USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=27 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= -0.284 K(o=-0.28,f=-1.7) USER MOD Set 1.2: B 75 THR OG1 : rot 170:sc= 0 USER MOD Set 2.1: B 66 GLN : amide:sc= -3.96! C(o=-7!,f=-8.8!) USER MOD Set 2.2: B 76 ASN : amide:sc= -3.07! C(o=-7!,f=-9.6!) USER MOD Set 3.1: B 56 SER OG : rot 120:sc= -0.491 USER MOD Set 3.2: B 62 LYS NZ :NH3+ -133:sc= 1.27 (180deg=0) USER MOD Set 3.3: B 64 GLN : amide:sc= -2.12! C(o=-1.3!,f=-11!) USER MOD Set 4.1: B 17 GLN :FLIP amide:sc= -0.709 F(o=-2.3!,f=-0.71) USER MOD Set 4.2: B 20 GLN :FLIP amide:sc= 0 F(o=-2.3,f=-0.71) USER MOD Set 5.1: B 14 LYS NZ :NH3+ -158:sc= 1.06 (180deg=-0.889!) USER MOD Set 5.2: B 81 ASN : amide:sc= 0.58! C(o=1.6!,f=-8.3!) USER MOD Single : B 13 LYS NZ :NH3+ -137:sc= -2.73 (180deg=-6.09!) USER MOD Single : B 18 LYS NZ :NH3+ 173:sc= -0.34 (180deg=-0.457) USER MOD Single : B 19 LYS NZ :NH3+ -161:sc= -1.63! (180deg=-1.82!) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 MET CE :methyl -117:sc= -1.33 (180deg=-4.45!) USER MOD Single : B 44 SER OG : rot 115:sc= -0.0449 USER MOD Single : B 46 MET CE :methyl -137:sc= -0.0809 (180deg=-0.506) USER MOD Single : B 47 TYR OH : rot 160:sc= 1.23 USER MOD Single : B 51 LYS NZ :NH3+ 151:sc= 2.98 (180deg=1.03) USER MOD Single : B 52 CYS SG : rot -173:sc= -3.78! USER MOD Single : B 53 GLN : amide:sc= -4.93! C(o=-4.9!,f=-14!) USER MOD Single : B 54 LYS NZ :NH3+ -144:sc= 1.1 (180deg=0.765) USER MOD Single : B 60 LYS NZ :NH3+ -148:sc= -0.471! (180deg=-3.84!) USER MOD Single : B 70 HIS : no HD1:sc= -5.96! C(o=-6!,f=-9.1!) USER MOD Single : B 74 THR OG1 : rot 180:sc= 0 USER MOD Single : B 78 HIS : no HE2:sc= -3.43 X(o=-3.4,f=-3) USER MOD Single : B 80 SER OG : rot 20:sc= -0.927! USER MOD Single : B 83 SER OG : rot 58:sc= 0.931 USER MOD Single : B 84 THR OG1 : rot 44:sc= 1.3 USER MOD Single : B 87 LYS NZ :NH3+ -143:sc= 2.38 (180deg=0.565) USER MOD Single : B 93 LYS NZ :NH3+ 159:sc= 0.249 (180deg=-0.665!) USER MOD Single : B 97 GLN :FLIP amide:sc= -2.5 F(o=-3.4!,f=-2.5) USER MOD Single : B 98 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.23) USER MOD Single : B 102 LYS NZ :NH3+ 162:sc= 1.29 (180deg=1.06) USER MOD ----------------------------------------------------------------- ATOM 339 N ASP A 132 4.160 5.053 13.770 1.00 0.00 N ATOM 340 CA ASP A 132 2.766 5.420 13.955 1.00 0.00 C ATOM 341 C ASP A 132 2.020 5.159 12.679 1.00 0.00 C ATOM 342 O ASP A 132 1.908 6.019 11.802 1.00 0.00 O ATOM 343 CB ASP A 132 2.626 6.868 14.346 1.00 0.00 C ATOM 344 CG ASP A 132 1.182 7.316 14.508 1.00 0.00 C ATOM 345 OD1 ASP A 132 0.320 6.472 14.804 1.00 0.00 O ATOM 346 OD2 ASP A 132 0.923 8.530 14.327 1.00 0.00 O ATOM 0 HA ASP A 132 2.350 4.818 14.763 1.00 0.00 H new ATOM 0 HB2 ASP A 132 3.157 7.036 15.283 1.00 0.00 H new ATOM 0 HB3 ASP A 132 3.108 7.488 13.590 1.00 0.00 H new ATOM 351 N TRP A 133 1.586 3.939 12.557 1.00 0.00 N ATOM 352 CA TRP A 133 0.849 3.503 11.401 1.00 0.00 C ATOM 353 C TRP A 133 -0.363 2.701 11.837 1.00 0.00 C ATOM 354 O TRP A 133 -0.273 1.894 12.761 1.00 0.00 O ATOM 355 CB TRP A 133 1.711 2.594 10.512 1.00 0.00 C ATOM 356 CG TRP A 133 3.131 3.024 10.238 1.00 0.00 C ATOM 357 CD1 TRP A 133 4.212 2.920 11.068 1.00 0.00 C ATOM 358 CD2 TRP A 133 3.635 3.556 9.012 1.00 0.00 C ATOM 359 NE1 TRP A 133 5.338 3.379 10.430 1.00 0.00 N ATOM 360 CE2 TRP A 133 5.007 3.781 9.179 1.00 0.00 C ATOM 361 CE3 TRP A 133 3.059 3.879 7.796 1.00 0.00 C ATOM 362 CZ2 TRP A 133 5.807 4.306 8.174 1.00 0.00 C ATOM 363 CZ3 TRP A 133 3.855 4.400 6.802 1.00 0.00 C ATOM 364 CH2 TRP A 133 5.215 4.611 6.996 1.00 0.00 C ATOM 0 H TRP A 133 1.732 3.213 13.258 1.00 0.00 H new ATOM 0 HA TRP A 133 0.550 4.391 10.844 1.00 0.00 H new ATOM 0 HB2 TRP A 133 1.742 1.607 10.973 1.00 0.00 H new ATOM 0 HB3 TRP A 133 1.203 2.483 9.554 1.00 0.00 H new ATOM 0 HD1 TRP A 133 4.185 2.534 12.076 1.00 0.00 H new ATOM 0 HE1 TRP A 133 6.274 3.412 10.833 1.00 0.00 H new ATOM 0 HE3 TRP A 133 2.003 3.725 7.630 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 6.864 4.465 8.327 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 3.413 4.651 5.849 1.00 0.00 H new ATOM 0 HH2 TRP A 133 5.808 5.025 6.194 1.00 0.00 H new ATOM 375 N GLU A 134 -1.486 2.919 11.169 1.00 0.00 N ATOM 376 CA GLU A 134 -2.677 2.145 11.434 1.00 0.00 C ATOM 377 C GLU A 134 -2.381 0.807 10.799 1.00 0.00 C ATOM 378 O GLU A 134 -2.430 0.656 9.577 1.00 0.00 O ATOM 379 CB GLU A 134 -3.917 2.790 10.804 1.00 0.00 C ATOM 380 CG GLU A 134 -4.045 4.280 11.080 1.00 0.00 C ATOM 381 CD GLU A 134 -5.021 4.966 10.142 1.00 0.00 C ATOM 382 OE1 GLU A 134 -6.238 4.889 10.390 1.00 0.00 O ATOM 383 OE2 GLU A 134 -4.566 5.587 9.154 1.00 0.00 O ATOM 0 H GLU A 134 -1.592 3.626 10.441 1.00 0.00 H new ATOM 0 HA GLU A 134 -2.899 2.071 12.499 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -3.889 2.631 9.726 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -4.807 2.284 11.177 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -4.371 4.428 12.109 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -3.065 4.749 10.985 1.00 0.00 H new ATOM 390 N GLU A 135 -2.003 -0.139 11.627 1.00 0.00 N ATOM 391 CA GLU A 135 -1.574 -1.428 11.146 1.00 0.00 C ATOM 392 C GLU A 135 -2.674 -2.247 10.485 1.00 0.00 C ATOM 393 O GLU A 135 -3.639 -2.696 11.102 1.00 0.00 O ATOM 394 CB GLU A 135 -0.864 -2.172 12.271 1.00 0.00 C ATOM 395 CG GLU A 135 -1.615 -2.204 13.581 1.00 0.00 C ATOM 396 CD GLU A 135 -0.671 -2.193 14.765 1.00 0.00 C ATOM 397 OE1 GLU A 135 0.213 -3.076 14.830 1.00 0.00 O ATOM 398 OE2 GLU A 135 -0.778 -1.284 15.604 1.00 0.00 O ATOM 0 H GLU A 135 -1.985 -0.037 12.642 1.00 0.00 H new ATOM 0 HA GLU A 135 -0.867 -1.260 10.333 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -0.678 -3.197 11.950 1.00 0.00 H new ATOM 0 HB3 GLU A 135 0.109 -1.709 12.437 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -2.283 -1.344 13.639 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -2.240 -3.096 13.621 1.00 0.00 H new ATOM 405 N VAL A 136 -2.485 -2.380 9.183 1.00 0.00 N ATOM 406 CA VAL A 136 -3.342 -3.136 8.288 1.00 0.00 C ATOM 407 C VAL A 136 -2.920 -4.596 8.250 1.00 0.00 C ATOM 408 O VAL A 136 -1.735 -4.916 8.217 1.00 0.00 O ATOM 409 CB VAL A 136 -3.256 -2.543 6.882 1.00 0.00 C ATOM 410 CG1 VAL A 136 -4.097 -3.289 5.887 1.00 0.00 C ATOM 411 CG2 VAL A 136 -3.632 -1.095 6.936 1.00 0.00 C ATOM 0 H VAL A 136 -1.697 -1.946 8.702 1.00 0.00 H new ATOM 0 HA VAL A 136 -4.368 -3.079 8.652 1.00 0.00 H new ATOM 0 HB VAL A 136 -2.228 -2.641 6.534 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -3.998 -2.825 4.906 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -3.764 -4.325 5.833 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -5.141 -3.260 6.198 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -3.573 -0.666 5.936 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -4.650 -0.997 7.313 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -2.947 -0.566 7.599 1.00 0.00 H new ATOM 421 N GLU A 137 -3.895 -5.469 8.220 1.00 0.00 N ATOM 422 CA GLU A 137 -3.631 -6.904 8.248 1.00 0.00 C ATOM 423 C GLU A 137 -4.245 -7.660 7.093 1.00 0.00 C ATOM 424 O GLU A 137 -5.183 -7.188 6.462 1.00 0.00 O ATOM 425 CB GLU A 137 -4.112 -7.486 9.557 1.00 0.00 C ATOM 426 CG GLU A 137 -3.182 -7.140 10.683 1.00 0.00 C ATOM 427 CD