B 24 2.563 1.720 -8.193 1.00 0.00 O ATOM 1099 CB LEU B 24 3.894 2.522 -5.696 1.00 0.00 C ATOM 1100 CG LEU B 24 4.141 1.525 -4.564 1.00 0.00 C ATOM 1101 CD1 LEU B 24 2.986 1.537 -3.576 1.00 0.00 C ATOM 1102 CD2 LEU B 24 4.387 0.126 -5.099 1.00 0.00 C ATOM 0 H LEU B 24 4.193 4.144 -7.691 1.00 0.00 H new ATOM 0 HA LEU B 24 5.505 1.644 -6.794 1.00 0.00 H new ATOM 0 HB2 LEU B 24 4.209 3.510 -5.361 1.00 0.00 H new ATOM 0 HB3 LEU B 24 2.821 2.575 -5.882 1.00 0.00 H new ATOM 0 HG LEU B 24 5.043 1.836 -4.038 1.00 0.00 H new ATOM 0 HD11 LEU B 24 3.182 0.820 -2.778 1.00 0.00 H new ATOM 0 HD12 LEU B 24 2.882 2.535 -3.150 1.00 0.00 H new ATOM 0 HD13 LEU B 24 2.064 1.264 -4.090 1.00 0.00 H new ATOM 0 HD21 LEU B 24 4.559 -0.557 -4.267 1.00 0.00 H new ATOM 0 HD22 LEU B 24 3.517 -0.205 -5.666 1.00 0.00 H new ATOM 0 HD23 LEU B 24 5.262 0.134 -5.749 1.00 0.00 H new ATOM 1114 N TYR B 25 4.258 0.261 -8.410 1.00 0.00 N ATOM 1115 CA TYR B 25 3.537 -0.626 -9.309 1.00 0.00 C ATOM 1116 C TYR B 25 2.953 -1.815 -8.558 1.00 0.00 C ATOM 1117 O TYR B 25 3.683 -2.697 -8.099 1.00 0.00 O ATOM 1118 CB TYR B 25 4.467 -1.133 -10.412 1.00 0.00 C ATOM 1119 CG TYR B 25 4.978 -0.053 -11.335 1.00 0.00 C ATOM 1120 CD1 TYR B 25 6.109 0.683 -11.011 1.00 0.00 C ATOM 1121 CD2 TYR B 25 4.337 0.222 -12.536 1.00 0.00 C ATOM 1122 CE1 TYR B 25 6.586 1.663 -11.855 1.00 0.00 C ATOM 1123 CE2 TYR B 25 4.810 1.200 -13.389 1.00 0.00 C ATOM 1124 CZ TYR B 25 5.935 1.919 -13.043 1.00 0.00 C ATOM 1125 OH TYR B 25 6.416 2.894 -13.890 1.00 0.00 O ATOM 0 H TYR B 25 5.206 -0.046 -8.190 1.00 0.00 H new ATOM 0 HA TYR B 25 2.720 -0.056 -9.751 1.00 0.00 H new ATOM 0 HB2 TYR B 25 5.318 -1.635 -9.952 1.00 0.00 H new ATOM 0 HB3 TYR B 25 3.938 -1.880 -11.003 1.00 0.00 H new ATOM 0 HD1 TYR B 25 6.624 0.485 -10.083 1.00 0.00 H new ATOM 0 HD2 TYR B 25 3.454 -0.338 -12.807 1.00 0.00 H new ATOM 0 HE1 TYR B 25 7.466 2.228 -11.587 1.00 0.00 H new ATOM 0 HE2 TYR B 25 4.302 1.400 -14.321 1.00 0.00 H new ATOM 0 HH TYR B 25 5.844 2.949 -14.684 1.00 0.00 H new ATOM 1135 N LEU B 26 1.641 -1.822 -8.418 1.00 0.00 N ATOM 1136 CA LEU B 26 0.956 -2.908 -7.749 1.00 0.00 C ATOM 1137 C LEU B 26 0.535 -3.967 -8.742 1.00 0.00 C ATOM 1138 O LEU B 26 -0.469 -3.810 -9.431 1.00 0.00 O ATOM 1139 CB LEU B 26 -0.282 -2.398 -7.022 1.00 0.00 C ATOM 1140 CG LEU B 26 -0.010 -1.764 -5.671 1.00 0.00 C ATOM 1141 CD1 LEU B 26 -1.301 -1.300 -5.034 1.00 0.00 C ATOM 1142 CD2 LEU B 26 0.679 -2.751 -4.764 1.00 0.00 C ATOM 0 H LEU B 26 1.027 -1.083 -8.761 1.00 0.00 H new ATOM 0 HA LEU B 26 1.650 -3.340 -7.028 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -0.783 -1.667 -7.656 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -0.974 -3.229 -6.885 1.00 0.00 H new ATOM 0 HG LEU B 26 0.639 -0.901 -5.820 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -1.087 -0.848 -4.066 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -1.782 -0.565 -5.680 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -1.966 -2.153 -4.897 1.00 0.00 H new ATOM 0 HD21 LEU B 26 0.869 -2.285 -3.797 1.00 0.00 H new ATOM 0 HD22 LEU B 26 0.042 -3.625 -4.627 1.00 0.00 H new ATOM 0 HD23 LEU B 26 1.624 -3.058 -5.211 1.00 0.00 H new ATOM 1154 N MET B 27 1.303 -5.032 -8.823 1.00 0.00 N ATOM 1155 CA MET B 27 0.968 -6.122 -9.716 1.00 0.00 C ATOM 1156 C MET B 27 0.094 -7.110 -8.964 1.00 0.00 C ATOM 1157 O MET B 27 -0.263 -6.870 -7.806 1.00 0.00 O ATOM 1158 CB MET B 27 2.221 -6.802 -10.268 1.00 0.00 C ATOM 1159 CG MET B 27 2.752 -6.146 -11.532 1.00 0.00 C ATOM 1160 SD MET B 27 3.475 -4.523 -11.229 1.00 0.00 S ATOM 1161 CE MET B 27 4.980 -4.997 -10.387 1.00 0.00 C ATOM 0 H MET B 27 2.159 -5.167 -8.285 1.00 0.00 H new ATOM 0 HA MET B 27 0.424 -5.730 -10.575 1.00 0.00 H new ATOM 0 HB2 MET B 27 2.999 -6.789 -9.505 1.00 0.00 H new ATOM 0 HB3 MET B 27 1.997 -7.848 -10.476 1.00 0.00 H new ATOM 0 HG2 MET B 27 3.503 -6.794 -11.984 1.00 0.00 H new ATOM 0 HG3 MET B 27 1.940 -6.048 -12.253 1.00 0.00 H new ATOM 0 HE1 MET B 27 4.961 -4.615 -9.366 1.00 0.00 H new ATOM 0 HE2 MET B 27 5.059 -6.084 -10.367 1.00 0.00 H new ATOM 0 HE3 MET B 27 5.838 -4.581 -10.914 1.00 0.00 H new ATOM 1171 N ALA B 28 -0.262 -8.203 -9.603 1.00 0.00 N ATOM 1172 CA ALA B 28 -1.108 -9.192 -8.966 1.00 0.00 C ATOM 1173 C ALA B 28 -0.301 -10.086 -8.035 1.00 0.00 C ATOM 1174 O ALA B 28 -0.676 -10.301 -6.885 1.00 0.00 O ATOM 1175 CB ALA B 28 -1.827 -10.027 -10.016 1.00 0.00 C ATOM 0 H ALA B 28 0.018 -8.430 -10.557 1.00 0.00 H new ATOM 0 HA ALA B 28 -1.851 -8.667 -8.366 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -2.459 -10.766 -9.523 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -2.444 -9.378 -10.637 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -1.093 -10.536 -10.641 1.00 0.00 H new ATOM 1181 N GLU B 29 0.819 -10.582 -8.535 1.00 0.00 N ATOM 1182 CA GLU B 29 1.671 -11.482 -7.771 1.00 0.00 C ATOM 1183 C GLU B 29 2.598 -10.748 -6.803 1.00 0.00 C ATOM 1184 O GLU B 29 2.887 -11.256 -5.714 1.00 0.00 O ATOM 1185 CB GLU B 29 2.497 -12.348 -8.721 1.00 0.00 C ATOM 1186 CG GLU B 29 1.710 -12.872 -9.914 1.00 0.00 C ATOM 1187 CD GLU B 29 1.846 -11.983 -11.137 1.00 0.00 C ATOM 1188 OE1 GLU B 29 1.133 -10.959 -11.218 1.00 0.00 O ATOM 1189 OE2 GLU B 29 2.672 -12.306 -12.016 1.00 0.00 O ATOM 0 H GLU B 29 1.162 -10.375 -9.473 1.00 0.00 H new ATOM 0 HA GLU B 29 1.011 -12.106 -7.169 1.00 0.00 H new ATOM 0 HB2 GLU B 29 3.345 -11.767 -9.084 1.00 0.00 H new ATOM 0 HB3 GLU B 29 2.904 -13.193 -8.166 1.00 0.00 H new ATOM 0 HG2 GLU B 29 2.054 -13.877 -10.159 1.00 0.00 H new ATOM 0 HG3 GLU B 29 0.657 -12.953 -9.643 1.00 0.00 H new ATOM 1196 N ARG B 30 3.071 -9.561 -7.176 1.00 0.00 N ATOM 1197 CA ARG B 30 3.979 -8.826 -6.303 1.00 0.00 C ATOM 1198 C ARG B 30 3.859 -7.315 -6.474 1.00 0.00 C ATOM 1199 O ARG B 30 3.266 -6.824 -7.429 1.00 0.00 O ATOM 1200 CB ARG B 30 5.425 -9.270 -6.551 1.00 0.00 C ATOM 1201 CG ARG B 30 5.954 -8.932 -7.934 1.00 0.00 C ATOM 1202 CD ARG B 30 6.666 -10.121 -8.560 1.00 0.00 C ATOM 1203 NE ARG B 30 5.837 -10.786 -9.563 1.00 0.00 N ATOM 1204 CZ ARG B 30 5.888 -12.086 -9.844 1.00 0.00 C ATOM 1205 NH1 ARG B 30 6.681 -12.891 -9.146 1.00 0.00 N ATOM 1206 NH2 ARG B 30 5.120 -12.584 -10.806 1.00 0.00 N ATOM 0 H ARG B 30 2.847 -9.097 -8.056 1.00 0.00 H new ATOM 0 HA ARG B 30 3.694 -9.058 -5.277 1.00 0.00 H new ATOM 0 HB2 ARG B 30 6.069 -8.804 -5.805 1.00 0.00 H new ATOM 0 HB3 ARG B 30 5.492 -10.348 -6.402 1.00 0.00 H new ATOM 0 HG2 ARG B 30 5.129 -8.621 -8.575 1.00 0.00 H new ATOM 0 HG3 ARG B 30 6.641 -8.088 -7.867 1.00 0.00 H new ATOM 0 HD2 ARG B 30 7.595 -9.786 -9.021 1.00 0.00 H new ATOM 0 HD3 ARG B 30 6.936 -10.834 -7.781 1.00 0.00 H new ATOM 0 HE ARG B 30 5.173 -10.214 -10.084 1.00 0.00 H new ATOM 0 HH11 ARG B 30 7.254 -12.514 -8.391 1.00 0.00 H new ATOM 0 HH12 ARG B 30 6.717 -13.887 -9.365 1.00 0.00 H new ATOM 0 HH21 ARG B 30 4.493 -11.971 -11.327 1.00 0.00 H new ATOM 0 HH22 ARG B 30 5.157 -13.580 -11.024 1.00 0.00 H new ATOM 1220 N ILE B 31 4.425 -6.593 -5.519 1.00 0.00 N ATOM 1221 CA ILE B 31 4.421 -5.139 -5.527 1.00 0.00 C ATOM 1222 C ILE B 31 5.837 -4.642 -5.819 1.00 0.00 C ATOM 1223 O ILE B 31 6.779 -4.974 -5.095 1.00 0.00 O ATOM 1224 CB ILE B 31 3.918 -4.573 -4.174 1.00 0.00 C ATOM 1225 CG1 ILE B 31 4.221 -3.077 -4.057 1.00 0.00 C ATOM 1226 CG2 ILE B 31 4.530 -5.330 -3.005 1.00 0.00 C ATOM 1227 CD1 ILE B 31 3.748 -2.460 -2.756 1.00 0.00 C ATOM 0 H ILE B 31 4.901 -7.001 -4.714 1.00 0.00 H new ATOM 0 HA ILE B 31 3.739 -4.789 -6.302 1.00 0.00 H new ATOM 0 HB ILE B 31 2.837 -4.707 -4.142 1.00 0.00 H new ATOM 0 HG12 ILE B 31 5.296 -2.925 -4.152 1.00 0.00 H new ATOM 0 HG13 ILE B 31 3.750 -2.554 -4.889 1.00 0.00 H new ATOM 0 HG21 ILE B 31 4.161 -4.913 -2.068 1.00 0.00 H new ATOM 0 HG22 ILE B 31 4.253 -6.382 -3.068 1.00 0.00 H new ATOM 0 HG23 ILE B 31 5.616 -5.238 -3.040 1.00 0.00 H new ATOM 0 HD11 ILE B 31 3.997 -1.399 -2.745 1.00 0.00 H new ATOM 0 HD12 ILE B 31 2.668 -2.580 -2.668 1.00 0.00 H new ATOM 0 HD13 ILE B 31 4.238 -2.957 -1.918 1.00 0.00 H new ATOM 1239 N ALA B 32 5.998 -3.874 -6.884 1.00 0.00 N ATOM 1240 CA ALA B 32 7.312 -3.370 -7.253 1.00 0.00 C ATOM 1241 C ALA B 32 7.368 -1.855 -7.182 1.00 0.00 C ATOM 1242 O ALA B 32 6.381 -1.169 -7.442 1.00 0.00 O ATOM 1243 CB ALA B 32 7.700 -3.848 -8.642 1.00 0.00 C ATOM 0 H ALA B 32 5.241 -3.587 -7.505 1.00 0.00 H new ATOM 0 HA ALA B 32 8.028 -3.765 -6.533 1.00 0.00 H new ATOM 0 HB1 ALA B 32 8.686 -3.460 -8.898 1.00 0.00 H new ATOM 0 HB2 ALA B 32 7.724 -4.938 -8.658 1.00 0.00 H new ATOM 0 HB3 ALA B 32 6.969 -3.490 -9.367 1.00 0.00 H new ATOM 1249 N TRP B 33 8.531 -1.341 -6.835 1.00 0.00 N ATOM 1250 CA TRP B 33 8.735 0.089 -6.726 1.00 0.00 C ATOM 1251 C TRP B 33 10.011 0.498 -7.458 1.00 0.00 C ATOM 1252 O TRP B 33 11.000 -0.242 -7.470 1.00 0.00 O ATOM 1253 CB TRP B 33 8.806 0.501 -5.250 1.00 0.00 C ATOM 1254 CG TRP B 33 8.962 1.977 -5.054 1.00 0.00 C ATOM 1255 CD1 TRP B 33 7.965 2.896 -4.901 1.00 0.00 C ATOM 1256 CD2 TRP B 33 10.193 2.708 -5.004 1.00 0.00 C ATOM 1257 NE1 TRP B 33 8.503 4.151 -4.765 1.00 0.00 N ATOM 1258 CE2 TRP B 33 9.866 4.060 -4.827 1.00 0.00 C ATOM 1259 CE3 TRP B 33 11.540 2.347 -5.096 1.00 0.00 C ATOM 1260 CZ2 TRP B 33 10.832 5.052 -4.741 1.00 0.00 C ATOM 1261 CZ3 TRP B 33 12.501 3.335 -5.011 1.00 0.00 C ATOM 1262 CH2 TRP B 33 12.141 4.676 -4.836 1.00 0.00 C ATOM 0 H TRP B 33 9.357 -1.900 -6.622 1.00 0.00 H new ATOM 0 HA TRP B 33 7.892 0.602 -7.189 1.00 0.00 H new ATOM 0 HB2 TRP B 33 7.900 0.168 -4.743 1.00 0.00 H new ATOM 0 HB3 TRP B 33 9.643 -0.012 -4.777 1.00 0.00 H new ATOM 0 HD1 TRP B 33 6.909 2.669 -4.889 1.00 0.00 H new ATOM 0 HE1 TRP B 33 7.972 5.013 -4.638 1.00 0.00 H new ATOM 0 HE3 TRP B 33 11.824 1.314 -5.231 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 10.558 6.087 -4.603 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 13.545 3.069 -5.081 1.00 0.00 H new ATOM 0 HH2 TRP B 33 12.914 5.428 -4.775 1.00 0.00 H new ATOM 1273 N ALA B 34 9.968 1.665 -8.083 1.00 0.00 N ATOM 1274 CA ALA B 34 11.105 2.203 -8.814 1.00 0.00 C ATOM 1275 C ALA B 34 11.101 3.731 -8.725 1.00 0.00 C ATOM 1276 O ALA B 34 10.047 4.338 -8.883 1.00 0.00 O ATOM 1277 CB ALA B 34 11.042 1.751 -10.257 1.00 0.00 C ATOM 0 H ALA B 34 9.144 2.266 -8.098 1.00 0.00 H new ATOM 0 HA ALA B 34 12.031 1.833 -8.374 1.00 0.00 H new ATOM 0 HB1 ALA B 34 11.895 2.155 -10.802 1.00 0.00 H new ATOM 0 HB2 ALA B 34 11.068 0.662 -10.299 1.00 0.00 H new ATOM 0 HB3 ALA B 34 10.118 2.110 -10.711 1.00 0.00 H new ATOM 1283 N PRO B 35 12.266 4.373 -8.485 1.00 0.00 N ATOM 1284 CA PRO B 35 12.376 5.845 -8.356 1.00 0.00 C ATOM 1285 C PRO B 35 11.744 6.591 -9.531 1.00 0.00 C ATOM 1286 O PRO B 35 11.824 6.137 -10.666 1.00 0.00 O ATOM 1287 CB PRO B 35 13.890 6.098 -8.315 1.00 0.00 C ATOM 1288 CG PRO B 35 14.524 4.818 -8.749 1.00 0.00 C ATOM 1289 CD PRO B 35 13.577 3.727 -8.345 1.00 0.00 C ATOM 0 HA PRO B 35 11.846 6.207 -7.475 1.00 0.00 H new ATOM 0 HB2 PRO B 35 14.168 6.917 -8.978 1.00 0.00 H new ATOM 0 HB3 PRO B 35 14.214 6.375 -7.312 1.00 0.00 H new ATOM 0 HG2 PRO B 35 14.690 4.811 -9.826 1.00 0.00 H new ATOM 0 HG3 PRO B 35 15.497 4.685 -8.276 1.00 0.00 H new ATOM 0 HD2 PRO B 35 13.669 2.852 -8.988 1.00 0.00 H new ATOM 0 HD3 PRO B 35 13.757 3.392 -7.324 1.00 0.00 H new ATOM 1411 N ILE B 43 12.872 -2.270 -6.513 1.00 0.00 N ATOM 1412 CA ILE B 43 12.438 -3.087 -5.387 1.00 0.00 C ATOM 1413 C ILE B 43 11.172 -3.859 -5.742 1.00 0.00 C ATOM 1414 O ILE B 43 10.305 -3.342 -6.442 1.00 0.00 O ATOM 1415 CB ILE B 43 12.176 -2.225 -4.131 1.00 0.00 C ATOM 1416 CG1 ILE B 43 13.242 -1.132 -3.991 1.00 0.00 C ATOM 1417 CG2 ILE B 43 12.152 -3.100 -2.888 1.00 0.00 C ATOM 1418 CD1 ILE B 43 12.978 -0.168 -2.854 1.00 0.00 C ATOM 0 HA ILE B 43 13.243 -3.788 -5.166 1.00 0.00 H new ATOM 0 HB ILE B 43 11.204 -1.744 -4.241 1.00 0.00 H new ATOM 0 HG12 ILE B 43 14.214 -1.602 -3.839 1.00 0.00 H new ATOM 0 HG13 ILE B 43 13.301 -0.572 -4.924 1.00 0.00 H new ATOM 0 HG21 ILE B 43 11.967 -2.481 -2.011 1.00 0.00 H new ATOM 0 HG22 ILE B 43 11.360 -3.843 -2.981 1.00 0.00 H new ATOM 0 HG23 ILE B 43 13.112 -3.605 -2.780 1.00 0.00 H new ATOM 0 HD11 ILE B 43 13.773 0.577 -2.816 1.00 0.00 H new ATOM 0 HD12 ILE B 43 12.022 0.330 -3.014 1.00 0.00 H new ATOM 0 HD13 ILE B 43 12.949 -0.716 -1.912 1.00 0.00 H new ATOM 1430 N SER B 44 11.078 -5.100 -5.277 1.00 0.00 N ATOM 1431 CA SER B 44 9.916 -5.932 -5.546 1.00 0.00 C ATOM 1432 C SER B 44 9.656 -6.876 -4.373 1.00 0.00 C ATOM 1433 O SER B 44 10.551 -7.601 -3.940 1.00 0.00 O ATOM 1434 CB SER B 44 10.132 -6.728 -6.838 1.00 0.00 C ATOM 1435 OG SER B 44 8.941 -7.372 -7.257 1.00 0.00 O ATOM 0 H SER B 44 11.796 -5.551 -4.710 1.00 0.00 H new ATOM 0 HA SER B 44 9.043 -5.291 -5.670 1.00 0.00 H new ATOM 0 HB2 SER B 44 10.481 -6.059 -7.625 1.00 0.00 H new ATOM 0 HB3 SER B 44 10.913 -7.472 -6.682 1.00 0.00 H new ATOM 0 HG SER B 44 9.112 -7.869 -8.084 1.00 0.00 H new ATOM 1441 N HIS B 45 8.434 -6.845 -3.852 1.00 0.00 N ATOM 1442 CA HIS B 45 8.046 -7.698 -2.732 1.00 0.00 C ATOM 1443 C HIS B 45 6.868 -8.565 -3.133 1.00 0.00 C ATOM 1444 O HIS B 45 5.879 -8.064 -3.669 1.00 0.00 O ATOM 1445 CB HIS B 45 7.644 -6.870 -1.499 1.00 0.00 C ATOM 1446 CG HIS B 45 8.496 -5.664 -1.228 1.00 0.00 C ATOM 1447 ND1 HIS B 45 9.490 -5.616 -0.275 1.00 0.00 N ATOM 1448 CD2 HIS B 45 8.461 -4.431 -1.794 1.00 0.00 C ATOM 1449 CE1 HIS B 45 10.014 -4.385 -0.289 1.00 0.00 C ATOM 1450 NE2 HIS B 45 9.423 -3.626 -1.196 1.00 0.00 N ATOM 0 H HIS B 45 7.690 -6.234 -4.190 1.00 0.00 H new ATOM 0 HA HIS B 45 8.909 -8.313 -2.475 1.00 0.00 H new ATOM 0 HB2 HIS B 45 6.611 -6.544 -1.622 1.00 0.00 H new ATOM 0 HB3 HIS B 45 7.671 -7.518 -0.623 1.00 0.00 H new ATOM 0 HD2 HIS B 45 7.792 -4.124 -2.584 1.00 0.00 H new ATOM 0 HE1 HIS B 45 10.815 -4.055 0.356 1.00 0.00 H new ATOM 0 HE2 HIS B 45 9.630 -2.651 -1.412 1.00 0.00 H new ATOM 1458 N MET B 46 6.966 -9.858 -2.890 1.00 0.00 N ATOM 1459 CA MET B 46 5.879 -10.762 -3.217 1.00 0.00 C ATOM 1460 C MET B 46 4.810 -10.651 -2.145 1.00 0.00 C ATOM 1461 O MET B 46 5.134 -10.554 -0.963 1.00 0.00 O ATOM 1462 CB MET B 46 6.369 -12.211 -3.297 1.00 0.00 C ATOM 1463 CG MET B 46 7.366 -12.472 -4.414 1.00 0.00 C ATOM 1464 SD MET B 46 6.579 -12.589 -6.031 1.00 0.00 S ATOM 1465 CE MET B 46 5.376 -13.884 -5.729 1.00 0.00 C ATOM 0 H MET B 46 7.781 -10.304 -2.470 1.00 0.00 H new ATOM 0 HA MET B 46 5.475 -10.485 -4.191 1.00 0.00 H new ATOM 0 HB2 MET B 46 6.828 -12.480 -2.346 1.00 0.00 H new ATOM 0 HB3 MET B 46 5.509 -12.866 -3.433 1.00 0.00 H new ATOM 0 HG2 MET B 46 8.105 -11.671 -4.431 1.00 0.00 H new ATOM 0 HG3 MET B 46 7.903 -13.398 -4.208 1.00 0.00 H new ATOM 0 HE1 MET B 46 5.275 -14.502 -6.621 1.00 0.00 H new ATOM 0 HE2 MET B 46 5.709 -14.502 -4.895 1.00 0.00 H new ATOM 0 HE3 MET B 46 4.412 -13.436 -5.487 1.00 0.00 H new ATOM 1475 N TYR B 47 3.544 -10.636 -2.549 1.00 0.00 N ATOM 1476 CA TYR B 47 2.444 -10.554 -1.584 1.00 0.00 C ATOM 1477 C TYR B 47 2.594 -11.669 -0.552 1.00 0.00 C ATOM 1478 O TYR B 47 2.292 -11.494 0.629 1.00 0.00 O ATOM 1479 CB TYR B 47 1.086 -10.672 -2.282 1.00 0.00 C ATOM 1480 CG TYR B 47 0.653 -9.422 -3.022 1.00 0.00 C ATOM 1481 CD1 TYR B 47 1.245 -9.065 -4.224 1.00 0.00 C ATOM 1482 CD2 TYR B 47 -0.358 -8.607 -2.526 1.00 0.00 C ATOM 1483 CE1 TYR B 47 0.850 -7.935 -4.908 1.00 0.00 C ATOM 1484 CE2 TYR B 47 -0.760 -7.475 -3.209 1.00 0.00 C ATOM 1485 CZ TYR B 47 -0.152 -7.144 -4.400 1.00 0.00 C ATOM 1486 OH TYR B 47 -0.546 -6.022 -5.089 1.00 0.00 O ATOM 0 H TYR B 47 3.252 -10.679 -3.525 1.00 0.00 H new ATOM 0 HA TYR B 47 2.487 -9.583 -1.091 1.00 0.00 H new ATOM 0 HB2 TYR B 47 1.124 -11.502 -2.987 1.00 0.00 H new ATOM 0 HB3 TYR B 47 0.329 -10.920 -1.538 1.00 0.00 H new ATOM 0 HD1 TYR B 47 2.030 -9.684 -4.632 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -0.837 -8.863 -1.592 1.00 0.00 H new ATOM 0 HE1 TYR B 47 1.327 -7.672 -5.841 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -1.548 -6.852 -2.811 1.00 0.00 H new ATOM 0 HH TYR B 47 -0.490 -6.193 -6.052 1.00 0.00 H new ATOM 1496 N ALA B 48 3.070 -12.812 -1.033 1.00 0.00 N ATOM 1497 CA ALA B 48 3.318 -13.985 -0.211 1.00 0.00 C ATOM 1498 C ALA B 48 4.208 -13.691 0.999 1.00 0.00 C ATOM 1499 O ALA B 48 3.963 -14.224 2.071 1.00 0.00 O ATOM 1500 CB ALA B 48 3.959 -15.068 -1.065 1.00 0.00 C ATOM 0 H ALA B 48 3.297 -12.949 -2.018 1.00 0.00 H new ATOM 0 HA ALA B 48 2.355 -14.317 0.178 1.00 0.00 H new ATOM 0 HB1 ALA B 48 4.147 -15.950 -0.453 1.00 0.00 H new ATOM 0 HB2 ALA B 48 3.289 -15.330 -1.883 1.00 0.00 H new ATOM 0 HB3 ALA B 48 4.901 -14.701 -1.471 1.00 0.00 H new ATOM 1506 N ASP B 49 5.224 -12.843 0.822 1.00 0.00 N ATOM 1507 CA ASP B 49 6.168 -12.512 1.892 1.00 0.00 C ATOM 1508 C ASP B 49 5.671 -11.360 2.759 1.00 0.00 C ATOM 1509 O ASP B 49 6.127 -11.182 3.894 1.00 0.00 O ATOM 1510 CB ASP B 49 7.513 -12.085 1.321 1.00 0.00 C ATOM 1511 CG ASP B 49 7.856 -12.709 -0.021 1.00 0.00 C ATOM 1512 OD1 ASP B 49 7.785 -13.948 -0.150 1.00 0.00 O ATOM 1513 OD2 ASP B 49 8.195 -11.945 -0.954 