GLU A 137 -1.890 -7.942 10.627 1.00 0.00 C ATOM 428 OE1 GLU A 137 -1.899 -9.046 10.034 1.00 0.00 O ATOM 429 OE2 GLU A 137 -0.861 -7.470 11.150 1.00 0.00 O ATOM 0 H GLU A 137 -4.883 -5.221 8.176 1.00 0.00 H new ATOM 0 HA GLU A 137 -2.552 -7.021 8.150 1.00 0.00 H new ATOM 0 HB2 GLU A 137 -5.111 -7.110 9.779 1.00 0.00 H new ATOM 0 HB3 GLU A 137 -4.191 -8.569 9.468 1.00 0.00 H new ATOM 0 HG2 GLU A 137 -2.949 -6.076 10.646 1.00 0.00 H new ATOM 0 HG3 GLU A 137 -3.681 -7.324 11.634 1.00 0.00 H new ATOM 436 N GLU A 138 -3.642 -8.808 6.790 1.00 0.00 N ATOM 437 CA GLU A 138 -4.105 -9.695 5.728 1.00 0.00 C ATOM 438 C GLU A 138 -5.628 -9.827 5.772 1.00 0.00 C ATOM 439 O GLU A 138 -6.194 -10.446 6.673 1.00 0.00 O ATOM 440 CB GLU A 138 -3.440 -11.066 5.891 1.00 0.00 C ATOM 441 CG GLU A 138 -3.193 -11.446 7.346 1.00 0.00 C ATOM 442 CD GLU A 138 -2.458 -12.760 7.499 1.00 0.00 C ATOM 443 OE1 GLU A 138 -3.052 -13.814 7.200 1.00 0.00 O ATOM 444 OE2 GLU A 138 -1.278 -12.748 7.922 1.00 0.00 O ATOM 0 H GLU A 138 -2.814 -9.150 7.278 1.00 0.00 H new ATOM 0 HA GLU A 138 -3.831 -9.276 4.760 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -4.069 -11.825 5.426 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -2.490 -11.068 5.356 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -2.618 -10.656 7.829 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -4.149 -11.508 7.866 1.00 0.00 H new ATOM 451 N LEU A 139 -6.277 -9.228 4.792 1.00 0.00 N ATOM 452 CA LEU A 139 -7.723 -9.214 4.716 1.00 0.00 C ATOM 453 C LEU A 139 -8.232 -10.213 3.682 1.00 0.00 C ATOM 454 O LEU A 139 -7.777 -10.236 2.540 1.00 0.00 O ATOM 455 CB LEU A 139 -8.183 -7.796 4.383 1.00 0.00 C ATOM 456 CG LEU A 139 -9.475 -7.663 3.579 1.00 0.00 C ATOM 457 CD1 LEU A 139 -10.679 -8.087 4.408 1.00 0.00 C ATOM 458 CD2 LEU A 139 -9.653 -6.234 3.091 1.00 0.00 C ATOM 0 H LEU A 139 -5.815 -8.737 4.026 1.00 0.00 H new ATOM 0 HA LEU A 139 -8.138 -9.515 5.678 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -8.307 -7.250 5.318 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -7.385 -7.301 3.829 1.00 0.00 H new ATOM 0 HG LEU A 139 -9.403 -8.324 2.715 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -11.586 -7.983 3.812 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -10.563 -9.127 4.713 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -10.752 -7.455 5.293 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -10.578 -6.157 2.520 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -9.697 -5.560 3.947 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -8.811 -5.959 2.456 1.00 0.00 H new ATOM 815 N VAL B 8 0.766 -4.741 -13.603 1.00 0.00 N ATOM 816 CA VAL B 8 0.519 -3.644 -12.686 1.00 0.00 C ATOM 817 C VAL B 8 -0.965 -3.303 -12.633 1.00 0.00 C ATOM 818 O VAL B 8 -1.536 -2.799 -13.598 1.00 0.00 O ATOM 819 CB VAL B 8 1.314 -2.384 -13.081 1.00 0.00 C ATOM 820 CG1 VAL B 8 1.254 -1.349 -11.971 1.00 0.00 C ATOM 821 CG2 VAL B 8 2.757 -2.734 -13.414 1.00 0.00 C ATOM 0 HA VAL B 8 0.851 -3.973 -11.701 1.00 0.00 H new ATOM 0 HB VAL B 8 0.857 -1.958 -13.974 1.00 0.00 H new ATOM 0 HG11 VAL B 8 1.820 -0.466 -12.266 1.00 0.00 H new ATOM 0 HG12 VAL B 8 0.216 -1.070 -11.789 1.00 0.00 H new ATOM 0 HG13 VAL B 8 1.682 -1.767 -11.060 1.00 0.00 H new ATOM 0 HG21 VAL B 8 3.297 -1.828 -13.690 1.00 0.00 H new ATOM 0 HG22 VAL B 8 3.231 -3.189 -12.544 1.00 0.00 H new ATOM 0 HG23 VAL B 8 2.778 -3.436 -14.247 1.00 0.00 H new ATOM 831 N LEU B 9 -1.572 -3.594 -11.498 1.00 0.00 N ATOM 832 CA LEU B 9 -2.982 -3.330 -11.276 1.00 0.00 C ATOM 833 C LEU B 9 -3.193 -1.889 -10.830 1.00 0.00 C ATOM 834 O LEU B 9 -4.117 -1.212 -11.276 1.00 0.00 O ATOM 835 CB LEU B 9 -3.519 -4.268 -10.194 1.00 0.00 C ATOM 836 CG LEU B 9 -3.352 -5.764 -10.472 1.00 0.00 C ATOM 837 CD1 LEU B 9 -3.816 -6.578 -9.274 1.00 0.00 C ATOM 838 CD2 LEU B 9 -4.117 -6.168 -11.721 1.00 0.00 C ATOM 0 H LEU B 9 -1.100 -4.021 -10.701 1.00 0.00 H new ATOM 0 HA LEU B 9 -3.514 -3.497 -12.212 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -3.019 -4.033 -9.254 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -4.579 -4.060 -10.051 1.00 0.00 H new ATOM 0 HG LEU B 9 -2.295 -5.967 -10.642 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -3.692 -7.640 -9.486 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -3.222 -6.310 -8.400 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -4.867 -6.368 -9.077 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -3.984 -7.235 -11.900 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -5.177 -5.952 -11.584 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -3.740 -5.607 -12.576 1.00 0.00 H new ATOM 850 N LEU B 10 -2.326 -1.430 -9.942 1.00 0.00 N ATOM 851 CA LEU B 10 -2.423 -0.073 -9.415 1.00 0.00 C ATOM 852 C LEU B 10 -1.126 0.705 -9.599 1.00 0.00 C ATOM 853 O LEU B 10 -0.041 0.200 -9.313 1.00 0.00 O ATOM 854 CB LEU B 10 -2.813 -0.093 -7.939 1.00 0.00 C ATOM 855 CG LEU B 10 -3.472 1.195 -7.445 1.00 0.00 C ATOM 856 CD1 LEU B 10 -4.830 1.386 -8.102 1.00 0.00 C ATOM 857 CD2 LEU B 10 -3.608 1.187 -5.932 1.00 0.00 C ATOM 0 H LEU B 10 -1.547 -1.974 -9.570 1.00 0.00 H new ATOM 0 HA LEU B 10 -3.201 0.435 -9.985 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -3.495 -0.926 -7.767 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -1.921 -0.283 -7.342 1.00 0.00 H new ATOM 0 HG LEU B 10 -2.832 2.032 -7.724 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -5.284 2.308 -7.738 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -4.706 1.445 -9.183 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -5.475 0.542 -7.856 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -4.079 2.113 -5.604 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -4.222 0.340 -5.626 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -2.621 1.102 -5.478 1.00 0.00 H new ATOM 869 N ILE B 11 -1.249 1.938 -10.076 1.00 0.00 N ATOM 870 CA ILE B 11 -0.099 2.807 -10.296 1.00 0.00 C ATOM 871 C ILE B 11 -0.238 4.086 -9.487 1.00 0.00 C ATOM 872 O ILE B 11 -1.085 4.929 -9.779 1.00 0.00 O ATOM 873 CB ILE B 11 0.075 3.175 -11.788 1.00 0.00 C ATOM 874 CG1 ILE B 11 0.236 1.911 -12.638 1.00 0.00 C ATOM 875 CG2 ILE B 11 1.272 4.103 -11.970 1.00 0.00 C ATOM 876 CD1 ILE B 11 0.309 2.180 -14.127 1.00 0.00 C ATOM 0 H ILE B 11 -2.144 2.362 -10.320 1.00 0.00 H new ATOM 0 HA ILE B 11 0.782 2.252 -9.973 1.00 0.00 H new ATOM 0 HB ILE B 11 -0.820 3.699 -12.123 1.00 0.00 H new ATOM 0 HG12 ILE B 11 1.141 1.389 -12.328 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -0.602 1.242 -12.440 1.00 0.00 H new ATOM 0 HG21 ILE B 11 1.381 4.353 -13.025 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.115 5.016 -11.395 1.00 0.00 H new ATOM 0 HG23 ILE B 11 2.176 3.604 -11.620 1.00 0.00 H new ATOM 0 HD11 ILE B 11 0.423 1.237 -14.662 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -0.606 2.674 -14.453 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.163 2.823 -14.339 1.00 0.00 H new ATOM 888 N VAL B 12 0.590 4.216 -8.468 1.00 0.00 N ATOM 889 CA VAL B 12 0.571 5.390 -7.615 1.00 0.00 C ATOM 890 C VAL B 12 1.692 6.341 -8.010 1.00 0.00 C ATOM 891 O VAL B 12 2.786 5.910 -8.385 1.00 0.00 O ATOM 892 CB VAL B 12 0.710 5.000 -6.131 1.00 0.00 C ATOM 893 CG1 VAL B 12 0.599 6.218 -5.230 1.00 0.00 C ATOM 894 CG2 VAL B 12 -0.342 3.969 -5.767 1.00 0.00 C ATOM 0 H VAL B 12 1.288 3.519 -8.209 1.00 0.00 H new ATOM 0 HA VAL B 12 -0.389 5.890 -7.748 1.00 0.00 H new ATOM 0 HB VAL B 12 1.699 4.567 -5.981 1.00 0.00 H new ATOM 0 HG11 VAL B 12 0.701 5.911 -4.189 1.00 0.00 H new ATOM 0 HG12 VAL B 12 1.389 6.927 -5.478 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -0.372 6.691 -5.375 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -0.238 3.698 -4.716 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -1.335 4.386 -5.937 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -0.211 3.081 -6.385 1.00 0.00 H new ATOM 904 N LYS B 13 1.415 7.628 -7.939 1.00 0.00 N ATOM 905 CA LYS B 13 2.394 8.637 -8.302 1.00 0.00 C ATOM 906 C LYS B 13 3.189 9.108 -7.090 1.00 0.00 C ATOM 907 O LYS B 13 2.926 8.681 -5.971 1.00 0.00 O ATOM 908 CB LYS B 13 1.708 9.825 -8.978 1.00 0.00 C ATOM 909 CG LYS B 13 1.432 9.609 -10.458 1.00 0.00 C ATOM 910 CD LYS B 13 2.629 9.996 -11.318 1.00 0.00 C ATOM 911 CE LYS B 13 3.332 8.778 -11.902 1.00 0.00 C ATOM 912 NZ LYS B 13 4.326 8.199 -10.962 1.00 0.00 N ATOM 0 H LYS B 13 0.517 8.002 -7.632 1.00 0.00 H new ATOM 0 HA LYS B 13 3.093 8.182 -9.004 1.00 0.00 H new ATOM 0 HB2 LYS B 13 0.767 10.029 -8.468 1.00 0.00 H new ATOM 0 HB3 LYS B 13 2.333 10.710 -8.859 1.00 0.00 H new ATOM 0 HG2 LYS B 13 1.182 8.562 -10.632 1.00 0.00 H new ATOM 0 HG3 LYS B 13 0.565 10.198 -10.756 1.00 0.00 H new ATOM 0 HD2 LYS B 13 2.298 10.646 -12.128 1.00 0.00 H new ATOM 0 HD3 LYS B 13 3.336 10.569 -10.718 1.00 0.00 H new ATOM 0 HE2 LYS B 13 2.591 8.020 -12.156 1.00 0.00 H new ATOM 0 HE3 LYS B 13 3.832 9.059 -12.829 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 5.193 7.955 -11.481 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 4.550 8.894 -10.222 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 3.932 7.342 -10.524 1.00 0.00 H new ATOM 926 N LYS B 14 4.120 10.027 -7.360 1.00 0.00 N ATOM 927 CA LYS B 14 5.030 10.631 -6.378 1.00 0.00 C ATOM 928 C LYS B 14 5.125 9.888 -5.041 1.00 0.00 C ATOM 929 O LYS B 14 4.543 10.305 -4.039 1.00 0.00 O ATOM 930 CB LYS B 14 4.590 12.068 -6.125 1.00 0.00 C ATOM 931 CG LYS B 14 4.756 12.989 -7.322 1.00 0.00 C ATOM 932 CD LYS B 14 4.178 14.365 -7.037 1.00 0.00 C ATOM 933 CE LYS B 14 3.512 14.955 -8.269 1.00 0.00 C ATOM 934 NZ LYS B 14 2.108 15.360 -7.997 1.00 0.00 N ATOM 0 H LYS B 14 4.268 10.385 -8.303 1.00 0.00 H new ATOM 0 HA LYS B 14 6.028 10.576 -6.814 1.00 0.00 H new ATOM 0 HB2 LYS B 14 3.543 12.068 -5.823 1.00 0.00 H new ATOM 0 HB3 LYS B 14 5.163 12.470 -5.289 1.00 0.00 H new ATOM 0 HG2 LYS B 14 5.813 13.080 -7.571 1.00 0.00 H new ATOM 0 HG3 LYS B 14 4.260 12.555 -8.190 1.00 0.00 H new ATOM 0 HD2 LYS B 14 3.451 14.295 -6.228 1.00 0.00 H new ATOM 0 HD3 LYS B 14 4.971 15.031 -6.697 1.00 0.00 H new ATOM 0 HE2 LYS B 14 4.080 15.820 -8.610 1.00 0.00 H new ATOM 0 HE3 LYS B 14 3.529 14.224 -9.077 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 1.579 15.401 -8.891 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 1.663 14.666 -7.363 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 2.098 16.297 -7.546 1.00 0.00 H new ATOM 948 N VAL B 15 5.867 8.793 -5.035 1.00 0.00 N ATOM 949 CA VAL B 15 6.084 8.011 -3.828 1.00 0.00 C ATOM 950 C VAL B 15 7.557 8.087 -3.454 1.00 0.00 C ATOM 951 O VAL B 15 8.423 7.760 -4.262 1.00 0.00 O ATOM 952 CB VAL B 15 5.674 6.531 -4.005 1.00 0.00 C ATOM 953 CG1 VAL B 15 6.009 5.720 -2.759 1.00 0.00 C ATOM 954 CG2 VAL B 15 4.194 6.419 -4.320 1.00 0.00 C ATOM 0 H VAL B 15 6.334 8.422 -5.862 1.00 0.00 H new ATOM 0 HA VAL B 15 5.459 8.429 -3.039 1.00 0.00 H new ATOM 0 HB VAL B 15 6.241 6.125 -4.843 1.00 0.00 H new ATOM 0 HG11 VAL B 15 5.711 4.682 -2.909 1.00 0.00 H new ATOM 0 HG12 VAL B 15 7.082 5.766 -2.573 1.00 0.00 H new ATOM 0 HG13 VAL B 15 5.474 6.131 -1.903 1.00 0.00 H new ATOM 0 HG21 VAL B 15 3.926 5.369 -4.441 1.00 0.00 H new ATOM 0 HG22 VAL B 15 3.615 6.850 -3.503 1.00 0.00 H new ATOM 0 HG23 VAL B 15 3.977 6.957 -5.242 1.00 0.00 H new ATOM 964 N ARG B 16 7.835 8.530 -2.242 1.00 0.00 N ATOM 965 CA ARG B 16 9.200 8.668 -1.778 1.00 0.00 C ATOM 966 C ARG B 16 9.580 7.533 -0.843 1.00 0.00 C ATOM 967 O ARG B 16 8.985 7.366 0.218 1.00 0.00 O ATOM 968 CB ARG B 16 9.399 9.995 -1.038 1.00 0.00 C ATOM 969 CG ARG B 16 8.884 11.220 -1.777 1.00 0.00 C ATOM 970 CD ARG B 16 9.639 11.476 -3.068 1.00 0.00 C ATOM 971 NE ARG B 16 11.033 11.851 -2.836 1.00 0.00 N ATOM 972 CZ ARG B 16 11.677 12.789 -3.532 1.00 0.00 C ATOM 973 NH1 ARG B 16 11.021 13.538 -4.413 1.00 0.00 N ATOM 974 NH2 ARG B 16 12.972 12.990 -3.335 1.00 0.00 N ATOM 0 H ARG B 16 7.128 8.801 -1.559 1.00 0.00 H new ATOM 0 HA ARG B 16 9.838 8.641 -2.661 1.00 0.00 H new ATOM 0 HB2 ARG B 16 8.899 9.934 -0.071 1.00 0.00 H new ATOM 0 HB3 ARG B 16 10.462 10.128 -0.839 1.00 0.00 H new ATOM 0 HG2 ARG B 16 7.825 11.089 -1.999 1.00 0.00 H new ATOM 0 HG3 ARG B 16 8.969 12.093 -1.130 1.00 0.00 H new ATOM 0 HD2 ARG B 16 9.605 10.581 -3.689 1.00 0.00 H new ATOM 0 HD3 ARG B 16 9.141 12.269 -3.626 1.00 0.00 H new ATOM 0 HE ARG B 16 11.543 11.366 -2.098 1.00 0.00 H new ATOM 0 HH11 ARG B 16 10.021 13.396 -4.559 1.00 0.00 H new ATOM 0 HH12 ARG B 16 11.517 14.254 -4.943 1.00 0.00 H new ATOM 0 HH21 ARG B 16 13.477 12.427 -2.651 1.00 0.00 H new ATOM 0 HH22 ARG B 16 13.464 13.708 -3.868 1.00 0.00 H new ATOM 988 N GLN B 17 10.561 6.747 -1.236 1.00 0.00 N ATOM 989 CA GLN B 17 11.036 5.680 -0.382 1.00 0.00 C ATOM 990 C GLN B 17 12.363 6.130 0.199 1.00 0.00 C ATOM 991 O GLN B 17 13.329 6.337 -0.529 1.00 0.00 O ATOM 992 CB GLN B 17 11.149 4.337 -1.133 1.00 0.00 C ATOM 993 CG GLN B 17 12.268 4.254 -2.163 1.00 0.00 C ATOM 994 CD GLN B 17 13.539 3.623 -1.613 1.00 0.00 C ATOM 995 OE1 GLN B 17 13.393 2.743 -0.632 1.00 0.00 O flip ATOM 996 NE2 GLN B 17 14.644 3.926 -2.064 1.00 0.00 N flip ATOM 0 H GLN B 17 11.041 6.826 -2.133 1.00 0.00 H new ATOM 0 HA GLN B 17 10.321 5.491 0.419 1.00 0.00 H new ATOM 0 HB2 GLN B 17 11.293 3.542 -0.401 1.00 0.00 H new ATOM 0 HB3 GLN B 17 10.202 4.140 -1.635 1.00 0.00 H new ATOM 0 HG2 GLN B 17 11.923 3.675 -3.020 1.00 0.00 H new ATOM 0 HG3 GLN B 17 12.495 5.256 -2.526 1.00 0.00 H new ATOM 0 HE21 GLN B 17 14.717 4.607 -2.819 1.00 0.00 H new ATOM 0 HE22 GLN B 17 15.486 3.495 -1.682 1.00 0.00 H new ATOM 1005 N LYS B 18 12.375 6.380 1.499 1.00 0.00 N ATOM 1006 CA LYS B 18 13.580 6.844 2.178 1.00 0.00 C ATOM 1007 C LYS B 18 14.032 8.171 1.573 1.00 0.00 C ATOM 1008 O LYS B 18 15.223 8.471 1.538 1.00 0.00 O ATOM 1009 CB LYS B 18 14.703 5.802 2.089 1.00 0.00 C ATOM 1010 CG LYS B 18 14.318 4.423 2.613 1.00 0.00 C ATOM 1011 CD LYS B 18 14.025 4.439 4.107 1.00 0.00 C ATOM 1012 CE LYS B 18 12.575 4.803 4.393 1.00 0.00 C ATOM 1013 NZ LYS B 18 12.249 4.693 5.833 1.00 0.00 N ATOM 0 H LYS B 18 11.564 6.270 2.108 1.00 0.00 H new ATOM 0 HA LYS B 18 13.348 6.991 3.233 1.00 0.00 H new ATOM 0 HB2 LYS B 18 15.016 5.709 1.049 1.00 0.00 H new ATOM 0 HB3 LYS B 18 15.565 6.164 2.650 1.00 0.00 H new ATOM 0 HG2 LYS B 18 13.440 4.064 2.076 1.00 0.00 H new ATOM 0 HG3 LYS B 18 15.126 3.720 2.410 1.00 0.00 H new ATOM 0 HD2 LYS B 18 14.245 3.459 4.531 1.00 0.00 H new ATOM 0 HD3 LYS B 18 14.684 5.155 4.599 1.00 0.00 H new ATOM 0 HE2 LYS B 18 12.383 5.821 4.055 1.00 0.00 H new ATOM 0 HE3 LYS B 18 11.917 4.148 3.821 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 11.291 5.061 6.001 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 12.292 