1.00 0.00 O ATOM 0 H ASP B 49 5.415 -12.369 -0.061 1.00 0.00 H new ATOM 0 HA ASP B 49 6.265 -13.417 2.492 1.00 0.00 H new ATOM 0 HB2 ASP B 49 7.520 -11.000 1.215 1.00 0.00 H new ATOM 0 HB3 ASP B 49 8.295 -12.341 2.036 1.00 0.00 H new ATOM 1518 N ILE B 50 4.769 -10.549 2.236 1.00 0.00 N ATOM 1519 CA ILE B 50 4.270 -9.428 3.011 1.00 0.00 C ATOM 1520 C ILE B 50 3.209 -9.912 3.974 1.00 0.00 C ATOM 1521 O ILE B 50 2.094 -10.245 3.578 1.00 0.00 O ATOM 1522 CB ILE B 50 3.706 -8.292 2.138 1.00 0.00 C ATOM 1523 CG1 ILE B 50 4.512 -8.165 0.847 1.00 0.00 C ATOM 1524 CG2 ILE B 50 3.735 -6.976 2.910 1.00 0.00 C ATOM 1525 CD1 ILE B 50 4.141 -6.958 0.023 1.00 0.00 C ATOM 0 H ILE B 50 4.375 -10.641 1.300 1.00 0.00 H new ATOM 0 HA ILE B 50 5.118 -9.012 3.555 1.00 0.00 H new ATOM 0 HB ILE B 50 2.673 -8.527 1.881 1.00 0.00 H new ATOM 0 HG12 ILE B 50 5.573 -8.115 1.094 1.00 0.00 H new ATOM 0 HG13 ILE B 50 4.366 -9.063 0.247 1.00 0.00 H new ATOM 0 HG21 ILE B 50 3.334 -6.178 2.285 1.00 0.00 H new ATOM 0 HG22 ILE B 50 3.129 -7.069 3.811 1.00 0.00 H new ATOM 0 HG23 ILE B 50 4.762 -6.739 3.186 1.00 0.00 H new ATOM 0 HD11 ILE B 50 4.753 -6.931 -0.879 1.00 0.00 H new ATOM 0 HD12 ILE B 50 3.088 -7.016 -0.254 1.00 0.00 H new ATOM 0 HD13 ILE B 50 4.313 -6.053 0.605 1.00 0.00 H new ATOM 1537 N LYS B 51 3.563 -9.968 5.243 1.00 0.00 N ATOM 1538 CA LYS B 51 2.639 -10.434 6.250 1.00 0.00 C ATOM 1539 C LYS B 51 1.535 -9.412 6.463 1.00 0.00 C ATOM 1540 O LYS B 51 0.373 -9.762 6.648 1.00 0.00 O ATOM 1541 CB LYS B 51 3.359 -10.694 7.567 1.00 0.00 C ATOM 1542 CG LYS B 51 2.661 -11.729 8.432 1.00 0.00 C ATOM 1543 CD LYS B 51 2.666 -11.322 9.891 1.00 0.00 C ATOM 1544 CE LYS B 51 1.623 -10.245 10.176 1.00 0.00 C ATOM 1545 NZ LYS B 51 0.227 -10.744 10.012 1.00 0.00 N ATOM 0 H LYS B 51 4.480 -9.697 5.597 1.00 0.00 H new ATOM 0 HA LYS B 51 2.201 -11.369 5.901 1.00 0.00 H new ATOM 0 HB2 LYS B 51 4.375 -11.029 7.359 1.00 0.00 H new ATOM 0 HB3 LYS B 51 3.438 -9.759 8.122 1.00 0.00 H new ATOM 0 HG2 LYS B 51 1.633 -11.857 8.092 1.00 0.00 H new ATOM 0 HG3 LYS B 51 3.156 -12.693 8.320 1.00 0.00 H new ATOM 0 HD2 LYS B 51 2.469 -12.195 10.514 1.00 0.00 H new ATOM 0 HD3 LYS B 51 3.655 -10.953 10.163 1.00 0.00 H new ATOM 0 HE2 LYS B 51 1.756 -9.875 11.193 1.00 0.00 H new ATOM 0 HE3 LYS B 51 1.785 -9.401 9.506 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -0.443 -10.008 10.314 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 0.057 -10.978 9.013 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 0.092 -11.595 10.595 1.00 0.00 H new ATOM 1559 N CYS B 52 1.904 -8.144 6.404 1.00 0.00 N ATOM 1560 CA CYS B 52 0.956 -7.069 6.612 1.00 0.00 C ATOM 1561 C CYS B 52 1.561 -5.740 6.192 1.00 0.00 C ATOM 1562 O CYS B 52 2.688 -5.685 5.698 1.00 0.00 O ATOM 1563 CB CYS B 52 0.515 -7.023 8.077 1.00 0.00 C ATOM 1564 SG CYS B 52 1.863 -6.961 9.281 1.00 0.00 S ATOM 0 H CYS B 52 2.857 -7.836 6.213 1.00 0.00 H new ATOM 0 HA CYS B 52 0.077 -7.256 5.995 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -0.121 -6.150 8.222 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -0.097 -7.901 8.284 1.00 0.00 H new ATOM 0 HG CYS B 52 2.313 -5.744 9.367 1.00 0.00 H new ATOM 1570 N GLN B 53 0.806 -4.677 6.377 1.00 0.00 N ATOM 1571 CA GLN B 53 1.250 -3.344 6.024 1.00 0.00 C ATOM 1572 C GLN B 53 0.627 -2.367 6.987 1.00 0.00 C ATOM 1573 O GLN B 53 -0.466 -2.584 7.443 1.00 0.00 O ATOM 1574 CB GLN B 53 0.848 -2.999 4.586 1.00 0.00 C ATOM 1575 CG GLN B 53 -0.549 -2.415 4.476 1.00 0.00 C ATOM 1576 CD GLN B 53 -1.255 -2.822 3.208 1.00 0.00 C ATOM 1577 OE1 GLN B 53 -1.200 -2.123 2.205 1.00 0.00 O ATOM 1578 NE2 GLN B 53 -1.926 -3.958 3.252 1.00 0.00 N ATOM 0 H GLN B 53 -0.132 -4.712 6.776 1.00 0.00 H new ATOM 0 HA GLN B 53 2.337 -3.292 6.085 1.00 0.00 H new ATOM 0 HB2 GLN B 53 1.565 -2.287 4.177 1.00 0.00 H new ATOM 0 HB3 GLN B 53 0.907 -3.899 3.974 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -1.140 -2.735 5.334 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -0.488 -1.328 4.519 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -1.943 -4.507 4.111 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -2.427 -4.286 2.427 1.00 0.00 H new ATOM 1587 N LYS B 54 1.306 -1.312 7.322 1.00 0.00 N ATOM 1588 CA LYS B 54 0.734 -0.352 8.235 1.00 0.00 C ATOM 1589 C LYS B 54 0.699 1.008 7.559 1.00 0.00 C ATOM 1590 O LYS B 54 1.513 1.288 6.697 1.00 0.00 O ATOM 1591 CB LYS B 54 1.509 -0.328 9.545 1.00 0.00 C ATOM 1592 CG LYS B 54 1.887 -1.704 10.071 1.00 0.00 C ATOM 1593 CD LYS B 54 2.553 -1.626 11.437 1.00 0.00 C ATOM 1594 CE LYS B 54 2.769 -3.015 12.023 1.00 0.00 C ATOM 1595 NZ LYS B 54 2.789 -3.000 13.512 1.00 0.00 N ATOM 0 H LYS B 54 2.243 -1.090 6.986 1.00 0.00 H new ATOM 0 HA LYS B 54 -0.288 -0.637 8.486 1.00 0.00 H new ATOM 0 HB2 LYS B 54 2.418 0.258 9.406 1.00 0.00 H new ATOM 0 HB3 LYS B 54 0.911 0.185 10.298 1.00 0.00 H new ATOM 0 HG2 LYS B 54 0.994 -2.325 10.138 1.00 0.00 H new ATOM 0 HG3 LYS B 54 2.561 -2.190 9.366 1.00 0.00 H new ATOM 0 HD2 LYS B 54 3.510 -1.112 11.349 1.00 0.00 H new ATOM 0 HD3 LYS B 54 1.935 -1.035 12.113 1.00 0.00 H new ATOM 0 HE2 LYS B 54 1.977 -3.680 11.679 1.00 0.00 H new ATOM 0 HE3 LYS B 54 3.710 -3.421 11.653 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 2.615 -3.960 13.871 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 3.718 -2.669 13.843 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 2.048 -2.360 13.863 1.00 0.00 H new ATOM 1609 N ILE B 55 -0.244 1.843 7.934 1.00 0.00 N ATOM 1610 CA ILE B 55 -0.401 3.144 7.295 1.00 0.00 C ATOM 1611 C ILE B 55 -0.237 4.299 8.284 1.00 0.00 C ATOM 1612 O ILE B 55 -0.894 4.332 9.307 1.00 0.00 O ATOM 1613 CB ILE B 55 -1.796 3.197 6.650 1.00 0.00 C ATOM 1614 CG1 ILE B 55 -2.862 3.008 7.733 1.00 0.00 C ATOM 1615 CG2 ILE B 55 -1.910 2.109 5.596 1.00 0.00 C ATOM 1616 CD1 ILE B 55 -4.057 2.200 7.309 1.00 0.00 C ATOM 0 H ILE B 55 -0.916 1.651 8.677 1.00 0.00 H new ATOM 0 HA ILE B 55 0.380 3.260 6.544 1.00 0.00 H new ATOM 0 HB ILE B 55 -1.946 4.164 6.171 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -2.402 2.525 8.595 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -3.203 3.990 8.062 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -2.899 2.147 5.139 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -1.150 2.264 4.830 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -1.763 1.135 6.062 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -4.756 2.120 8.141 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -4.548 2.690 6.468 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -3.734 1.203 7.010 1.00 0.00 H new ATOM 1628 N SER B 56 0.631 5.255 7.986 1.00 0.00 N ATOM 1629 CA SER B 56 0.833 6.369 8.898 1.00 0.00 C ATOM 1630 C SER B 56 -0.314 7.348 8.762 1.00 0.00 C ATOM 1631 O SER B 56 -0.485 7.984 7.703 1.00 0.00 O ATOM 1632 CB SER B 56 2.185 7.057 8.685 1.00 0.00 C ATOM 1633 OG SER B 56 2.363 7.456 7.346 1.00 0.00 O ATOM 0 H SER B 56 1.196 5.282 7.137 1.00 0.00 H new ATOM 0 HA SER B 56 0.850 5.978 9.915 1.00 0.00 H new ATOM 0 HB2 SER B 56 2.256 7.928 9.336 1.00 0.00 H new ATOM 0 HB3 SER B 56 2.988 6.378 8.972 1.00 0.00 H new ATOM 0 HG SER B 56 2.792 8.337 7.321 1.00 0.00 H new ATOM 1639 N PRO B 57 -1.108 7.437 9.850 1.00 0.00 N ATOM 1640 CA PRO B 57 -2.302 8.289 9.961 1.00 0.00 C ATOM 1641 C PRO B 57 -1.999 9.778 9.946 1.00 0.00 C ATOM 1642 O PRO B 57 -0.839 10.195 10.057 1.00 0.00 O ATOM 1643 CB PRO B 57 -2.888 7.906 11.327 1.00 0.00 C ATOM 1644 CG PRO B 57 -1.729 7.389 12.099 1.00 0.00 C ATOM 1645 CD PRO B 57 -0.880 6.678 11.097 1.00 0.00 C ATOM 0 HA PRO B 57 -2.966 8.129 9.112 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -3.341 8.766 11.820 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -3.667 7.150 11.227 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -1.180 8.201 12.576 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -2.053 6.714 12.891 1.00 0.00 H new ATOM 0 HD2 PRO B 57 0.171 6.685 11.385 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -1.174 5.634 10.991 1.00 0.00 H new ATOM 1653 N GLU B 58 -3.064 10.563 9.797 1.00 0.00 N ATOM 1654 CA GLU B 58 -2.974 12.014 9.785 1.00 0.00 C ATOM 1655 C GLU B 58 -2.330 12.514 11.075 1.00 0.00 C ATOM 1656 O GLU B 58 -2.367 11.837 12.107 1.00 0.00 O ATOM 1657 CB GLU B 58 -4.366 12.628 9.613 1.00 0.00 C ATOM 1658 CG GLU B 58 -4.471 13.572 8.426 1.00 0.00 C ATOM 1659 CD GLU B 58 -3.681 14.849 8.629 1.00 0.00 C ATOM 1660 OE1 GLU B 58 -2.433 14.780 