3.695 6.123 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 12.934 5.245 6.387 1.00 0.00 H new ATOM 1027 N LYS B 19 13.042 8.960 1.129 1.00 0.00 N ATOM 1028 CA LYS B 19 13.251 10.278 0.507 1.00 0.00 C ATOM 1029 C LYS B 19 13.577 10.181 -0.990 1.00 0.00 C ATOM 1030 O LYS B 19 13.939 11.181 -1.606 1.00 0.00 O ATOM 1031 CB LYS B 19 14.340 11.090 1.230 1.00 0.00 C ATOM 1032 CG LYS B 19 13.828 11.927 2.397 1.00 0.00 C ATOM 1033 CD LYS B 19 13.021 11.096 3.386 1.00 0.00 C ATOM 1034 CE LYS B 19 13.867 10.568 4.537 1.00 0.00 C ATOM 1035 NZ LYS B 19 15.112 9.889 4.076 1.00 0.00 N ATOM 0 H LYS B 19 12.059 8.697 1.193 1.00 0.00 H new ATOM 0 HA LYS B 19 12.301 10.804 0.608 1.00 0.00 H new ATOM 0 HB2 LYS B 19 15.104 10.405 1.597 1.00 0.00 H new ATOM 0 HB3 LYS B 19 14.823 11.750 0.509 1.00 0.00 H new ATOM 0 HG2 LYS B 19 14.672 12.385 2.913 1.00 0.00 H new ATOM 0 HG3 LYS B 19 13.209 12.739 2.016 1.00 0.00 H new ATOM 0 HD2 LYS B 19 12.208 11.703 3.786 1.00 0.00 H new ATOM 0 HD3 LYS B 19 12.564 10.257 2.861 1.00 0.00 H new ATOM 0 HE2 LYS B 19 14.132 11.395 5.196 1.00 0.00 H new ATOM 0 HE3 LYS B 19 13.274 9.868 5.126 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 15.478 9.282 4.837 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 14.901 9.307 3.240 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 15.826 10.604 3.829 1.00 0.00 H new ATOM 1049 N GLN B 20 13.413 9.000 -1.585 1.00 0.00 N ATOM 1050 CA GLN B 20 13.688 8.822 -3.017 1.00 0.00 C ATOM 1051 C GLN B 20 12.400 8.920 -3.827 1.00 0.00 C ATOM 1052 O GLN B 20 11.417 8.256 -3.510 1.00 0.00 O ATOM 1053 CB GLN B 20 14.346 7.467 -3.290 1.00 0.00 C ATOM 1054 CG GLN B 20 15.861 7.473 -3.173 1.00 0.00 C ATOM 1055 CD GLN B 20 16.339 7.420 -1.739 1.00 0.00 C ATOM 1056 OE1 GLN B 20 16.425 6.217 -1.191 1.00 0.00 O flip ATOM 1057 NE2 GLN B 20 16.615 8.447 -1.124 1.00 0.00 N flip ATOM 0 H GLN B 20 13.094 8.158 -1.106 1.00 0.00 H new ATOM 0 HA GLN B 20 14.371 9.616 -3.318 1.00 0.00 H new ATOM 0 HB2 GLN B 20 13.942 6.733 -2.593 1.00 0.00 H new ATOM 0 HB3 GLN B 20 14.072 7.138 -4.293 1.00 0.00 H new ATOM 0 HG2 GLN B 20 16.266 6.620 -3.718 1.00 0.00 H new ATOM 0 HG3 GLN B 20 16.254 8.371 -3.649 1.00 0.00 H new ATOM 0 HE21 GLN B 20 16.535 9.354 -1.584 1.00 0.00 H new ATOM 0 HE22 GLN B 20 16.924 8.393 -0.153 1.00 0.00 H new ATOM 1066 N ASP B 21 12.405 9.749 -4.864 1.00 0.00 N ATOM 1067 CA ASP B 21 11.232 9.929 -5.717 1.00 0.00 C ATOM 1068 C ASP B 21 11.008 8.733 -6.623 1.00 0.00 C ATOM 1069 O ASP B 21 11.949 8.163 -7.172 1.00 0.00 O ATOM 1070 CB ASP B 21 11.349 11.196 -6.575 1.00 0.00 C ATOM 1071 CG ASP B 21 12.782 11.554 -6.915 1.00 0.00 C ATOM 1072 OD1 ASP B 21 13.296 11.058 -7.931 1.00 0.00 O ATOM 1073 OD2 ASP B 21 13.390 12.336 -6.150 1.00 0.00 O ATOM 0 H ASP B 21 13.212 10.311 -5.137 1.00 0.00 H new ATOM 0 HA ASP B 21 10.378 10.029 -5.048 1.00 0.00 H new ATOM 0 HB2 ASP B 21 10.787 11.055 -7.498 1.00 0.00 H new ATOM 0 HB3 ASP B 21 10.888 12.030 -6.045 1.00 0.00 H new ATOM 1078 N GLY B 22 9.751 8.348 -6.760 1.00 0.00 N ATOM 1079 CA GLY B 22 9.408 7.234 -7.604 1.00 0.00 C ATOM 1080 C GLY B 22 7.923 6.980 -7.634 1.00 0.00 C ATOM 1081 O GLY B 22 7.140 7.762 -7.099 1.00 0.00 O ATOM 0 H GLY B 22 8.959 8.793 -6.297 1.00 0.00 H new ATOM 0 HA2 GLY B 22 9.763 7.425 -8.617 1.00 0.00 H new ATOM 0 HA3 GLY B 22 9.921 6.340 -7.249 1.00 0.00 H new ATOM 1085 N ALA B 23 7.537 5.897 -8.270 1.00 0.00 N ATOM 1086 CA ALA B 23 6.148 5.515 -8.365 1.00 0.00 C ATOM 1087 C ALA B 23 5.961 4.145 -7.745 1.00 0.00 C ATOM 1088 O ALA B 23 6.842 3.289 -7.842 1.00 0.00 O ATOM 1089 CB ALA B 23 5.694 5.516 -9.813 1.00 0.00 C ATOM 0 H ALA B 23 8.179 5.256 -8.736 1.00 0.00 H new ATOM 0 HA ALA B 23 5.538 6.237 -7.823 1.00 0.00 H new ATOM 0 HB1 ALA B 23 4.645 5.226 -9.866 1.00 0.00 H new ATOM 0 HB2 ALA B 23 5.816 6.515 -10.232 1.00 0.00 H new ATOM 0 HB3 ALA B 23 6.295 4.808 -10.383 1.00 0.00 H new ATOM 1095 N LEU B 24 4.826 3.936 -7.109 1.00 0.00 N ATOM 1096 CA LEU B 24 4.554 2.666 -6.468 1.00 0.00 C ATOM 1097 C LEU B 24 3.601 1.872 -7.360 1.00 0.00 C ATOM 1098 O LEU B 24 2.497 2.326 -7.664 1.00 0.00 O ATOM 1099 CB LEU B 24 3.947 2.906 -5.084 1.00 0.00 C ATOM 1100 CG LEU B 24 4.291 1.863 -4.013 1.00 0.00 C ATOM 1101 CD1 LEU B 24 3.245 1.863 -2.910 1.00 0.00 C ATOM 1102 CD2 LEU B 24 4.448 0.473 -4.606 1.00 0.00 C ATOM 0 H LEU B 24 4.080 4.626 -7.022 1.00 0.00 H new ATOM 0 HA LEU B 24 5.474 2.098 -6.333 1.00 0.00 H new ATOM 0 HB2 LEU B 24 4.273 3.884 -4.730 1.00 0.00 H new ATOM 0 HB3 LEU B 24 2.863 2.950 -5.186 1.00 0.00 H new ATOM 0 HG LEU B 24 5.252 2.142 -3.582 1.00 0.00 H new ATOM 0 HD11 LEU B 24 3.507 1.117 -2.160 1.00 0.00 H new ATOM 0 HD12 LEU B 24 3.208 2.848 -2.444 1.00 0.00 H new ATOM 0 HD13 LEU B 24 2.269 1.625 -3.334 1.00 0.00 H new ATOM 0 HD21 LEU B 24 4.691 -0.235 -3.814 1.00 0.00 H new ATOM 0 HD22 LEU B 24 3.516 0.175 -5.086 1.00 0.00 H new ATOM 0 HD23 LEU B 24 5.250 0.481 -5.344 1.00 0.00 H new ATOM 1114 N TYR B 25 4.041 0.702 -7.791 1.00 0.00 N ATOM 1115 CA TYR B 25 3.248 -0.136 -8.674 1.00 0.00 C ATOM 1116 C TYR B 25 2.767 -1.401 -7.971 1.00 0.00 C ATOM 1117 O TYR B 25 3.563 -2.166 -7.426 1.00 0.00 O ATOM 1118 CB TYR B 25 4.073 -0.523 -9.905 1.00 0.00 C ATOM 1119 CG TYR B 25 4.613 0.655 -10.685 1.00 0.00 C ATOM 1120 CD1 TYR B 25 5.835 1.230 -10.357 1.00 0.00 C ATOM 1121 CD2 TYR B 25 3.903 1.191 -11.751 1.00 0.00 C ATOM 1122 CE1 TYR B 25 6.333 2.304 -11.069 1.00 0.00 C ATOM 1123 CE2 TYR B 25 4.393 2.266 -12.467 1.00 0.00 C ATOM 1124 CZ TYR B 25 5.608 2.817 -12.122 1.00 0.00 C ATOM 1125 OH TYR B 25 6.098 3.889 -12.832 1.00 0.00 O ATOM 0 H TYR B 25 4.949 0.309 -7.542 1.00 0.00 H new ATOM 0 HA TYR B 25 2.373 0.439 -8.976 1.00 0.00 H new ATOM 0 HB2 TYR B 25 4.908 -1.147 -9.587 1.00 0.00 H new ATOM 0 HB3 TYR B 25 3.455 -1.130 -10.567 1.00 0.00 H new ATOM 0 HD1 TYR B 25 6.405 0.830 -9.531 1.00 0.00 H new ATOM 0 HD2 TYR B 25 2.951 0.760 -12.025 1.00 0.00 H new ATOM 0 HE1 TYR B 25 7.285 2.739 -10.802 1.00 0.00 H new ATOM 0 HE2 TYR B 25 3.827 2.672 -13.292 1.00 0.00 H new ATOM 0 HH TYR B 25 5.466 4.127 -13.542 1.00 0.00 H new ATOM 1135 N LEU B 26 1.461 -1.602 -7.979 1.00 0.00 N ATOM 1136 CA LEU B 26 0.864 -2.783 -7.380 1.00 0.00 C ATOM 1137 C LEU B 26 0.555 -3.801 -8.452 1.00 0.00 C ATOM 1138 O LEU B 26 -0.426 -3.660 -9.173 1.00 0.00 O ATOM 1139 CB LEU B 26 -0.427 -2.429 -6.652 1.00 0.00 C ATOM 1140 CG LEU B 26 -0.234 -1.728 -5.323 1.00 0.00 C ATOM 1141 CD1 LEU B 26 -1.572 -1.413 -4.686 1.00 0.00 C ATOM 1142 CD2 LEU B 26 0.588 -2.590 -4.400 1.00 0.00 C ATOM 0 H LEU B 26 0.790 -0.958 -8.397 1.00 0.00 H new ATOM 0 HA LEU B 26 1.575 -3.195 -6.665 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -1.030 -1.792 -7.299 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -0.996 -3.343 -6.485 1.00 0.00 H new ATOM 0 HG LEU B 26 0.293 -0.791 -5.500 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -1.412 -0.910 -3.733 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -2.146 -0.764 -5.347 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.123 -2.339 -4.519 1.00 0.00 H new ATOM 0 HD21 LEU B 26 0.722 -2.078 -3.447 1.00 0.00 H new ATOM 0 HD22 LEU B 26 0.075 -3.537 -4.234 1.00 0.00 H new ATOM 0 HD23 LEU B 26 1.563 -2.779 -4.850 1.00 0.00 H new ATOM 1154 N MET B 27 1.390 -4.812 -8.571 1.00 0.00 N ATOM 1155 CA MET B 27 1.172 -5.845 -9.572 