8.644 1.00 0.00 O ATOM 1661 OE2 GLU B 58 -4.309 15.914 8.783 1.00 0.00 O ATOM 0 H GLU B 58 -4.013 10.207 9.681 1.00 0.00 H new ATOM 0 HA GLU B 58 -2.351 12.320 8.944 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -5.096 11.827 9.495 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -4.630 13.169 10.522 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -4.112 13.065 7.530 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -5.518 13.820 8.254 1.00 0.00 H new ATOM 1668 N GLY B 59 -1.751 13.694 11.010 1.00 0.00 N ATOM 1669 CA GLY B 59 -1.070 14.255 12.155 1.00 0.00 C ATOM 1670 C GLY B 59 0.407 14.354 11.874 1.00 0.00 C ATOM 1671 O GLY B 59 1.135 15.112 12.513 1.00 0.00 O ATOM 0 H GLY B 59 -1.739 14.282 10.177 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -1.473 15.242 12.381 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -1.241 13.632 13.033 1.00 0.00 H new ATOM 1675 N LYS B 60 0.842 13.560 10.906 1.00 0.00 N ATOM 1676 CA LYS B 60 2.226 13.552 10.478 1.00 0.00 C ATOM 1677 C LYS B 60 2.349 14.447 9.255 1.00 0.00 C ATOM 1678 O LYS B 60 1.355 14.736 8.597 1.00 0.00 O ATOM 1679 CB LYS B 60 2.696 12.130 10.136 1.00 0.00 C ATOM 1680 CG LYS B 60 2.759 11.188 11.332 1.00 0.00 C ATOM 1681 CD LYS B 60 3.419 9.863 10.960 1.00 0.00 C ATOM 1682 CE LYS B 60 3.093 8.765 11.964 1.00 0.00 C ATOM 1683 NZ LYS B 60 1.631 8.696 12.238 1.00 0.00 N ATOM 0 H LYS B 60 0.245 12.907 10.399 1.00 0.00 H new ATOM 0 HA LYS B 60 2.856 13.919 11.288 1.00 0.00 H new ATOM 0 HB2 LYS B 60 2.024 11.707 9.390 1.00 0.00 H new ATOM 0 HB3 LYS B 60 3.684 12.186 9.680 1.00 0.00 H new ATOM 0 HG2 LYS B 60 3.317 11.660 12.141 1.00 0.00 H new ATOM 0 HG3 LYS B 60 1.752 11.003 11.705 1.00 0.00 H new ATOM 0 HD2 LYS B 60 3.087 9.558 9.968 1.00 0.00 H new ATOM 0 HD3 LYS B 60 4.499 9.998 10.907 1.00 0.00 H new ATOM 0 HE2 LYS B 60 3.439 7.805 11.581 1.00 0.00 H new ATOM 0 HE3 LYS B 60 3.631 8.949 12.894 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 1.328 7.701 12.257 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 1.429 9.137 13.158 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 1.114 9.202 11.491 1.00 0.00 H new ATOM 1697 N ALA B 61 3.558 14.868 8.939 1.00 0.00 N ATOM 1698 CA ALA B 61 3.780 15.740 7.792 1.00 0.00 C ATOM 1699 C ALA B 61 3.639 14.990 6.473 1.00 0.00 C ATOM 1700 O ALA B 61 3.723 15.588 5.402 1.00 0.00 O ATOM 1701 CB ALA B 61 5.148 16.399 7.886 1.00 0.00 C ATOM 0 H ALA B 61 4.403 14.624 9.456 1.00 0.00 H new ATOM 0 HA ALA B 61 3.011 16.512 7.812 1.00 0.00 H new ATOM 0 HB1 ALA B 61 5.300 17.047 7.023 1.00 0.00 H new ATOM 0 HB2 ALA B 61 5.204 16.992 8.799 1.00 0.00 H new ATOM 0 HB3 ALA B 61 5.921 15.631 7.903 1.00 0.00 H new ATOM 1707 N LYS B 62 3.439 13.681 6.547 1.00 0.00 N ATOM 1708 CA LYS B 62 3.306 12.878 5.346 1.00 0.00 C ATOM 1709 C LYS B 62 2.474 11.617 5.592 1.00 0.00 C ATOM 1710 O LYS B 62 2.717 10.864 6.541 1.00 0.00 O ATOM 1711 CB LYS B 62 4.696 12.516 4.812 1.00 0.00 C ATOM 1712 CG LYS B 62 5.688 12.115 5.895 1.00 0.00 C ATOM 1713 CD LYS B 62 7.121 12.448 5.507 1.00 0.00 C ATOM 1714 CE LYS B 62 8.086 12.059 6.614 1.00 0.00 C ATOM 1715 NZ LYS B 62 9.506 12.293 6.246 1.00 0.00 N ATOM 0 H LYS B 62 3.366 13.159 7.420 1.00 0.00 H new ATOM 0 HA LYS B 62 2.775 13.469 4.600 1.00 0.00 H new ATOM 0 HB2 LYS B 62 4.599 11.696 4.100 1.00 0.00 H new ATOM 0 HB3 LYS B 62 5.097 13.368 4.263 1.00 0.00 H new ATOM 0 HG2 LYS B 62 5.436 12.626 6.824 1.00 0.00 H new ATOM 0 HG3 LYS B 62 5.603 11.045 6.086 1.00 0.00 H new ATOM 0 HD2 LYS B 62 7.385 11.924 4.588 1.00 0.00 H new ATOM 0 HD3 LYS B 62 7.208 13.515 5.301 1.00 0.00 H new ATOM 0 HE2 LYS B 62 7.850 12.628 7.513 1.00 0.00 H new ATOM 0 HE3 LYS B 62 7.947 11.006 6.858 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 10.120 12.011 7.036 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 9.744 11.730 5.404 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 9.649 13.302 6.039 1.00 0.00 H new ATOM 1729 N ILE B 63 1.472 11.418 4.740 1.00 0.00 N ATOM 1730 CA ILE B 63 0.600 10.249 4.806 1.00 0.00 C ATOM 1731 C ILE B 63 1.333 9.097 4.131 1.00 0.00 C ATOM 1732 O ILE B 63 1.711 9.209 2.963 1.00 0.00 O ATOM 1733 CB ILE B 63 -0.748 10.527 4.101 1.00 0.00 C ATOM 1734 CG1 ILE B 63 -1.431 11.756 4.711 1.00 0.00 C ATOM 1735 CG2 ILE B 63 -1.668 9.326 4.194 1.00 0.00 C ATOM 1736 CD1 ILE B 63 -1.171 13.041 3.953 1.00 0.00 C ATOM 0 H ILE B 63 1.242 12.063 3.984 1.00 0.00 H new ATOM 0 HA ILE B 63 0.373 10.003 5.843 1.00 0.00 H new ATOM 0 HB ILE B 63 -0.540 10.723 3.049 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -2.506 11.580 4.751 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -1.090 11.877 5.739 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -2.609 9.548 3.690 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -1.195 8.468 3.717 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -1.863 9.097 5.242 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -1.687 13.865 4.446 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -0.100 13.243 3.935 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -1.538 12.942 2.932 1.00 0.00 H new ATOM 1748 N GLN B 64 1.539 7.983 4.832 1.00 0.00 N ATOM 1749 CA GLN B 64 2.351 6.905 4.247 1.00 0.00 C ATOM 1750 C GLN B 64 1.848 5.489 4.524 1.00 0.00 C ATOM 1751 O GLN B 64 0.908 5.271 5.287 1.00 0.00 O ATOM 1752 CB GLN B 64 3.790 7.011 4.748 1.00 0.00 C ATOM 1753 CG GLN B 64 4.379 8.407 4.694 1.00 0.00 C ATOM 1754 CD GLN B 64 5.525 8.573 5.663 1.00 0.00 C ATOM 1755 OE1 GLN B 64 6.488 9.279 5.389 1.00 0.00 O ATOM 1756 NE2 GLN B 64 5.419 7.933 6.812 1.00 0.00 N ATOM 0 H GLN B 64 1.175 7.801 5.767 1.00 0.00 H new ATOM 0 HA GLN B 64 2.279 7.053 3.169 1.00 0.00 H new ATOM 0 HB2 GLN B 64 3.829 6.655 5.777 1.00 0.00 H new ATOM 0 HB3 GLN B 64 4.416 6.344 4.156 1.00 0.00 H new ATOM 0 HG2 GLN B 64 4.726 8.615 3.682 1.00 0.00 H new ATOM 0 HG3 GLN B 64 3.603 9.138 4.921 1.00 0.00 H new ATOM 0 HE21 GLN B 64 4.600 7.355 7.000 1.00 0.00 H new ATOM 0 HE22 GLN B 64 6.156 8.016 7.512 1.00 0.00 H new ATOM 1765 N LEU B 65 2.503 4.541 3.849 1.00 0.00 N ATOM 1766 CA LEU B 65 2.226 3.112 3.953 1.00 0.00 C ATOM 1767 C LEU B 65 3.525 2.330 4.203 1.00 0.00 C ATOM 1768 O LEU B 65 4.436 2.382 3.384 1.00 0.00 O ATOM 1769 CB LEU B 65 1.630 2.632 2.637 1.00 0.00 C ATOM 1770 CG LEU B 65 1.245 1.155 2.599 1.00 0.00 C ATOM 1771 CD1 LEU B 65 -0.196 0.962 3.029 1.00 0.00 C ATOM 1772 CD2 LEU B 65 1.484 0.576 1.217 1.00 0.00 C ATOM 0 H LEU B 65 3.260 4.755 3.199 1.00 0.00 H new ATOM 0 HA LEU B 65 1.537 2.946 4.781 1.00 0.00 H new ATOM 0 HB2 LEU B 65 0.744 3.228 2.419 1.00 0.00 H new ATOM 0 HB3 LEU B 65 2.348 2.825 1.840 1.00 0.00 H new ATOM 0 HG LEU B 65 1.879 0.618 3.305 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -0.447 -0.098 2.994 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -0.325 1.332 4.046 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -0.853 1.513 2.356 1.00 0.00 H new ATOM 0 HD21 LEU B 65 1.204 -0.477 1.210 1.00 0.00 H new ATOM 0 HD22 LEU B 65 0.882 1.116 0.487 1.00 0.00 H new ATOM 0 HD23 LEU B 65 2.539 0.672 0.960 1.00 0.00 H new ATOM 1784 N GLN B 66 3.629 1.619 5.323 1.00 0.00 N ATOM 1785 CA GLN B 66 4.821 0.828 5.597 1.00 0.00 C ATOM 1786 C GLN B 66 4.511 -0.654 5.367 1.00 0.00 C ATOM 1787 O GLN B 66 3.479 -1.156 5.804 1.00 0.00 O ATOM 1788 CB GLN B 66 5.342 1.055 7.025 1.00 0.00 C ATOM 1789 CG GLN B 66 4.779 0.108 8.075 1.00 0.00 C ATOM 1790 CD GLN B 66 5.628 0.052 9.332 1.00 0.00 C ATOM 1791 OE1 GLN B 66 5.135 -0.247 10.417 1.00 0.00 O ATOM 1792 NE2 GLN B 66 6.911 0.354 9.200 1.00 0.00 N ATOM 0 H GLN B 66 2.911 1.575 6.046 1.00 0.00 H new ATOM 0 HA GLN B 66 5.608 1.148 4.915 1.00 0.00 H new ATOM 0 HB2 GLN B 66 6.428 0.961 7.018 1.00 0.00 H new ATOM 0 HB3 GLN B 66 5.112 2.079 7.321 1.00 0.00 H new ATOM 0 HG2 GLN B 66 3.769 0.423 8.338 1.00 0.00 H new ATOM 0 HG3 GLN B 66 4.700 -0.893 7.650 1.00 0.00 H new ATOM 0 HE21 GLN B 66 7.286 0.598 8.283 1.00 0.00 H new ATOM 0 HE22 GLN B 66 7.524 0.343 10.015 1.00 0.00 H new ATOM 1801 N LEU B 67 5.380 -1.340 4.648 1.00 0.00 N ATOM 1802 CA LEU B 67 5.194 -2.760 4.380 1.00 0.00 C ATOM 1803 C LEU B 67 5.921 -3.575 5.431 1.00 0.00 C ATOM 1804 O LEU B 67 7.059 -3.271 5.765 1.00 0.00 O ATOM 1805 CB LEU B 67 5.723 -3.129 2.992 1.00 0.00 C ATOM 1806 CG LEU B 67 4.906 -2.601 1.814 1.00 0.00 C ATOM 1807 CD1 LEU B 67 5.517 -3.063 0.501 1.00 0.00 C ATOM 1808 CD2 LEU B 67 3.461 -3.061 1.918 1.00 0.00 C ATOM 0 H LEU B 67 6.223 -0.939 4.237 1.00 0.00 H new ATOM 0 HA LEU B 67 4.127 -2.979 4.413 1.00 0.00 H new ATOM 0 HB2 LEU B 67 6.743 -2.756 2.900 1.00 0.00 H new ATOM 0 HB3 LEU B 67 5.773 -4.215 2.919 1.00 0.00 H new ATOM 0 HG LEU B 67 4.922 -1.511 1.842 1.00 0.00 H new ATOM 0 HD11 LEU B 67 4.925 -2.680 -0.330 1.00 0.00 H new ATOM 0 HD12 LEU B 67 6.538 -2.688 0.423 1.00 0.00 H new ATOM 0 HD13 LEU B 67 5.527 -4.152 0.468 1.00 0.00 H new ATOM 0 HD21 LEU B 67 2.894 -2.675 1.070 1.00 0.00 H new ATOM 0 HD22 LEU B 67 3.425 -4.150 1.913 1.00 0.00 H new ATOM 0 HD23 LEU B 67 3.026 -2.688 2.845 1.00 0.00 H new ATOM 1820 N VAL B 68 5.263 -4.589 5.962 1.00 0.00 N ATOM 1821 CA VAL B 68 5.868 -5.441 6.973 1.00 0.00 C ATOM 1822 C VAL B 68 5.939 -6.877 6.472 1.00 0.00 C ATOM 1823 O VAL B 68 4.925 -7.579 6.394 1.00 0.00 O ATOM 1824 CB VAL B 68 5.077 -5.399 8.301 1.00 0.00 C ATOM 1825 CG1 VAL B 68 5.718 -6.305 9.346 1.00 0.00 C ATOM 1826 CG2 VAL B 68 4.970 -3.973 8.820 1.00 0.00 C ATOM 0 H VAL B 68 4.308 -4.844 5.711 1.00 0.00 H new ATOM 0 HA VAL B 68 6.873 -5.064 7.162 1.00 0.00 H new ATOM 0 HB VAL B 68 4.070 -5.768 8.105 1.00 0.00 H new ATOM 0 HG11 VAL B 68 5.143 -6.258 10.271 1.00 0.00 H new ATOM 0 HG12 VAL B 68 5.731 -7.331 8.979 1.00 0.00 H new ATOM 0 HG13 VAL B 68 6.739 -5.975 9.537 1.00 0.00 H new ATOM 0 HG21 VAL B 68 4.410 -3.967 9.755 1.00 0.00 H new ATOM 0 HG22 VAL B 68 5.969 -3.573 8.993 1.00 0.00 H new ATOM 0 HG23 VAL B 68 4.454 -3.356 8.084 1.00 0.00 H new ATOM 1836 N LEU B 69 7.133 -7.308 6.112 1.00 0.00 N ATOM 1837 CA LEU B 69 7.324 -8.656 5.620 1.00 0.00 C ATOM 1838 C LEU B 69 7.646 -9.573 6.789 1.00 0.00 C ATOM 1839 O LEU B 69 8.413 -9.202 7.677 1.00 0.00 O ATOM 1840 CB LEU B 69 8.437 -8.725 4.570 1.00 0.00 C ATOM 1841 CG LEU B 69 8.377 -7.668 3.461 1.00 0.00 C ATOM 1842 CD1 LEU B 69 9.052 -8.171 2.202 1.00 0.00 C ATOM 1843 CD2 LEU B 69 6.958 -7.260 3.135 1.00 0.00 C ATOM 0 H LEU B 69 7.982 -6.745 6.151 1.00 0.00 H new ATOM 0 HA LEU B 69 6.402 -8.979 5.136 1.00 0.00 H new ATOM 0 HB2 LEU B 69 9.397 -8.635 5.079 1.00 0.00 H new ATOM 0 HB3 LEU B 69 8.413 -9.711 4.107 1.00 0.00 H new ATOM 0 HG LEU B 69 8.905 -6.792 3.838 1.00 0.00 H new ATOM 0 HD11 LEU B 69 8.997 -7.405 1.429 1.00 0.00 H new ATOM 0 HD12 LEU B 69 10.097 -8.398 2.415 1.00 0.00 H new ATOM 0 HD13 LEU B 69 8.548 -9.073 1.855 1.00 0.00 H new ATOM 0 HD21 LEU B 69 6.968 -6.510 2.344 1.00 0.00 H new ATOM 0 HD22 LEU B 69 6.396 -8.132 2.801 1.00 0.00 H new ATOM 0 HD23 LEU B 69 6.486 -6.843 4.025 1.00 0.00 H new ATOM 1855 N HIS B 70 7.083 -10.773 6.782 1.00 0.00 N ATOM 1856 CA HIS B 70 7.313 -11.728 7.870 1.00 0.00 C ATOM 1857 C HIS B 70 8.730 -12.295 7.811 1.00 0.00 C ATOM 1858 O HIS B 70 9.124 -13.101 8.649 1.00 0.00 O ATOM 1859 CB HIS B 70 6.275 -12.862 7.840 1.00 0.00 C ATOM 1860 CG HIS B 70 5.947 -13.350 6.463 1.00 0.00 C ATOM 1861 ND1 HIS B 70 4.676 -13.402 5.945 1.00 0.00 N ATOM 1862 CD2 HIS B 70 6.763 -13.793 5.480 1.00 0.00 C ATOM 1863 CE1 HIS B 70 4.771 -13.862 4.693 1.00 0.00 C ATOM 1864 NE2 HIS B 70 6.014 -14.122 4.375 1.00 0.00 N ATOM 0 H HIS B 70 6.467 -11.112 6.043 1.00 0.00 H new ATOM 0 HA HIS B 70 7.200 -11.190 8.811 1.00 0.00 H new ATOM 0 HB2 HIS B 70 6.648 -13.698 8.432 1.00 0.00 H new ATOM 0 HB3 HIS B 70 5.359 -12.516 8.319 1.00 0.00 H new ATOM 0 HD1 HIS B 70 3.817 -13.138 6.427 1.00 0.00 H new ATOM 0 HD2 HIS B 70 7.837 -13.876 5.552 1.00 0.00 H new ATOM 0 HE1 HIS B 70 3.930 -14.001 4.029 1.00 0.00 H new ATOM 1872 N ALA B 71 9.487 -11.864 6.810 1.00 0.00 N ATOM 1873 CA ALA B 71 10.865 -12.300 6.642 1.00 0.00 C ATOM 1874 C ALA B 71 11.807 -11.392 7.426 1.00 0.00 C ATOM 1875 O ALA B 71 13.012 -11.629 7.480 1.00 0.00 O ATOM 1876 CB ALA B 71 11.239 -12.302 5.167 1.00 0.00 C ATOM 0 H ALA B 71 9.166 -11.208 6.098 1.00 0.00 H new ATOM 0 HA ALA B 71 10.960 -13.315 7.028 1.00 0.00 H new ATOM 0 HB1 ALA B 71 12.272 -12.630 5.054 1.00 0.00 H new ATOM 0 HB2 ALA B 71 10.581 -12.982 4.626 1.00 0.00 H new ATOM 0 HB3 ALA B 71 11.132 -11.295 4.763 1.00 0.00 H new ATOM 1882 N GLY B 72 11.243 -10.350 8.030 1.00 0.00 N ATOM 1883 CA GLY B 72 12.042 -9.416 8.800 1.00 0.00 C ATOM 1884 C GLY B 72 12.397 -8.180 8.003 1.00 0.00 C ATOM 1885 O GLY B 72 13.446 -7.576 8.215 1.00 0.00 O ATOM 0 H GLY B 72 10.246 -10.137 7.999 1.00 0.00 H new ATOM 0 HA2 GLY B 72 11.495 -9.124 9.696 1.00 0.00 H new ATOM 0 HA3 GLY B 72 12.956 -9.909 9.131 1.00 0.00 H new ATOM 1889 N ASP B 73 11.515 -7.802 7.087 1.00 0.00 N ATOM 1890 CA ASP B 73 11.736 -6.632 6.243 1.00 0.00 C ATOM 1891 C ASP B 73 10.570 -5.656 6.364 1.00 0.00 C ATOM 1892 O ASP B 73 9.432 -6.069 6.584 1.00 0.00 O ATOM 1893 CB ASP B 73 11.916 -7.055 4.781 1.00 0.00 C ATOM 1894 CG ASP B 73 11.992 -5.869 3.835 1.00 0.00 C ATOM 1895 OD1 ASP B 73 12.769 -4.934 4.117 1.00 0.00 O ATOM 1896 OD2 ASP B 73 11.271 -5.874 2.814 1.00 0.00 O ATOM 0 H ASP B 73 10.637 -8.289 6.908 1.00 0.00 H new ATOM 0 HA ASP B 73 12.645 -6.134 6.580 1.00 0.00 H new ATOM 0 HB2 ASP B 73 12.826 -7.648 4.688 1.00 0.00 H new ATOM 0 HB3 ASP B 73 11.085 -7.697 4.487 1.00 0.00 H new ATOM 1901 N THR B 74 10.860 -4.371 6.226 1.00 0.00 N ATOM 1902 CA THR B 74 9.848 -3.331 6.311 1.00 0.00 C ATOM 1903 C THR B 74 10.219 -2.163 5.402 1.00 0.00 C ATOM 1904 O THR B 74 11.351 -1.682 5.441 1.00 0.00 O ATOM 1905 CB THR B 74 9.686 -2.805 7.754 1.00 0.00 C ATOM 1906 OG1 THR B 74 10.973 -2.644 8.362 1.00 0.00 O ATOM 1907 CG2 THR B 74 8.835 -3.741 8.600 1.00 0.00 C ATOM 0 H THR B 74 11.802 -4.021 6.052 1.00 0.00 H new ATOM 0 HA THR B 74 8.903 -3.773 5.994 1.00 0.00 H new ATOM 0 HB THR B 74 9.179 -1.842 7.701 1.00 0.00 H new ATOM 0 HG1 THR B 74 11.622 -2.361 7.684 1.00 0.00 H new ATOM 0 HG21 THR B 74 8.743 -3.338 9.609 1.00 0.00 H new ATOM 0 HG22 THR B 74 7.844 -3.834 8.155 1.00 0.00 H new ATOM 0 HG23 THR B 74 9.307 -4.723 8.643 1.00 0.00 H new ATOM 1915 N THR B 75 9.273 -1.706 4.595 1.00 0.00 N ATOM 1916 CA THR B 75 9.526 -0.592 3.685 1.00 0.00 C ATOM 1917 C THR B 75 8.571 0.573 3.955 1.00 0.00 C ATOM 1918 O THR B 75 7.377 0.360 4.151 1.00 0.00 O ATOM 1919 CB THR B 75 9.367 -1.049 2.227 1.00 0.00 C ATOM 1920 OG1 THR B 75 9.704 -2.436 2.117 1.00 0.00 O ATOM 1921 CG2 THR B 75 10.250 -0.232 1.294 1.00 0.00 C ATOM 0 H THR B 75 8.327 -2.085 4.549 1.00 0.00 H new ATOM 0 HA THR B 75 10.548 -0.253 3.855 1.00 0.00 H new ATOM 0 HB THR B 75 8.328 -0.897 1.934 1.00 0.00 H new ATOM 0 HG1 THR B 75 8.929 -2.936 1.785 1.00 0.00 H new ATOM 0 HG21 THR B 75 10.116 -0.579 0.269 1.00 0.00 H new ATOM 0 HG22 THR B 75 9.974 0.820 1.360 1.00 0.00 H new ATOM 0 HG23 THR B 75 11.294 -0.352 1.583 1.00 0.00 H new ATOM 1929 N ASN B 76 9.090 1.795 3.964 1.00 0.00 N ATOM 1930 CA ASN B 76 8.265 2.977 4.210 1.00 0.00 C ATOM 1931 C ASN B 76 7.912 3.669 2.903 1.00 0.00 C ATOM 1932 O ASN B 76 8.766 4.285 2.272 1.00 0.00 O ATOM 1933 CB ASN B 76 8.992 3.981 5.106 1.00 0.00 C ATOM 1934 CG ASN B 76 8.864 3.683 6.580 1.00 0.00 C ATOM 1935 OD1 ASN B 76 8.814 4.737 7.373 1.00 0.00 O flip ATOM 1936 ND2 ASN B 76 8.796 2.529 7.005 1.00 0.00 N flip ATOM 0 H ASN B 76 10.077 1.996 3.804 1.00 0.00 H new ATOM 0 HA ASN B 76 7.357 2.636 4.707 1.00 0.00 H new ATOM 0 HB2 ASN B 76 10.048 3.995 4.838 1.00 0.00 H new ATOM 0 HB3 ASN B 76 8.600 4.979 4.911 1.00 0.00 H new ATOM 0 HD21 ASN B 76 8.839 1.743 6.356 1.00 0.00 H new ATOM 0 HD22 ASN B 76 8.697 2.359 8.006 1.00 0.00 H new ATOM 1943 N PHE B 77 6.660 3.570 2.491 1.00 0.00 N ATOM 1944 CA PHE B 77 6.224 4.209 1.262 1.00 0.00 C ATOM 1945 C PHE B 77 5.455 5.492 1.572 1.00 0.00 C ATOM 1946 O PHE B 77 4.293 5.457 1.975 1.00 0.00 O ATOM 1947 CB PHE B 77 5.369 3.249 0.431 1.00 0.00 C ATOM 1948 CG PHE B 77 6.171 2.183 -0.269 1.00 0.00 C ATOM 1949 CD1 PHE B 77 7.445 2.455 -0.746 1.00 0.00 C ATOM 1950 CD2 PHE B 77 5.651 0.911 -0.451 1.00 0.00 C ATOM 1951 CE1 PHE B 77 8.183 1.481 -1.390 1.00 0.00 C ATOM 1952 CE2 PHE B 77 6.386 -0.067 -1.095 1.00 0.00 C ATOM 1953 CZ PHE B 77 7.654 0.219 -1.565 1.00 0.00 C ATOM 0 H PHE B 77 5.931 3.056 2.986 1.00 0.00 H new ATOM 0 HA PHE B 77 7.105 4.472 0.676 1.00 0.00 H new ATOM 0 HB2 PHE B 77 4.636 2.772 1.081 1.00 0.00 H new ATOM 0 HB3 PHE B 77 4.813 3.821 -0.312 1.00 0.00 H new ATOM 0 HD1 PHE B 77 7.865 3.441 -0.612 1.00 0.00 H new ATOM 0 HD2 PHE B 77 4.661 0.681 -0.086 1.00 0.00 H new ATOM 0 HE1 PHE B 77 9.173 1.707 -1.756 1.00 0.00 H new ATOM 0 HE2 PHE B 77 5.970 -1.054 -1.231 1.00 0.00 H new ATOM 0 HZ PHE B 77 8.229 -0.544 -2.068 1.00 0.00 H new ATOM 1963 N HIS B 78 6.129 6.613 1.384 1.00 0.00 N ATOM 1964 CA HIS B 