1.00 0.00 C ATOM 1156 C MET B 27 0.238 -6.917 -9.031 1.00 0.00 C ATOM 1157 O MET B 27 -0.263 -6.811 -7.912 1.00 0.00 O ATOM 1158 CB MET B 27 2.488 -6.487 -10.018 1.00 0.00 C ATOM 1159 CG MET B 27 3.381 -5.572 -10.830 1.00 0.00 C ATOM 1160 SD MET B 27 4.384 -4.490 -9.797 1.00 0.00 S ATOM 1161 CE MET B 27 5.519 -3.840 -11.014 1.00 0.00 C ATOM 0 H MET B 27 2.221 -4.944 -7.994 1.00 0.00 H new ATOM 0 HA MET B 27 0.716 -5.368 -10.439 1.00 0.00 H new ATOM 0 HB2 MET B 27 3.034 -6.820 -9.136 1.00 0.00 H new ATOM 0 HB3 MET B 27 2.264 -7.375 -10.608 1.00 0.00 H new ATOM 0 HG2 MET B 27 4.035 -6.174 -11.461 1.00 0.00 H new ATOM 0 HG3 MET B 27 2.766 -4.966 -11.495 1.00 0.00 H new ATOM 0 HE1 MET B 27 6.535 -4.146 -10.764 1.00 0.00 H new ATOM 0 HE2 MET B 27 5.256 -4.225 -11.999 1.00 0.00 H new ATOM 0 HE3 MET B 27 5.460 -2.752 -11.022 1.00 0.00 H new ATOM 1171 N ALA B 28 -0.005 -7.937 -9.832 1.00 0.00 N ATOM 1172 CA ALA B 28 -0.875 -9.029 -9.432 1.00 0.00 C ATOM 1173 C ALA B 28 -0.083 -10.111 -8.710 1.00 0.00 C ATOM 1174 O ALA B 28 -0.652 -11.031 -8.130 1.00 0.00 O ATOM 1175 CB ALA B 28 -1.578 -9.609 -10.651 1.00 0.00 C ATOM 0 H ALA B 28 0.389 -8.033 -10.768 1.00 0.00 H new ATOM 0 HA ALA B 28 -1.626 -8.641 -8.744 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -2.228 -10.427 -10.341 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -2.175 -8.833 -11.130 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -0.835 -9.983 -11.356 1.00 0.00 H new ATOM 1181 N GLU B 29 1.238 -9.984 -8.743 1.00 0.00 N ATOM 1182 CA GLU B 29 2.115 -10.966 -8.122 1.00 0.00 C ATOM 1183 C GLU B 29 2.849 -10.365 -6.932 1.00 0.00 C ATOM 1184 O GLU B 29 2.967 -10.987 -5.871 1.00 0.00 O ATOM 1185 CB GLU B 29 3.159 -11.453 -9.131 1.00 0.00 C ATOM 1186 CG GLU B 29 2.695 -11.402 -10.575 1.00 0.00 C ATOM 1187 CD GLU B 29 2.895 -10.024 -11.179 1.00 0.00 C ATOM 1188 OE1 GLU B 29 3.840 -9.323 -10.754 1.00 0.00 O ATOM 1189 OE2 GLU B 29 2.095 -9.622 -12.047 1.00 0.00 O ATOM 0 H GLU B 29 1.725 -9.209 -9.194 1.00 0.00 H new ATOM 0 HA GLU B 29 1.494 -11.797 -7.786 1.00 0.00 H new ATOM 0 HB2 GLU B 29 4.059 -10.847 -9.028 1.00 0.00 H new ATOM 0 HB3 GLU B 29 3.436 -12.478 -8.885 1.00 0.00 H new ATOM 0 HG2 GLU B 29 3.244 -12.139 -11.160 1.00 0.00 H new ATOM 0 HG3 GLU B 29 1.641 -11.674 -10.629 1.00 0.00 H new ATOM 1196 N ARG B 30 3.349 -9.151 -7.112 1.00 0.00 N ATOM 1197 CA ARG B 30 4.102 -8.488 -6.064 1.00 0.00 C ATOM 1198 C ARG B 30 3.973 -6.975 -6.146 1.00 0.00 C ATOM 1199 O ARG B 30 3.483 -6.434 -7.134 1.00 0.00 O ATOM 1200 CB ARG B 30 5.577 -8.879 -6.171 1.00 0.00 C ATOM 1201 CG ARG B 30 6.370 -8.075 -7.190 1.00 0.00 C ATOM 1202 CD ARG B 30 6.327 -8.699 -8.576 1.00 0.00 C ATOM 1203 NE ARG B 30 7.390 -8.164 -9.424 1.00 0.00 N ATOM 1204 CZ ARG B 30 7.359 -8.154 -10.757 1.00 0.00 C ATOM 1205 NH1 ARG B 30 6.307 -8.631 -11.410 1.00 0.00 N ATOM 1206 NH2 ARG B 30 8.385 -7.648 -11.434 1.00 0.00 N ATOM 0 H ARG B 30 3.246 -8.610 -7.970 1.00 0.00 H new ATOM 0 HA ARG B 30 3.694 -8.808 -5.105 1.00 0.00 H new ATOM 0 HB2 ARG B 30 6.043 -8.762 -5.193 1.00 0.00 H new ATOM 0 HB3 ARG B 30 5.642 -9.936 -6.431 1.00 0.00 H new ATOM 0 HG2 ARG B 30 5.973 -7.061 -7.238 1.00 0.00 H new ATOM 0 HG3 ARG B 30 7.406 -7.997 -6.861 1.00 0.00 H new ATOM 0 HD2 ARG B 30 6.431 -9.781 -8.495 1.00 0.00 H new ATOM 0 HD3 ARG B 30 5.358 -8.506 -9.036 1.00 0.00 H new ATOM 0 HE ARG B 30 8.212 -7.771 -8.965 1.00 0.00 H new ATOM 0 HH11 ARG B 30 5.514 -9.009 -10.892 1.00 0.00 H new ATOM 0 HH12 ARG B 30 6.292 -8.619 -12.430 1.00 0.00 H new ATOM 0 HH21 ARG B 30 9.190 -7.270 -10.934 1.00 0.00 H new ATOM 0 HH22 ARG B 30 8.368 -7.637 -12.454 1.00 0.00 H new ATOM 1220 N ILE B 31 4.415 -6.307 -5.094 1.00 0.00 N ATOM 1221 CA ILE B 31 4.397 -4.859 -5.037 1.00 0.00 C ATOM 1222 C ILE B 31 5.786 -4.354 -5.412 1.00 0.00 C ATOM 1223 O ILE B 31 6.786 -4.805 -4.850 1.00 0.00 O ATOM 1224 CB ILE B 31 3.990 -4.343 -3.632 1.00 0.00 C ATOM 1225 CG1 ILE B 31 4.248 -2.839 -3.509 1.00 0.00 C ATOM 1226 CG2 ILE B 31 4.726 -5.102 -2.535 1.00 0.00 C ATOM 1227 CD1 ILE B 31 3.691 -2.230 -2.240 1.00 0.00 C ATOM 0 H ILE B 31 4.795 -6.753 -4.259 1.00 0.00 H new ATOM 0 HA ILE B 31 3.652 -4.481 -5.737 1.00 0.00 H new ATOM 0 HB ILE B 31 2.922 -4.520 -3.509 1.00 0.00 H new ATOM 0 HG12 ILE B 31 5.322 -2.659 -3.547 1.00 0.00 H new ATOM 0 HG13 ILE B 31 3.809 -2.332 -4.368 1.00 0.00 H new ATOM 0 HG21 ILE B 31 4.421 -4.720 -1.561 1.00 0.00 H new ATOM 0 HG22 ILE B 31 4.483 -6.163 -2.601 1.00 0.00 H new ATOM 0 HG23 ILE B 31 5.801 -4.968 -2.658 1.00 0.00 H new ATOM 0 HD11 ILE B 31 3.911 -1.163 -2.221 1.00 0.00 H new ATOM 0 HD12 ILE B 31 2.612 -2.378 -2.209 1.00 0.00 H new ATOM 0 HD13 ILE B 31 4.148 -2.710 -1.375 1.00 0.00 H new ATOM 1239 N ALA B 32 5.863 -3.457 -6.377 1.00 0.00 N ATOM 1240 CA ALA B 32 7.152 -2.950 -6.809 1.00 0.00 C ATOM 1241 C ALA B 32 7.180 -1.432 -6.856 1.00 0.00 C ATOM 1242 O ALA B 32 6.159 -0.781 -7.048 1.00 0.00 O ATOM 1243 CB ALA B 32 7.520 -3.534 -8.161 1.00 0.00 C ATOM 0 H ALA B 32 5.060 -3.068 -6.871 1.00 0.00 H new ATOM 0 HA ALA B 32 7.892 -3.263 -6.073 1.00 0.00 H new ATOM 0 HB1 ALA B 32 8.489 -3.145 -8.474 1.00 0.00 H new ATOM 0 HB2 ALA B 32 7.571 -4.620 -8.086 1.00 0.00 H new ATOM 0 HB3 ALA B 32 6.764 -3.256 -8.895 1.00 0.00 H new ATOM 1249 N TRP B 33 8.365 -0.882 -6.684 1.00 0.00 N ATOM 1250 CA TRP B 33 8.559 0.552 -6.702 1.00 0.00 C ATOM 1251 C TRP B 33 9.714 0.899 -7.633 1.00 0.00 C ATOM 1252 O TRP B 33 10.716 0.178 -7.690 1.00 0.00 O ATOM 1253 CB TRP B 33 8.830 1.061 -5.279 1.00 0.00 C ATOM 1254 CG TRP B 33 9.071 2.538 -5.195 1.00 0.00 C ATOM 1255 CD1 TRP B 33 8.145 3.512 -4.961 1.00 0.00 C ATOM 1256 CD2 TRP B 33 10.327 3.204 -5.343 1.00 0.00 C ATOM 1257 NE1 TRP B 33 8.751 4.746 -4.962 1.00 0.00 N ATOM 1258 CE2 TRP B 33 10.092 4.581 -5.193 1.00 0.00 C ATOM 1259 CE3 TRP B 33 11.627 2.763 -5.589 1.00 0.00 C ATOM 1260 CZ2 TRP B 33 11.114 5.521 -5.283 1.00 0.00 C ATOM 1261 CZ3 TRP B 33 12.641 3.696 -5.679 1.00 0.00 C ATOM 1262 CH2 TRP B 33 12.380 5.063 -5.526 1.00 0.00 C ATOM 0 H TRP B 33 9.219 -1.417 -6.528 1.00 0.00 H new ATOM 0 HA TRP B 33 7.657 1.039 -7.072 1.00 0.00 H new ATOM 0 HB2 TRP B 33 7.981 0.805 -4.645 1.00 0.00 H new ATOM 0 HB3 TRP B 33 9.698 0.538 -4.876 1.00 0.00 H new ATOM 0 HD1 TRP B 33 7.091 3.339 -4.799 1.00 0.00 H new ATOM 0 HE1 TRP B 33 8.280 5.639 -4.815 1.00 0.00 H new ATOM 0 HE3 TRP B 33 11.837 1.710 -5.707 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 10.915 6.576 -5.165 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 13.651 3.366 -5.870 1.00 0.00 H new ATOM 0 HH2 TRP B 33 13.194 5.769 -5.601 1.00 0.00 H new ATOM 1273 N ALA B 34 9.565 1.990 -8.365 1.00 0.00 N ATOM 1274 CA ALA B 34 10.587 2.442 -9.297 1.00 0.00 C ATOM 1275 C ALA B 34 10.634 3.958 -9.319 1.00 0.00 C ATOM 1276 O ALA B 34 9.589 4.599 -9.271 1.00 0.00 O ATOM 1277 CB ALA B 34 10.302 1.912 -10.694 1.00 0.00 C ATOM 0 H ALA B 34 8.737 2.585 -8.331 1.00 0.00 H new ATOM 0 HA ALA B 34 11.553 2.059 -8.968 1.00 0.00 H new ATOM 0 HB1 ALA B 34 11.075 2.259 -11.379 1.00 0.00 H new ATOM 0 HB2 ALA B 34 10.296 0.822 -10.675 1.00 0.00 H new ATOM 0 HB3 ALA B 34 9.330 2.275 -11.030 1.00 0.00 H new ATOM 1283 N PRO B 35 11.838 4.553 -9.374 1.00 0.00 N ATOM 1284 CA PRO B 35 11.999 6.014 -9.410 1.00 0.00 C ATOM 1285 C PRO B 35 11.192 6.651 -10.544 1.00 0.00 C ATOM 1286 O PRO B 35 10.990 6.031 -11.593 1.00 0.00 O ATOM 1287 CB PRO B 35 13.501 6.201 -9.636 1.00 0.00 C ATOM 1288 CG PRO B 35 14.114 4.960 -9.086 1.00 0.00 C ATOM 1289 CD PRO B 35 13.138 3.858 -9.392 1.00 0.00 C ATOM 0 HA PRO B 35 11.636 6.493 -8.501 1.00 0.00 H new ATOM 0 HB2 PRO B 35 13.732 6.323 -10.694 1.00 0.00 H new ATOM 0 HB3 PRO B 35 13.873 7.089 -9.124 1.00 0.00 H new ATOM 0 HG2 PRO B 35 15.083 4.764 -9.545 1.00 0.00 H new ATOM 0 HG3 PRO B 35 14.282 5.048 -8.013 1.00 0.00 H new ATOM 0 HD2 PRO B 35 13.337 3.400 -10.361 1.00 0.00 H new ATOM 0 HD3 PRO B 35 13.181 3.063 -8.648 1.00 0.00 H new ATOM 1411 N ILE B 43 12.744 -1.925 -6.638 1.00 0.00 N ATOM 1412 CA ILE B 43 12.240 -2.565 -5.434 1.00 0.00 C ATOM 1413 C ILE B 43 11.040 -3.436 -5.783 1.00 0.00 C ATOM 1414 O ILE B 43 10.108 -2.968 -6.428 1.00 0.00 O ATOM 1415 CB ILE B 43 11.824 -1.518 -4.379 1.00 0.00 C ATOM 1416 CG1 ILE B 43 13.009 -0.618 -4.023 1.00 0.00 C ATOM 1417 CG2 ILE B 43 11.283 -2.202 -3.132 1.00 0.00 C ATOM 1418 CD1 ILE B 43 12.673 0.455 -3.011 1.00 0.00 C ATOM 0 HA ILE B 43 13.037 -3.179 -5.015 1.00 0.00 H new ATOM 0 HB ILE B 43 11.033 -0.898 -4.802 1.00 0.00 H new ATOM 0 HG12 ILE B 43 13.818 -1.235 -3.631 1.00 0.00 H new ATOM 0 HG13 ILE B 43 13.381 -0.145 -4.932 1.00 0.00 H new ATOM 0 HG21 ILE B 43 10.995 -1.448 -2.399 1.00 0.00 H new ATOM 0 HG22 ILE B 43 10.413 -2.803 -3.395 1.00 0.00 H new ATOM 0 HG23 ILE B 43 12.053 -2.845 -2.707 1.00 0.00 H new ATOM 0 HD11 ILE B 43 13.561 1.054 -2.807 1.00 0.00 H new ATOM 0 HD12 ILE B 43 11.886 1.096 -3.408 1.00 0.00 H new ATOM 0 HD13 ILE B 43 12.330 -0.011 -2.087 1.00 0.00 H new ATOM 1430 N SER B 44 11.070 -4.701 -5.387 1.00 0.00 N ATOM 1431 CA SER B 44 9.976 -5.605 -5.674 1.00 0.00 C ATOM 1432 C SER B 44 9.795 -6.613 -4.535 1.00 0.00 C ATOM 1433 O SER B 44 10.704 -7.384 -4.231 1.00 0.00 O ATOM 1434 CB SER B 44 10.265 -6.327 -6.988 1.00 0.00 C ATOM 1435 OG SER B 44 9.069 -6.659 -7.671 1.00 0.00 O ATOM 0 H SER B 44 11.841 -5.120 -4.867 1.00 0.00 H new ATOM 0 HA SER B 44 9.050 -5.037 -5.765 1.00 0.00 H new ATOM 0 HB2 SER B 44 10.885 -5.694 -7.623 1.00 0.00 H new ATOM 0 HB3 SER B 44 10.835 -7.234 -6.788 1.00 0.00 H new ATOM 0 HG SER B 44 9.025 -6.161 -8.514 1.00 0.00 H new ATOM 1441 N HIS B 45 8.627 -6.593 -3.903 1.00 0.00 N ATOM 1442 CA HIS B 45 8.331 -7.506 -2.798 1.00 0.00 C ATOM 1443 C HIS B 45 7.148 -8.396 -3.144 1.00 0.00 C ATOM 1444 O HIS B 45 6.031 -7.912 -3.329 1.00 0.00 O ATOM 1445 CB HIS B 45 8.016 -6.732 -1.511 1.00 0.00 C ATOM 1446 CG HIS B 45 9.111 -5.824 -1.042 1.00 0.00 C ATOM 1447 ND1 HIS B 45 10.082 -6.186 -0.131 1.00 0.00 N ATOM 1448 CD2 HIS B 45 9.367 -4.534 -1.367 1.00 0.00 C ATOM 1449 CE1 HIS B 45 10.878 -5.128 0.063 1.00 0.00 C ATOM 1450 NE2 HIS B 45 10.487 -4.099 -0.666 1.00 0.00 N ATOM 0 H HIS B 45 7.866 -5.954 -4.135 1.00 0.00 H new ATOM 0 HA HIS B 45 9.216 -8.121 -2.635 1.00 0.00 H new ATOM 0 HB2 HIS B 45 7.115 -6.140 -1.671 1.00 0.00 H new ATOM 0 HB3 HIS B 45 7.791 -7.447 -0.719 1.00 0.00 H new ATOM 0 HD2 HIS B 45 8.793 -3.938 -2.060 1.00 0.00 H new ATOM 0 HE1 HIS B 45 11.729 -5.117 0.728 1.00 0.00 H new ATOM 0 HE2 HIS B 45 10.918 -3.175 -0.707 1.00 0.00 H new ATOM 1458 N MET B 46 7.400 -9.695 -3.241 1.00 0.00 N ATOM 1459 CA MET B 46 6.351 -10.657 -3.554 1.00 0.00 C ATOM 1460 C MET B 46 5.323 -10.672 -2.436 1.00 0.00 C ATOM 1461 O MET B 46 5.691 -10.736 -1.267 1.00 0.00 O ATOM 1462 CB MET B 46 6.939 -12.061 -3.736 1.00 0.00 C ATOM 1463 CG MET B 46 7.872 -12.191 -4.931 1.00 0.00 C ATOM 1464 SD MET B 46 7.038 -11.909 -6.506 1.00 0.00 S ATOM 1465 CE MET B 46 5.862 -13.262 -6.531 1.00 0.00 C ATOM 0 H MET B 46 8.323 -10.107 -3.107 1.00 0.00 H new ATOM 0 HA MET B 46 5.873 -10.359 -4.487 1.00 0.00 H new ATOM 0 HB2 MET B 46 7.482 -12.336 -2.832 1.00 0.00 H new ATOM 0 HB3 MET B 46 6.122 -12.774 -3.846 1.00 0.00 H new ATOM 0 HG2 MET B 46 8.690 -11.478 -4.826 1.00 0.00 H new ATOM 0 HG3 MET B 46 8.315 -13.187 -4.933 1.00 0.00 H new ATOM 0 HE1 MET B 46 5.841 -13.707 -7.526 1.00 0.00 H new ATOM 0 HE2 MET B 46 6.159 -14.016 -5.802 1.00 0.00 H new ATOM 0 HE3 MET B 46 4.870 -12.886 -6.280 1.00 0.00 H new ATOM 1475 N TYR B 47 4.038 -10.613 -2.789 1.00 0.00 N ATOM 1476 CA TYR B 47 2.972 -10.617 -1.784 1.00 0.00 C ATOM 1477 C TYR B 47 3.088 -11.850 -0.894 1.00 0.00 C ATOM 1478 O TYR B 47 2.697 -11.831 0.270 1.00 0.00 O ATOM 1479 CB TYR B 47 1.592 -10.586 -2.439 1.00 0.00 C ATOM 1480 CG TYR B 47 1.310 -9.348 -3.265 1.00 0.00 C ATOM 1481 CD1 TYR B 47 1.820 -8.111 -2.898 1.00 0.00 C ATOM 1482 CD2 TYR B 47 0.525 -9.419 -4.410 1.00 0.00 C ATOM 1483 CE1 TYR B 47 1.557 -6.983 -3.648 1.00 0.00 C ATOM 1484 CE2 TYR B 47 0.259 -8.293 -5.164 1.00 0.00 C ATOM 1485 CZ TYR B 47 0.777 -7.077 -4.776 1.00 0.00 C ATOM 1486 OH TYR B 47 0.522 -5.951 -5.523 1.00 0.00 O ATOM 0 H TYR B 47 3.711 -10.562 -3.754 1.00 0.00 H new ATOM 0 HA TYR B 47 3.086 -9.719 -1.177 1.00 0.00 H new ATOM 0 HB2 TYR B 47 1.488 -11.463 -3.077 1.00 0.00 H new ATOM 0 HB3 TYR B 47 0.834 -10.667 -1.660 1.00 0.00 H new ATOM 0 HD1 TYR B 47 2.432 -8.030 -2.012 1.00 0.00 H new ATOM 0 HD2 TYR B 47 0.116 -10.371 -4.715 1.00 0.00 H new ATOM 0 HE1 TYR B 47 1.963 -6.028 -3.349 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -0.351 -8.365 -6.052 1.00 0.00 H new ATOM 0 HH TYR B 47 0.245 -6.213 -6.426 1.00 0.00 H new ATOM 1496 N ALA B 48 3.637 -12.915 -1.466 1.00 0.00 N ATOM 1497 CA ALA B 48 3.851 -14.169 -0.762 1.00 0.00 C ATOM 1498 C ALA B 48 4.769 -14.013 0.451 1.00 0.00 C ATOM 1499 O ALA B 48 4.801 -14.890 1.309 1.00 0.00 O ATOM 1500 CB ALA B 48 4.433 -15.200 -1.717 1.00 0.00 C ATOM 0 H ALA B 48 3.947 -12.931 -2.437 1.00 0.00 H new ATOM 0 HA ALA B 48 2.881 -14.502 -0.392 1.00 0.00 H new ATOM 0 HB1 ALA B 48 4.592 -16.139 -1.186 1.00 0.00 H new ATOM 0 HB2 ALA B 48 3.740 -15.363 -2.543 1.00 0.00 H new ATOM 0 HB3 ALA B 48 5.384 -14.838 -2.107 1.00 0.00 H new ATOM 1506 N ASP B 49 5.510 -12.909 0.517 1.00 0.00 N ATOM 1507 CA ASP B 49 6.430 -12.662 1.617 1.00 0.00 C ATOM 1508 C ASP B 49 5.968 -11.498 2.484 1.00 0.00 C ATOM 1509 O ASP B 49 6.595 -11.180 3.499 1.00 0.00 O ATOM 1510 CB ASP B 49 7.815 -12.366 1.080 1.00 0.00 C ATOM 1511 CG ASP B 49 8.495 -13.588 0.497 1.00 0.00 C ATOM 1512 OD1 ASP B 49 9.167 -14.315 1.256 1.00 0.00 O ATOM 1513 OD2 ASP B 49 8.348 -13.839 -0.721 1.00 0.00 O ATOM 0 H ASP B 49 5.488 -12.169 -0.185 1.00 0.00 H new ATOM 0 HA ASP B 49 6.454 -13.561 2.233 1.00 0.00 H new ATOM 0 HB2 ASP B 49 7.745 -11.595 0.313 1.00 0.00 H new ATOM 0 HB3 ASP B 49 8.432 -11.962 1.883 1.00 0.00 H new ATOM 1518 N ILE B 50 4.870 -10.864 2.105 1.00 0.00 N ATOM 1519 CA ILE B 50 4.359 -9.756 2.886 1.00 0.00 C ATOM 1520 C ILE B 50 3.321 -10.317 3.845 1.00 0.00 C ATOM 1521 O ILE B 50 2.468 -11.103 3.439 1.00 0.00 O ATOM 1522 CB ILE B 50 3.676 -8.668 2.028 1.00 0.00 C ATOM 1523 CG1 ILE B 50 4.237 -8.617 0.603 1.00 0.00 C ATOM 1524 CG2 ILE B 50 3.849 -7.307 2.697 1.00 0.00 C ATOM 1525 CD1 ILE B 50 5.665 -8.160 0.506 1.00 0.00 C ATOM 0 H ILE B 50 4.325 -11.095 1.274 1.00 0.00 H new ATOM 0 HA ILE B 50 5.202 -9.287 3.393 1.00 0.00 H new ATOM 0 HB ILE B 50 2.618 -8.921 1.955 1.00 0.00 H new ATOM 0 HG12 ILE B 50 4.157 -9.610 0.160 1.00 0.00 H new ATOM 0 HG13 ILE B 50 3.615 -7.950 0.006 1.00 0.00 H new ATOM 0 HG21 ILE B 50 3.367 -6.540 2.091 1.00 0.00 H new ATOM 0 HG22 ILE B 50 3.393 -7.327 3.687 1.00 0.00 