78 5.570 7.931 1.639 1.00 0.00 C ATOM 1965 C HIS B 78 4.887 8.487 0.390 1.00 0.00 C ATOM 1966 O HIS B 78 5.523 8.719 -0.634 1.00 0.00 O ATOM 1967 CB HIS B 78 6.714 8.840 2.135 1.00 0.00 C ATOM 1968 CG HIS B 78 6.524 10.330 2.011 1.00 0.00 C ATOM 1969 ND1 HIS B 78 7.571 11.220 2.081 1.00 0.00 N ATOM 1970 CD2 HIS B 78 5.411 11.082 1.810 1.00 0.00 C ATOM 1971 CE1 HIS B 78 7.079 12.452 1.921 1.00 0.00 C ATOM 1972 NE2 HIS B 78 5.773 12.425 1.751 1.00 0.00 N ATOM 0 H HIS B 78 7.091 6.635 1.046 1.00 0.00 H new ATOM 0 HA HIS B 78 4.796 7.878 2.404 1.00 0.00 H new ATOM 0 HB2 HIS B 78 6.894 8.610 3.185 1.00 0.00 H new ATOM 0 HB3 HIS B 78 7.618 8.570 1.590 1.00 0.00 H new ATOM 0 HD2 HIS B 78 4.406 10.699 1.712 1.00 0.00 H new ATOM 0 HE1 HIS B 78 7.675 13.353 1.930 1.00 0.00 H new ATOM 0 HE2 HIS B 78 5.155 13.223 1.606 1.00 0.00 H new ATOM 1980 N PHE B 79 3.587 8.702 0.486 1.00 0.00 N ATOM 1981 CA PHE B 79 2.818 9.238 -0.627 1.00 0.00 C ATOM 1982 C PHE B 79 2.952 10.757 -0.658 1.00 0.00 C ATOM 1983 O PHE B 79 2.197 11.468 0.001 1.00 0.00 O ATOM 1984 CB PHE B 79 1.345 8.836 -0.500 1.00 0.00 C ATOM 1985 CG PHE B 79 1.118 7.352 -0.587 1.00 0.00 C ATOM 1986 CD1 PHE B 79 1.257 6.546 0.534 1.00 0.00 C ATOM 1987 CD2 PHE B 79 0.768 6.762 -1.789 1.00 0.00 C ATOM 1988 CE1 PHE B 79 1.052 5.182 0.453 1.00 0.00 C ATOM 1989 CE2 PHE B 79 0.563 5.397 -1.874 1.00 0.00 C ATOM 1990 CZ PHE B 79 0.705 4.607 -0.753 1.00 0.00 C ATOM 0 H PHE B 79 3.039 8.514 1.325 1.00 0.00 H new ATOM 0 HA PHE B 79 3.207 8.827 -1.559 1.00 0.00 H new ATOM 0 HB2 PHE B 79 0.958 9.199 0.452 1.00 0.00 H new ATOM 0 HB3 PHE B 79 0.773 9.330 -1.286 1.00 0.00 H new ATOM 0 HD1 PHE B 79 1.528 6.990 1.480 1.00 0.00 H new ATOM 0 HD2 PHE B 79 0.654 7.375 -2.671 1.00 0.00 H new ATOM 0 HE1 PHE B 79 1.163 4.566 1.333 1.00 0.00 H new ATOM 0 HE2 PHE B 79 0.292 4.950 -2.819 1.00 0.00 H new ATOM 0 HZ PHE B 79 0.545 3.541 -0.818 1.00 0.00 H new ATOM 2000 N SER B 80 3.929 11.246 -1.412 1.00 0.00 N ATOM 2001 CA SER B 80 4.171 12.682 -1.502 1.00 0.00 C ATOM 2002 C SER B 80 3.335 13.335 -2.600 1.00 0.00 C ATOM 2003 O SER B 80 3.417 14.543 -2.812 1.00 0.00 O ATOM 2004 CB SER B 80 5.658 12.958 -1.735 1.00 0.00 C ATOM 2005 OG SER B 80 6.218 12.047 -2.667 1.00 0.00 O ATOM 0 H SER B 80 4.564 10.673 -1.968 1.00 0.00 H new ATOM 0 HA SER B 80 3.868 13.123 -0.552 1.00 0.00 H new ATOM 0 HB2 SER B 80 5.787 13.977 -2.099 1.00 0.00 H new ATOM 0 HB3 SER B 80 6.194 12.887 -0.789 1.00 0.00 H new ATOM 0 HG SER B 80 5.502 11.524 -3.084 1.00 0.00 H new ATOM 2011 N ASN B 81 2.534 12.542 -3.296 1.00 0.00 N ATOM 2012 CA ASN B 81 1.689 13.074 -4.354 1.00 0.00 C ATOM 2013 C ASN B 81 0.438 13.667 -3.726 1.00 0.00 C ATOM 2014 O ASN B 81 -0.557 12.982 -3.538 1.00 0.00 O ATOM 2015 CB ASN B 81 1.334 11.976 -5.365 1.00 0.00 C ATOM 2016 CG ASN B 81 0.576 12.490 -6.583 1.00 0.00 C ATOM 2017 OD1 ASN B 81 -0.080 11.717 -7.286 1.00 0.00 O ATOM 2018 ND2 ASN B 81 0.658 13.787 -6.851 1.00 0.00 N ATOM 0 H ASN B 81 2.452 11.536 -3.149 1.00 0.00 H new ATOM 0 HA ASN B 81 2.223 13.854 -4.897 1.00 0.00 H new ATOM 0 HB2 ASN B 81 2.251 11.489 -5.697 1.00 0.00 H new ATOM 0 HB3 ASN B 81 0.732 11.216 -4.867 1.00 0.00 H new ATOM 0 HD21 ASN B 81 0.170 14.173 -7.659 1.00 0.00 H new ATOM 0 HD22 ASN B 81 1.209 14.398 -6.249 1.00 0.00 H new ATOM 2025 N GLU B 82 0.514 14.954 -3.423 1.00 0.00 N ATOM 2026 CA GLU B 82 -0.563 15.705 -2.775 1.00 0.00 C ATOM 2027 C GLU B 82 -1.946 15.452 -3.389 1.00 0.00 C ATOM 2028 O GLU B 82 -2.942 15.353 -2.666 1.00 0.00 O ATOM 2029 CB GLU B 82 -0.236 17.210 -2.796 1.00 0.00 C ATOM 2030 CG GLU B 82 -0.246 17.862 -4.183 1.00 0.00 C ATOM 2031 CD GLU B 82 0.578 17.106 -5.213 1.00 0.00 C ATOM 2032 OE1 GLU B 82 1.814 17.065 -5.080 1.00 0.00 O ATOM 2033 OE2 GLU B 82 -0.025 16.507 -6.132 1.00 0.00 O ATOM 0 H GLU B 82 1.339 15.520 -3.622 1.00 0.00 H new ATOM 0 HA GLU B 82 -0.619 15.346 -1.747 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -0.955 17.730 -2.163 1.00 0.00 H new ATOM 0 HB3 GLU B 82 0.748 17.358 -2.350 1.00 0.00 H new ATOM 0 HG2 GLU B 82 -1.275 17.934 -4.535 1.00 0.00 H new ATOM 0 HG3 GLU B 82 0.135 18.880 -4.100 1.00 0.00 H new ATOM 2040 N SER B 83 -1.998 15.342 -4.708 1.00 0.00 N ATOM 2041 CA SER B 83 -3.244 15.121 -5.426 1.00 0.00 C ATOM 2042 C SER B 83 -4.030 13.916 -4.895 1.00 0.00 C ATOM 2043 O SER B 83 -5.238 14.016 -4.642 1.00 0.00 O ATOM 2044 CB SER B 83 -2.950 14.937 -6.916 1.00 0.00 C ATOM 2045 OG SER B 83 -2.273 16.064 -7.451 1.00 0.00 O ATOM 0 H SER B 83 -1.177 15.403 -5.311 1.00 0.00 H new ATOM 0 HA SER B 83 -3.869 16.000 -5.270 1.00 0.00 H new ATOM 0 HB2 SER B 83 -2.344 14.043 -7.062 1.00 0.00 H new ATOM 0 HB3 SER B 83 -3.884 14.780 -7.456 1.00 0.00 H new ATOM 0 HG SER B 83 -1.349 16.077 -7.124 1.00 0.00 H new ATOM 2051 N THR B 84 -3.362 12.786 -4.708 1.00 0.00 N ATOM 2052 CA THR B 84 -4.045 11.585 -4.246 1.00 0.00 C ATOM 2053 C THR B 84 -3.303 10.862 -3.121 1.00 0.00 C ATOM 2054 O THR B 84 -3.554 9.691 -2.888 1.00 0.00 O ATOM 2055 CB THR B 84 -4.235 10.610 -5.422 1.00 0.00 C ATOM 2056 OG1 THR B 84 -3.160 10.770 -6.357 1.00 0.00 O ATOM 2057 CG2 THR B 84 -5.563 10.850 -6.124 1.00 0.00 C ATOM 0 H THR B 84 -2.361 12.675 -4.867 1.00 0.00 H new ATOM 0 HA THR B 84 -5.005 11.911 -3.847 1.00 0.00 H new ATOM 0 HB THR B 84 -4.235 9.594 -5.028 1.00 0.00 H new ATOM 0 HG1 THR B 84 -2.328 10.441 -5.958 1.00 0.00 H new ATOM 0 HG21 THR B 84 -5.670 10.147 -6.950 1.00 0.00 H new ATOM 0 HG22 THR B 84 -6.380 10.706 -5.417 1.00 0.00 H new ATOM 0 HG23 THR B 84 -5.592 11.869 -6.509 1.00 0.00 H new ATOM 2065 N ALA B 85 -2.437 11.570 -2.403 1.00 0.00 N ATOM 2066 CA ALA B 85 -1.638 10.981 -1.320 1.00 0.00 C ATOM 2067 C ALA B 85 -2.454 10.090 -0.385 1.00 0.00 C ATOM 2068 O ALA B 85 -2.243 8.879 -0.319 1.00 0.00 O ATOM 2069 CB ALA B 85 -0.964 12.082 -0.518 1.00 0.00 C ATOM 0 H ALA B 85 -2.265 12.565 -2.550 1.00 0.00 H new ATOM 0 HA ALA B 85 -0.892 10.343 -1.794 1.00 0.00 H new ATOM 0 HB1 ALA B 85 -0.373 11.639 0.284 1.00 0.00 H new ATOM 0 HB2 ALA B 85 -0.312 12.661 -1.172 1.00 0.00 H new ATOM 0 HB3 ALA B 85 -1.723 12.737 -0.090 1.00 0.00 H new ATOM 2075 N VAL B 86 -3.385 10.698 0.333 1.00 0.00 N ATOM 2076 CA VAL B 86 -4.225 9.974 1.279 1.00 0.00 C ATOM 2077 C VAL B 86 -5.086 8.926 0.580 1.00 0.00 C ATOM 2078 O VAL B 86 -5.208 7.792 1.041 1.00 0.00 O ATOM 2079 CB VAL B 86 -5.149 10.938 2.048 1.00 0.00 C ATOM 2080 CG1 VAL B 86 -5.748 10.248 3.258 1.00 0.00 C ATOM 2081 CG2 VAL B 86 -4.400 12.196 2.460 1.00 0.00 C ATOM 0 H VAL B 86 -3.580 11.698 0.279 1.00 0.00 H new ATOM 0 HA VAL B 86 -3.552 9.475 1.976 1.00 0.00 H new ATOM 0 HB VAL B 86 -5.961 11.233 1.384 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -6.398 10.944 3.789 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -6.329 9.384 2.934 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -4.949 9.919 3.922 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -5.074 12.860 3.001 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -3.562 11.926 3.103 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -4.026 12.704 1.571 1.00 0.00 H new ATOM 2091 N LYS B 87 -5.651 9.315 -0.553 1.00 0.00 N ATOM 2092 CA LYS B 87 -6.533 8.448 -1.322 1.00 0.00 C ATOM 2093 C LYS B 87 -5.814 7.188 -1.806 1.00 0.00 C ATOM 2094 O LYS B 87 -6.313 6.076 -1.633 1.00 0.00 O ATOM 2095 CB LYS B 87 -7.099 9.221 -2.515 1.00 0.00 C ATOM 2096 CG LYS B 87 -7.754 10.540 -2.128 1.00 0.00 C ATOM 2097 CD LYS B 87 -7.528 11.604 -3.191 1.00 0.00 C ATOM 2098 CE LYS B 87 -8.063 12.960 -2.755 1.00 0.00 C ATOM 2099 NZ LYS B 87 -7.798 14.015 -3.774 1.00 0.00 N ATOM 0 H LYS B 87 -5.512 10.238 -0.965 1.00 0.00 H new ATOM 0 HA LYS B 87 -7.345 8.130 -0.668 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -6.295 9.418 -3.225 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -7.831 8.597 -3.028 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -8.824 10.388 -1.984 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -7.350 10.883 -1.176 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -6.462 11.685 -3.404 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -8.016 11.302 -4.118 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -9.136 12.887 -2.578 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -7.603 13.245 -1.809 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -7.757 14.944 -3.309 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -6.891 13.823 -4.245 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -8.561 