H new ATOM 0 HG23 ILE B 50 4.911 -7.080 2.792 1.00 0.00 H new ATOM 0 HD11 ILE B 50 5.975 -8.156 -0.539 1.00 0.00 H new ATOM 0 HD12 ILE B 50 5.754 -7.154 0.915 1.00 0.00 H new ATOM 0 HD13 ILE B 50 6.303 -8.839 1.071 1.00 0.00 H new ATOM 1537 N LYS B 51 3.385 -9.955 5.112 1.00 0.00 N ATOM 1538 CA LYS B 51 2.411 -10.474 6.056 1.00 0.00 C ATOM 1539 C LYS B 51 1.317 -9.457 6.321 1.00 0.00 C ATOM 1540 O LYS B 51 0.154 -9.813 6.515 1.00 0.00 O ATOM 1541 CB LYS B 51 3.060 -10.866 7.375 1.00 0.00 C ATOM 1542 CG LYS B 51 2.284 -11.949 8.104 1.00 0.00 C ATOM 1543 CD LYS B 51 2.204 -11.681 9.593 1.00 0.00 C ATOM 1544 CE LYS B 51 1.209 -10.571 9.926 1.00 0.00 C ATOM 1545 NZ LYS B 51 -0.081 -10.709 9.191 1.00 0.00 N ATOM 0 H LYS B 51 4.081 -9.321 5.505 1.00 0.00 H new ATOM 0 HA LYS B 51 1.976 -11.365 5.603 1.00 0.00 H new ATOM 0 HB2 LYS B 51 4.076 -11.215 7.187 1.00 0.00 H new ATOM 0 HB3 LYS B 51 3.138 -9.986 8.014 1.00 0.00 H new ATOM 0 HG2 LYS B 51 1.277 -12.014 7.692 1.00 0.00 H new ATOM 0 HG3 LYS B 51 2.761 -12.914 7.934 1.00 0.00 H new ATOM 0 HD2 LYS B 51 1.912 -12.595 10.110 1.00 0.00 H new ATOM 0 HD3 LYS B 51 3.191 -11.406 9.965 1.00 0.00 H new ATOM 0 HE2 LYS B 51 1.013 -10.575 10.998 1.00 0.00 H new ATOM 0 HE3 LYS B 51 1.656 -9.606 9.688 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -0.849 -10.294 9.757 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -0.016 -10.213 8.279 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -0.279 -11.716 9.024 1.00 0.00 H new ATOM 1559 N CYS B 52 1.703 -8.195 6.338 1.00 0.00 N ATOM 1560 CA CYS B 52 0.776 -7.112 6.596 1.00 0.00 C ATOM 1561 C CYS B 52 1.419 -5.786 6.228 1.00 0.00 C ATOM 1562 O CYS B 52 2.544 -5.751 5.727 1.00 0.00 O ATOM 1563 CB CYS B 52 0.331 -7.108 8.062 1.00 0.00 C ATOM 1564 SG CYS B 52 1.662 -7.298 9.266 1.00 0.00 S ATOM 0 H CYS B 52 2.664 -7.894 6.174 1.00 0.00 H new ATOM 0 HA CYS B 52 -0.111 -7.259 5.980 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -0.191 -6.173 8.265 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -0.389 -7.913 8.209 1.00 0.00 H new ATOM 0 HG CYS B 52 1.155 -7.434 10.455 1.00 0.00 H new ATOM 1570 N GLN B 53 0.704 -4.707 6.460 1.00 0.00 N ATOM 1571 CA GLN B 53 1.201 -3.385 6.151 1.00 0.00 C ATOM 1572 C GLN B 53 0.580 -2.402 7.110 1.00 0.00 C ATOM 1573 O GLN B 53 -0.500 -2.635 7.598 1.00 0.00 O ATOM 1574 CB GLN B 53 0.845 -2.999 4.711 1.00 0.00 C ATOM 1575 CG GLN B 53 -0.545 -2.397 4.578 1.00 0.00 C ATOM 1576 CD GLN B 53 -1.231 -2.772 3.289 1.00 0.00 C ATOM 1577 OE1 GLN B 53 -1.166 -2.045 2.307 1.00 0.00 O ATOM 1578 NE2 GLN B 53 -1.894 -3.917 3.286 1.00 0.00 N ATOM 0 H GLN B 53 -0.232 -4.721 6.865 1.00 0.00 H new ATOM 0 HA GLN B 53 2.286 -3.374 6.249 1.00 0.00 H new ATOM 0 HB2 GLN B 53 1.580 -2.284 4.341 1.00 0.00 H new ATOM 0 HB3 GLN B 53 0.913 -3.883 4.077 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -1.158 -2.725 5.418 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -0.472 -1.311 4.641 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -1.922 -4.492 4.128 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -2.377 -4.224 2.442 1.00 0.00 H new ATOM 1587 N LYS B 54 1.252 -1.330 7.410 1.00 0.00 N ATOM 1588 CA LYS B 54 0.680 -0.346 8.296 1.00 0.00 C ATOM 1589 C LYS B 54 0.705 0.997 7.589 1.00 0.00 C ATOM 1590 O LYS B 54 1.571 1.243 6.762 1.00 0.00 O ATOM 1591 CB LYS B 54 1.402 -0.307 9.636 1.00 0.00 C ATOM 1592 CG LYS B 54 1.758 -1.671 10.206 1.00 0.00 C ATOM 1593 CD LYS B 54 2.308 -1.557 11.620 1.00 0.00 C ATOM 1594 CE LYS B 54 2.572 -2.928 12.223 1.00 0.00 C ATOM 1595 NZ LYS B 54 2.510 -2.910 13.710 1.00 0.00 N ATOM 0 H LYS B 54 2.186 -1.111 7.062 1.00 0.00 H new ATOM 0 HA LYS B 54 -0.351 -0.611 8.528 1.00 0.00 H new ATOM 0 HB2 LYS B 54 2.317 0.275 9.524 1.00 0.00 H new ATOM 0 HB3 LYS B 54 0.776 0.220 10.356 1.00 0.00 H new ATOM 0 HG2 LYS B 54 0.873 -2.308 10.209 1.00 0.00 H new ATOM 0 HG3 LYS B 54 2.496 -2.153 9.565 1.00 0.00 H new ATOM 0 HD2 LYS B 54 3.232 -0.979 11.607 1.00 0.00 H new ATOM 0 HD3 LYS B 54 1.600 -1.013 12.245 1.00 0.00 H new ATOM 0 HE2 LYS B 54 1.840 -3.639 11.839 1.00 0.00 H new ATOM 0 HE3 LYS B 54 3.554 -3.279 11.906 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 3.221 -3.564 14.095 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 2.702 -1.947 14.054 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 1.563 -3.206 14.022 1.00 0.00 H new ATOM 1609 N ILE B 55 -0.237 1.860 7.901 1.00 0.00 N ATOM 1610 CA ILE B 55 -0.344 3.143 7.217 1.00 0.00 C ATOM 1611 C ILE B 55 -0.250 4.330 8.173 1.00 0.00 C ATOM 1612 O ILE B 55 -0.962 4.382 9.159 1.00 0.00 O ATOM 1613 CB ILE B 55 -1.694 3.180 6.485 1.00 0.00 C ATOM 1614 CG1 ILE B 55 -2.831 3.032 7.506 1.00 0.00 C ATOM 1615 CG2 ILE B 55 -1.748 2.061 5.460 1.00 0.00 C ATOM 1616 CD1 ILE B 55 -4.033 2.273 7.010 1.00 0.00 C ATOM 0 H ILE B 55 -0.942 1.703 8.622 1.00 0.00 H new ATOM 0 HA ILE B 55 0.491 3.231 6.522 1.00 0.00 H new ATOM 0 HB ILE B 55 -1.808 4.132 5.967 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -2.442 2.529 8.391 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -3.151 4.026 7.819 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -2.706 2.088 4.941 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -0.941 2.189 4.738 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -1.635 1.101 5.963 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -4.782 2.221 7.800 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -4.454 2.784 6.144 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -3.734 1.264 6.726 1.00 0.00 H new ATOM 1628 N SER B 56 0.626 5.291 7.894 1.00 0.00 N ATOM 1629 CA SER B 56 0.735 6.446 8.767 1.00 0.00 C ATOM 1630 C SER B 56 -0.462 7.334 8.500 1.00 0.00 C ATOM 1631 O SER B 56 -0.616 7.875 7.385 1.00 0.00 O ATOM 1632 CB SER B 56 2.065 7.192 8.598 1.00 0.00 C ATOM 1633 OG SER B 56 2.227 7.693 7.293 1.00 0.00 O ATOM 0 H SER B 56 1.254 5.292 7.090 1.00 0.00 H new ATOM 0 HA SER B 56 0.734 6.121 9.807 1.00 0.00 H new ATOM 0 HB2 SER B 56 2.112 8.015 9.311 1.00 0.00 H new ATOM 0 HB3 SER B 56 2.890 6.520 8.833 1.00 0.00 H new ATOM 0 HG SER B 56 2.316 8.668 7.326 1.00 0.00 H new ATOM 1639 N PRO B 57 -1.333 7.420 9.527 1.00 0.00 N ATOM 1640 CA PRO B 57 -2.614 8.146 9.511 1.00 0.00 C ATOM 1641 C PRO B 57 -2.538 9.609 9.111 1.00 0.00 C ATOM 1642 O PRO B 57 -1.467 10.226 9.088 1.00 0.00 O ATOM 1643 CB PRO B 57 -3.113 8.040 10.964 1.00 0.00 C ATOM 1644 CG PRO B 57 -1.932 7.610 11.763 1.00 0.00 C ATOM 1645 CD PRO B 57 -1.101 6.791 10.839 1.00 0.00 C ATOM 0 HA PRO B 57 -3.266 7.707 8.755 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -3.498 8.997 11.317 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -3.926 7.319 11.048 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -1.375 8.471 12.133 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -2.238 7.030 12.634 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -0.047 6.816 11.116 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -1.407 5.745 10.843 1.00 0.00 H new ATOM 1653 N GLU B 58 -3.712 10.147 8.794 1.00 0.00 N ATOM 1654 CA GLU B 58 -3.852 11.537 8.418 1.00 0.00 C ATOM 1655 C GLU B 58 -3.520 12.397 9.629 1.00 0.00 C ATOM 1656 O GLU B 58 -3.858 12.046 10.759 1.00 0.00 O ATOM 1657 CB GLU B 58 -5.276 11.815 7.920 1.00 0.00 C ATOM 1658 CG GLU B 58 -5.828 10.717 7.016 1.00 0.00 