14.015 -4.480 1.00 0.00 H new ATOM 2113 N GLU B 88 -4.643 7.367 -2.400 1.00 0.00 N ATOM 2114 CA GLU B 88 -3.865 6.250 -2.914 1.00 0.00 C ATOM 2115 C GLU B 88 -3.383 5.360 -1.777 1.00 0.00 C ATOM 2116 O GLU B 88 -3.326 4.144 -1.926 1.00 0.00 O ATOM 2117 CB GLU B 88 -2.680 6.748 -3.748 1.00 0.00 C ATOM 2118 CG GLU B 88 -3.100 7.370 -5.070 1.00 0.00 C ATOM 2119 CD GLU B 88 -1.935 7.882 -5.895 1.00 0.00 C ATOM 2120 OE1 GLU B 88 -1.426 8.983 -5.605 1.00 0.00 O ATOM 2121 OE2 GLU B 88 -1.544 7.208 -6.869 1.00 0.00 O ATOM 0 H GLU B 88 -4.209 8.280 -2.538 1.00 0.00 H new ATOM 0 HA GLU B 88 -4.512 5.658 -3.562 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -2.120 7.483 -3.170 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -2.005 5.914 -3.944 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -3.650 6.630 -5.652 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -3.785 8.194 -4.873 1.00 0.00 H new ATOM 2128 N ARG B 89 -3.064 5.966 -0.636 1.00 0.00 N ATOM 2129 CA ARG B 89 -2.598 5.211 0.525 1.00 0.00 C ATOM 2130 C ARG B 89 -3.606 4.139 0.915 1.00 0.00 C ATOM 2131 O ARG B 89 -3.253 2.975 1.095 1.00 0.00 O ATOM 2132 CB ARG B 89 -2.362 6.129 1.729 1.00 0.00 C ATOM 2133 CG ARG B 89 -1.964 5.368 2.990 1.00 0.00 C ATOM 2134 CD ARG B 89 -2.306 6.138 4.256 1.00 0.00 C ATOM 2135 NE ARG B 89 -3.703 5.966 4.665 1.00 0.00 N ATOM 2136 CZ ARG B 89 -4.103 5.923 5.939 1.00 0.00 C ATOM 2137 NH1 ARG B 89 -3.231 6.104 6.922 1.00 0.00 N ATOM 2138 NH2 ARG B 89 -5.381 5.723 6.226 1.00 0.00 N ATOM 0 H ARG B 89 -3.119 6.974 -0.490 1.00 0.00 H new ATOM 0 HA ARG B 89 -1.655 4.742 0.243 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -1.580 6.848 1.483 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -3.269 6.700 1.927 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -2.471 4.403 3.005 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -0.893 5.166 2.968 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -1.652 5.809 5.064 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -2.107 7.198 4.096 1.00 0.00 H new ATOM 0 HE ARG B 89 -4.410 5.874 3.936 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -2.249 6.277 6.707 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -3.542 6.070 7.893 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -6.060 5.602 5.474 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -5.686 5.690 7.199 1.00 0.00 H new ATOM 2152 N ASP B 90 -4.863 4.537 1.030 1.00 0.00 N ATOM 2153 CA ASP B 90 -5.916 3.613 1.422 1.00 0.00 C ATOM 2154 C ASP B 90 -6.290 2.654 0.304 1.00 0.00 C ATOM 2155 O ASP B 90 -6.693 1.525 0.574 1.00 0.00 O ATOM 2156 CB ASP B 90 -7.145 4.369 1.912 1.00 0.00 C ATOM 2157 CG ASP B 90 -7.082 4.610 3.402 1.00 0.00 C ATOM 2158 OD1 ASP B 90 -7.574 3.750 4.162 1.00 0.00 O ATOM 2159 OD2 ASP B 90 -6.504 5.632 3.818 1.00 0.00 O ATOM 0 H ASP B 90 -5.179 5.491 0.858 1.00 0.00 H new ATOM 0 HA ASP B 90 -5.522 3.013 2.242 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -7.220 5.323 1.390 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -8.044 3.802 1.671 1.00 0.00 H new ATOM 2164 N ALA B 91 -6.119 3.076 -0.941 1.00 0.00 N ATOM 2165 CA ALA B 91 -6.451 2.223 -2.069 1.00 0.00 C ATOM 2166 C ALA B 91 -5.413 1.127 -2.171 1.00 0.00 C ATOM 2167 O ALA B 91 -5.729 -0.037 -2.416 1.00 0.00 O ATOM 2168 CB ALA B 91 -6.523 3.022 -3.358 1.00 0.00 C ATOM 0 H ALA B 91 -5.756 3.995 -1.192 1.00 0.00 H new ATOM 0 HA ALA B 91 -7.435 1.782 -1.910 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -6.773 2.357 -4.185 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -7.289 3.792 -3.267 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -5.558 3.492 -3.549 1.00 0.00 H new ATOM 2174 N VAL B 92 -4.166 1.522 -1.966 1.00 0.00 N ATOM 2175 CA VAL B 92 -3.056 0.597 -1.980 1.00 0.00 C ATOM 2176 C VAL B 92 -3.183 -0.339 -0.788 1.00 0.00 C ATOM 2177 O VAL B 92 -2.998 -1.545 -0.910 1.00 0.00 O ATOM 2178 CB VAL B 92 -1.709 1.348 -1.922 1.00 0.00 C ATOM 2179 CG1 VAL B 92 -0.565 0.395 -1.655 1.00 0.00 C ATOM 2180 CG2 VAL B 92 -1.466 2.110 -3.211 1.00 0.00 C ATOM 0 H VAL B 92 -3.901 2.490 -1.786 1.00 0.00 H new ATOM 0 HA VAL B 92 -3.080 0.026 -2.908 1.00 0.00 H new ATOM 0 HB VAL B 92 -1.760 2.060 -1.098 1.00 0.00 H new ATOM 0 HG11 VAL B 92 0.371 0.952 -1.619 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -0.725 -0.107 -0.701 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -0.516 -0.347 -2.452 1.00 0.00 H new ATOM 0 HG21 VAL B 92 -0.511 2.633 -3.150 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -1.445 1.412 -4.048 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -2.267 2.834 -3.362 1.00 0.00 H new ATOM 2190 N LYS B 93 -3.532 0.247 0.356 1.00 0.00 N ATOM 2191 CA LYS B 93 -3.726 -0.493 1.598 1.00 0.00 C ATOM 2192 C LYS B 93 -4.694 -1.644 1.380 1.00 0.00 C ATOM 2193 O LYS B 93 -4.380 -2.806 1.641 1.00 0.00 O ATOM 2194 CB LYS B 93 -4.285 0.452 2.668 1.00 0.00 C ATOM 2195 CG LYS B 93 -4.498 -0.194 4.027 1.00 0.00 C ATOM 2196 CD LYS B 93 -5.930 -0.685 4.219 1.00 0.00 C ATOM 2197 CE LYS B 93 -6.860 0.427 4.685 1.00 0.00 C ATOM 2198 NZ LYS B 93 -7.440 1.190 3.549 1.00 0.00 N ATOM 0 H LYS B 93 -3.688 1.251 0.446 1.00 0.00 H new ATOM 0 HA LYS B 93 -2.768 -0.897 1.926 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -3.603 1.295 2.783 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -5.235 0.856 2.318 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -3.811 -1.033 4.139 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -4.255 0.524 4.810 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -6.300 -1.097 3.280 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -5.940 -1.495 4.948 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -7.666 -0.002 5.281 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -6.311 1.108 5.335 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -7.941 2.026 3.912 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -6.678 1.494 2.910 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -8.107 0.585 3.029 1.00 0.00 H new ATOM 2212 N ASP B 94 -5.874 -1.287 0.905 1.00 0.00 N ATOM 2213 CA ASP B 94 -6.931 -2.251 0.632 1.00 0.00 C ATOM 2214 C ASP B 94 -6.488 -3.290 -0.379 1.00 0.00 C ATOM 2215 O ASP B 94 -6.532 -4.483 -0.096 1.00 0.00 O ATOM 2216 CB ASP B 94 -8.190 -1.539 0.135 1.00 0.00 C ATOM 2217 CG ASP B 94 -9.133 -1.175 1.264 1.00 0.00 C ATOM 2218 OD1 ASP B 94 -8.898 -0.145 1.933 1.00 0.00 O ATOM 2219 OD2 ASP B 94 -10.104 -1.923 1.485 1.00 0.00 O ATOM 0 H ASP B 94 -6.129 -0.322 0.697 1.00 0.00 H new ATOM 0 HA ASP B 94 -7.157 -2.764 1.566 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -7.904 -0.634 -0.402 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -8.710 -2.181 -0.576 1.00 0.00 H new ATOM 2224 N LEU B 95 -6.040 -2.834 -1.545 1.00 0.00 N ATOM 2225 CA LEU B 95 -5.592 -3.739 -2.597 1.00 0.00 C ATOM 2226 C LEU B 95 -4.548 -4.709 -2.062 1.00 0.00 C ATOM 2227 O LEU B 95 -4.663 -5.922 -2.241 1.00 0.00 O ATOM 2228 CB LEU B 95 -5.023 -2.949 -3.779 1.00 0.00 C ATOM 2229 CG LEU B 95 -4.966 -3.715 -5.103 1.00 0.00 C ATOM 2230 CD1 LEU B 95 -6.355 -4.179 -5.514 1.00 0.00 C ATOM 2231 CD2 LEU B 95 -4.350 -2.852 -6.193 1.00 0.00 C ATOM 0 H LEU B 95 -5.978 -1.844 -1.784 1.00 0.00 H new ATOM 0 HA LEU B 95 -6.453 -4.312 -2.942 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -5.626 -2.052 -3.921 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -4.016 -2.618 -3.524 1.00 0.00 H new ATOM 0 HG LEU B 95 -4.337 -4.594 -4.962 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -6.293 -4.721 -6.457 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -6.762 -4.835 -4.744 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -7.007 -3.314 -5.635 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -4.318 -3.413 -7.127 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -4.952 -1.954 -6.330 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -3.338 -2.569 -5.905 1.00 0.00 H new ATOM 2243 N LEU B 96 -3.558 -4.169 -1.370 1.00 0.00 N ATOM 2244 CA LEU B 96 -2.493 -4.976 -0.807 1.00 0.00 C ATOM 2245 C LEU B 96 -3.019 -5.970 0.221 1.00 0.00 C ATOM 2246 O LEU B 96 -2.774 -7.162 0.093 1.00 0.00 O ATOM 2247 CB LEU B 96 -1.421 -4.089 -0.174 1.00 0.00 C ATOM 2248 CG LEU B 96 -0.286 -3.665 -1.110 1.00 0.00 C ATOM 2249 CD1 LEU B 96 0.602 -2.633 -0.437 1.00 0.00 C ATOM 2250 CD2 LEU B 96 0.538 -4.871 -1.529 1.00 0.00 C ATOM 0 H LEU B 96 -3.472 -3.170 -1.185 1.00 0.00 H new ATOM 0 HA LEU B 96 -2.050 -5.543 -1.626 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -1.900 -3.192 0.219 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -0.990 -4.618 0.676 1.00 0.00 H new ATOM 0 HG LEU B 96 -0.727 -3.218 -2.001 1.00 0.00 H new ATOM 0 HD11 LEU B 96 1.403 -2.343 -1.117 1.00 0.00 H new ATOM 0 HD12 LEU B 96 0.009 -1.755 -0.180 1.00 0.00 H new ATOM 0 HD13 LEU B 96 1.032 -3.059 0.470 1.00 0.00 H new ATOM 0 HD21 LEU B 96 1.340 -4.550 -2.194 1.00 0.00 H new ATOM 0 HD22 LEU B 96 0.967 -5.344 -0.645 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -0.101 -5.585 -2.049 1.00 0.00 H new ATOM 2262 N GLN B 97 -3.776 -5.503 1.218 1.00 0.00 N ATOM 2263 CA GLN B 97 -4.267 -6.410 2.257 1.00 0.00 C ATOM 2264 C GLN B 97 -5.280 -7.408 1.718 1.00 0.00 C ATOM 2265 O GLN B 97 -5.403 -8.496 2.262 1.00 0.00 O ATOM 2266 CB GLN B 97 -4.814 -5.662 3.487 1.00 0.00 C ATOM 2267 CG GLN B 97 -6.205 -5.071 3.353 1.00 0.00 C ATOM 2268 CD GLN B 97 -6.744 -4.564 4.687 1.00 0.00 C ATOM 2269 OE1 GLN B 97 -6.291 -5.156 5.798 1.00 0.00 O flip ATOM 2270 NE2 GLN B 97 -7.546 -3.637 4.728 1.00 0.00 N flip ATOM 0 H GLN B 97 -4.056 -4.528 1.327 1.00 0.00 H new ATOM 0 HA GLN B 97 -3.399 -6.978 2.593 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -4.815 -6.350 4.333 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -4.122 -4.856 3.732 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -6.182 -4.250 2.636 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -6.882 -5.825 2.952 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -7.872 -3.206 3.863 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -7.886 -3.297 5.627 1.00 0.00 H new ATOM 2279 N GLN B 98 -5.978 -7.061 0.648 1.00 0.00 N ATOM 2280 CA GLN B 98 -6.956 -7.970 0.060 1.00 0.00 C ATOM 2281 C GLN B 98 -6.258 -9.129 -0.645 1.00 0.00 C ATOM 2282 O GLN B 98 -6.700 -10.277 -0.570 1.00 0.00 O ATOM 2283 CB GLN B 98 -7.855 -7.229 -0.933 1.00 0.00 C ATOM 2284 CG GLN B 98 -8.957 -6.420 -0.269 1.00 0.00 C ATOM 2285 CD GLN B 98 -9.636 -5.458 -1.225 1.00 0.00 C ATOM 2286 OE1 GLN B 98 -9.734 -5.718 -2.423 1.00 0.00 O ATOM 2287 NE2 GLN B 98 -10.107 -4.335 -0.701 1.00 0.00 N ATOM 0 H GLN B 98 -5.889 -6.164 0.170 1.00 0.00 H new ATOM 0 HA GLN B 98 -7.572 -8.366 0.867 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -7.241 -6.563 -1.539 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -8.306 -7.953 -1.612 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -9.702 -7.100 0.145 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -8.537 -5.860 0.566 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -10.006 -4.157 0.298 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -10.571 -3.649 -1.297 1.00 0.00 H new ATOM 2296 N LEU B 99 -5.164 -8.827 -1.330 1.00 0.00 N ATOM 2297 CA LEU B 99 -4.415 -9.842 -2.061 1.00 0.00 C ATOM 2298 C LEU B 99 -3.363 -10.521 -1.182 1.00 0.00 C ATOM 2299 O LEU B 99 -2.939 -11.641 -1.463 1.00 0.00 O ATOM 2300 CB LEU B 99 -3.748 -9.213 -3.279 1.00 0.00 C ATOM 2301 CG LEU B 99 -4.710 -8.504 -4.228 1.00 0.00 C ATOM 2302 CD1 LEU B 99 -4.000 -7.386 -4.980 1.00 0.00 C ATOM 2303 CD2 LEU B 99 -5.327 -9.495 -5.201 1.00 0.00 C ATOM 0 H LEU B 99 -4.774 -7.887 -1.395 1.00 0.00 H new ATOM 0 HA LEU B 99 -5.120 -10.609 -2.381 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -2.999 -8.498 -2.939 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -3.219 -9.990 -3.831 1.00 0.00 H new ATOM 0 HG LEU B 99 -5.510 -8.061 -3.635 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -4.704 -6.894 -5.651 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -3.609 -6.659 -4.268 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -3.177 -7.803 -5.561 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -6.010 -8.971 -5.870 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -4.539 -9.969 -5.786 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -5.875 -10.256 -4.646 1.00 0.00 H new ATOM 2315 N LEU B 100 -2.963 -9.836 -0.115 1.00 0.00 N ATOM 2316 CA LEU B 100 -1.942 -10.331 0.815 1.00 0.00 C ATOM 2317 C LEU B 100 -2.122 -11.788 1.250 1.00 0.00 C ATOM 2318 O LEU B 100 -1.192 -12.584 1.122 1.00 0.00 O ATOM 2319 CB LEU B 100 -1.856 -9.436 2.053 1.00 0.00 C ATOM 2320 CG LEU B 100 -0.854 -8.300 1.923 1.00 0.00 C ATOM 2321 CD1 LEU B 100 -0.699 -7.545 3.235 1.00 0.00 C ATOM 2322 CD2 LEU B 100 0.472 -8.857 1.458 1.00 0.00 C ATOM 0 H LEU B 100 -3.336 -8.920 0.133 1.00 0.00 H new ATOM 0 HA LEU B 100 -1.011 -10.295 0.250 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -2.842 -9.017 2.255 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -1.587 -10.048 2.914 1.00 0.00 H new ATOM 0 HG LEU B 100 -1.223 -7.587 1.186 1.00 0.00 H new ATOM 0 HD11 LEU B 100 0.024 -6.739 3.108 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -1.661 -7.126 3.529 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -0.349 -8.228 4.009 1.00 0.00 H new ATOM 0 HD21 LEU B 100 1.194 -8.046 1.363 1.00 0.00 H new ATOM 0 HD22 LEU B 100 0.836 -9.584 2.184 1.00 0.00 H new ATOM 0 HD23 LEU B 100 0.343 -9.343 0.491 1.00 0.00 H new ATOM 2334 N PRO B 101 -3.293 -12.176 1.783 1.00 0.00 N ATOM 2335 CA PRO B 101 -3.501 -13.542 2.245 1.00 0.00 C ATOM 2336 C PRO B 101 -3.813 -14.518 1.113 1.00 0.00 C ATOM 2337 O PRO B 101 -3.841 -15.729 1.319 1.00 0.00 O ATOM 2338 CB PRO B 101 -4.668 -13.402 3.212 1.00 0.00 C ATOM 2339 CG PRO B 101 -5.451 -12.231 2.724 1.00 0.00 C ATOM 2340 CD PRO B 101 -4.494 -11.342 1.976 1.00 0.00 C ATOM 0 HA PRO B 101 -2.606 -13.964 2.702 1.00 0.00 H new ATOM 0 HB2 PRO B 101 -5.278 -14.305 3.224 1.00 0.00 H new ATOM 0 HB3 PRO B 101 -4.316 -13.242 4.231 1.00 0.00 H new ATOM 0 HG2 PRO B 101 -6.264 -12.555 2.075 1.00 0.00 H new ATOM 0 HG3 PRO B 101 -5.903 -11.695 3.558 1.00 0.00 H new ATOM 0 HD2 PRO B 101 -4.913 -11.021 1.022 1.00 0.00 H new ATOM 0 HD3 PRO B 101 -4.264 -10.440 2.543 1.00 0.00 H new ATOM 2348 N LYS B 102 -4.017 -13.992 -0.089 1.00 0.00 N ATOM 2349 CA LYS B 102 -4.310 -14.831 -1.249 1.00 0.00 C ATOM 2350 C LYS B 102 -3.031 -15.499 -1.735 1.00 0.00 C ATOM 2351 O LYS B 102 -3.061 -16.499 -2.457 1.00 0.00 O ATOM 2352 CB LYS B 102 -4.920 -13.999 -2.379 1.00 0.00 C ATOM 2353 CG LYS B 102 -6.323 -13.495 -2.092 1.00 0.00 C ATOM 2354 CD LYS B 102 -6.769 -12.492 -3.144 1.00 0.00 C ATOM 2355 CE LYS B 102 -8.258 -12.199 -3.053 1.00 0.00 C ATOM 2356 NZ LYS B 102 -8.665 -11.769 -1.691 1.00 0.00 N ATOM 0 H LYS B 102 -3.986 -12.992 -0.287 1.00 0.00 H new ATOM 0 HA LYS B 102 -5.031 -15.593 -0.953 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -4.272 -13.145 -2.577 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -4.941 -14.600 -3.288 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -7.017 -14.335 -2.068 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -6.352 -13.030 -1.106 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -6.209 -11.565 -3.022 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -6.535 -12.878 -4.136 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -8.517 -11.420 -3.770 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -8.819 -13.090 -3.333 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -9.529 -11.194 -1.752 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -8.847 -12.607 -1.102 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -7.903 -11.205 -1.263 1.00 0.00 H new ATOM 2370 N PHE B 103 -1.907 -14.930 -1.333 1.00 0.00 N ATOM 2371 CA PHE B 103 -0.603 -15.445 -1.709 1.00 0.00 C ATOM 2372 C PHE B 103 0.086 -16.079 -0.515 1.00 0.00 C ATOM 2373 O PHE B 103 1.277 -16.365 -0.551 1.00 0.00 O ATOM 2374 CB PHE B 103 0.245 -14.325 -2.311 1.00 0.00 C ATOM 2375 CG PHE B 103 -0.228 -13.923 -3.678 1.00 0.00 C ATOM 2376 CD1 PHE B 103 -1.304 -13.064 -3.828 1.00 0.00 C ATOM 2377 CD2 PHE B 103 0.386 -14.427 -4.812 1.00 0.00 C ATOM 2378 CE1 PHE B 103 -1.758 -12.713 -5.082 1.00 0.00 C ATOM 2379 CE2 PHE B 103 -0.067 -14.081 -6.070 1.00 0.00 C ATOM 2380 CZ PHE B 103 -1.140 -13.223 -6.206 1.00 0.00 C ATOM 0 H PHE B 103 -1.873 -14.101 -0.739 1.00 0.00 H new ATOM 0 HA PHE B 103 -0.731 -16.221 -2.464 1.00 0.00 H new ATOM 0 HB2 PHE B 103 0.219 -13.458 -1.651 1.00 0.00 H new ATOM 0 HB3 PHE B 103 1.284 -14.650 -2.370 1.00 0.00 H new ATOM 0 HD1 PHE B 103 -1.793 -12.664 -2.952 1.00 0.00 H new ATOM 0 HD2 PHE B 103 1.227 -15.097 -4.712 1.00 0.00 H new ATOM 0 HE1 PHE B 103 -2.596 -12.040 -5.185 1.00 0.00 H new ATOM 0 HE2 PHE B 103 0.418 -14.482 -6.948 1.00 0.00 H new ATOM 0 HZ PHE B 103 -1.495 -12.952 -7.189 1.00 0.00 H new