C ATOM 1659 CD GLU B 58 -7.147 11.089 6.354 1.00 0.00 C ATOM 1660 OE1 GLU B 58 -7.765 12.082 6.777 1.00 0.00 O ATOM 1661 OE2 GLU B 58 -7.560 10.384 5.401 1.00 0.00 O ATOM 0 H GLU B 58 -4.589 9.626 8.793 1.00 0.00 H new ATOM 0 HA GLU B 58 -3.168 11.776 7.603 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -5.936 11.934 8.779 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -5.285 12.760 7.378 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -5.094 10.488 6.244 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -5.967 9.809 7.602 1.00 0.00 H new ATOM 1668 N GLY B 59 -2.851 13.506 9.397 1.00 0.00 N ATOM 1669 CA GLY B 59 -2.453 14.363 10.490 1.00 0.00 C ATOM 1670 C GLY B 59 -0.949 14.409 10.598 1.00 0.00 C ATOM 1671 O GLY B 59 -0.379 15.366 11.120 1.00 0.00 O ATOM 0 H GLY B 59 -2.574 13.832 8.471 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -2.844 15.368 10.334 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -2.880 13.996 11.423 1.00 0.00 H new ATOM 1675 N LYS B 60 -0.304 13.350 10.111 1.00 0.00 N ATOM 1676 CA LYS B 60 1.147 13.282 10.103 1.00 0.00 C ATOM 1677 C LYS B 60 1.669 14.247 9.049 1.00 0.00 C ATOM 1678 O LYS B 60 0.901 14.734 8.220 1.00 0.00 O ATOM 1679 CB LYS B 60 1.637 11.858 9.792 1.00 0.00 C ATOM 1680 CG LYS B 60 1.818 10.971 11.019 1.00 0.00 C ATOM 1681 CD LYS B 60 2.918 9.933 10.801 1.00 0.00 C ATOM 1682 CE LYS B 60 3.087 9.013 12.006 1.00 0.00 C ATOM 1683 NZ LYS B 60 2.940 9.748 13.291 1.00 0.00 N ATOM 0 H LYS B 60 -0.767 12.531 9.718 1.00 0.00 H new ATOM 0 HA LYS B 60 1.521 13.554 11.090 1.00 0.00 H new ATOM 0 HB2 LYS B 60 0.926 11.382 9.117 1.00 0.00 H new ATOM 0 HB3 LYS B 60 2.587 11.922 9.262 1.00 0.00 H new ATOM 0 HG2 LYS B 60 2.065 11.588 11.883 1.00 0.00 H new ATOM 0 HG3 LYS B 60 0.879 10.466 11.246 1.00 0.00 H new ATOM 0 HD2 LYS B 60 2.683 9.336 9.920 1.00 0.00 H new ATOM 0 HD3 LYS B 60 3.861 10.442 10.599 1.00 0.00 H new ATOM 0 HE2 LYS B 60 2.348 8.213 11.959 1.00 0.00 H new ATOM 0 HE3 LYS B 60 4.069 8.542 11.968 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 3.548 9.311 14.012 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 3.220 10.741 13.157 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 1.949 9.707 13.603 1.00 0.00 H new ATOM 1697 N ALA B 61 2.968 14.510 9.061 1.00 0.00 N ATOM 1698 CA ALA B 61 3.560 15.423 8.088 1.00 0.00 C ATOM 1699 C ALA B 61 3.450 14.867 6.675 1.00 0.00 C ATOM 1700 O ALA B 61 3.593 15.596 5.696 1.00 0.00 O ATOM 1701 CB ALA B 61 5.013 15.710 8.441 1.00 0.00 C ATOM 0 H ALA B 61 3.629 14.109 9.727 1.00 0.00 H new ATOM 0 HA ALA B 61 3.004 16.360 8.123 1.00 0.00 H new ATOM 0 HB1 ALA B 61 5.438 16.392 7.705 1.00 0.00 H new ATOM 0 HB2 ALA B 61 5.064 16.165 9.430 1.00 0.00 H new ATOM 0 HB3 ALA B 61 5.578 14.778 8.441 1.00 0.00 H new ATOM 1707 N LYS B 62 3.199 13.569 6.582 1.00 0.00 N ATOM 1708 CA LYS B 62 3.048 12.906 5.302 1.00 0.00 C ATOM 1709 C LYS B 62 2.338 11.573 5.480 1.00 0.00 C ATOM 1710 O LYS B 62 2.601 10.834 6.434 1.00 0.00 O ATOM 1711 CB LYS B 62 4.405 12.710 4.617 1.00 0.00 C ATOM 1712 CG LYS B 62 5.549 12.387 5.567 1.00 0.00 C ATOM 1713 CD LYS B 62 6.886 12.772 4.957 1.00 0.00 C ATOM 1714 CE LYS B 62 8.011 12.673 5.965 1.00 0.00 C ATOM 1715 NZ LYS B 62 8.470 11.277 6.141 1.00 0.00 N ATOM 0 H LYS B 62 3.095 12.952 7.388 1.00 0.00 H new ATOM 0 HA LYS B 62 2.440 13.542 4.659 1.00 0.00 H new ATOM 0 HB2 LYS B 62 4.317 11.905 3.887 1.00 0.00 H new ATOM 0 HB3 LYS B 62 4.653 13.616 4.064 1.00 0.00 H new ATOM 0 HG2 LYS B 62 5.407 12.919 6.508 1.00 0.00 H new ATOM 0 HG3 LYS B 62 5.544 11.322 5.800 1.00 0.00 H new ATOM 0 HD2 LYS B 62 7.099 12.122 4.109 1.00 0.00 H new ATOM 0 HD3 LYS B 62 6.831 13.790 4.572 1.00 0.00 H new ATOM 0 HE2 LYS B 62 8.847 13.292 5.639 1.00 0.00 H new ATOM 0 HE3 LYS B 62 7.676 13.069 6.924 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 8.551 11.063 7.156 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 7.784 10.628 5.704 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 9.398 11.157 5.687 1.00 0.00 H new ATOM 1729 N ILE B 63 1.418 11.296 4.574 1.00 0.00 N ATOM 1730 CA ILE B 63 0.656 10.060 4.595 1.00 0.00 C ATOM 1731 C ILE B 63 1.520 8.965 3.999 1.00 0.00 C ATOM 1732 O ILE B 63 2.024 9.108 2.885 1.00 0.00 O ATOM 1733 CB ILE B 63 -0.669 10.208 3.814 1.00 0.00 C ATOM 1734 CG1 ILE B 63 -1.567 11.265 4.477 1.00 0.00 C ATOM 1735 CG2 ILE B 63 -1.396 8.876 3.730 1.00 0.00 C ATOM 1736 CD1 ILE B 63 -1.170 12.700 4.174 1.00 0.00 C ATOM 0 H ILE B 63 1.178 11.920 3.804 1.00 0.00 H new ATOM 0 HA ILE B 63 0.390 9.807 5.621 1.00 0.00 H new ATOM 0 HB ILE B 63 -0.433 10.535 2.801 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -2.595 11.108 4.151 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -1.549 11.115 5.557 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -2.326 9.003 3.176 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -0.765 8.149 3.218 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -1.619 8.519 4.736 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -1.854 13.381 4.680 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -0.154 12.878 4.526 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -1.217 12.871 3.099 1.00 0.00 H new ATOM 1748 N GLN B 64 1.706 7.873 4.727 1.00 0.00 N ATOM 1749 CA GLN B 64 2.612 6.827 4.246 1.00 0.00 C ATOM 1750 C GLN B 64 2.095 5.411 4.482 1.00 0.00 C ATOM 1751 O GLN B 64 1.086 5.199 5.154 1.00 0.00 O ATOM 1752 CB GLN B 64 3.986 6.990 4.907 1.00 0.00 C ATOM 1753 CG GLN B 64 4.549 8.400 4.826 1.00 0.00 C ATOM 1754 CD GLN B 64 5.704 8.635 5.779 1.00 0.00 C ATOM 1755 OE1 GLN B 64 6.596 9.430 5.499 1.00 0.00 O ATOM 1756 NE2 GLN B 64 5.693 7.959 6.916 1.00 0.00 N ATOM 0 H GLN B 64 1.260 7.686 5.625 1.00 0.00 H new ATOM 0 HA GLN B 64 2.684 6.954 3.166 1.00 0.00 H new ATOM 0 HB2 GLN B 64 3.910 6.700 5.955 1.00 0.00 H new ATOM 0 HB3 GLN B 64 4.688 6.302 4.436 1.00 0.00 H new ATOM 0 HG2 GLN B 64 4.882 8.594 3.806 1.00 0.00 H new ATOM 0 HG3 GLN B 64 3.755 9.115 5.043 1.00 0.00 H new ATOM 0 HE21 GLN B 64 4.934 7.306 7.114 1.00 0.00 H new ATOM 0 HE22 GLN B 64 6.443 8.090 7.595 1.00 0.00 H new ATOM 1765 N LEU B 65 2.813 4.454 3.895 1.00 0.00 N ATOM 1766 CA LEU B 65 2.501 3.035 3.990 1.00 0.00 C ATOM 1767 C LEU B 65 3.760 2.222 4.313 1.00 0.00 C ATOM 1768 O LEU B 65 4.720 2.250 3.548 1.00 0.00 O ATOM 1769 CB LEU B 65 1.956 2.569 2.649 1.00 0.00 C ATOM 1770 CG LEU B 65 1.557 1.097 2.582 1.00 0.00 C ATOM 1771 CD1 LEU B 65 0.098 0.913 2.952 1.00 0.00 C ATOM 1772 CD2 LEU B 65 1.846 0.531 1.203 1.00 0.00 C ATOM 0 H LEU B 65 3.641 4.650 3.332 1.00 0.00 H new ATOM 0 HA LEU B 65 1.770 2.886 4.785 1.00 0.00 H new ATOM 0 HB2 LEU B 65 1.086 3.176 2.399 1.00 0.00 H new ATOM 0 HB3 LEU B 65 2.708 2.759 1.884 1.00 0.00 H new ATOM 0 HG LEU B 65 2.155 0.546 3.308 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -0.161 -0.144 2.896 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -0.068 1.274 3.967 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -0.527 1.476 2.259 1.00 0.00 H new ATOM 0 HD21 LEU B 65 1.556 -0.519 1.173 1.00 0.00 H new ATOM 0 HD22 LEU B 65 1.279 1.086 0.456 1.00 0.00 H new ATOM 0 HD23 LEU B 65 2.911 0.619 0.989 1.00 0.00 H new ATOM 1784 N GLN B 66 3.779 1.523 5.445 1.00 0.00 N ATOM 1785 CA GLN B 66 4.923 0.695 5.789 1.00 0.00 C ATOM 1786 C GLN B 66 4.563 -0.774 5.564 1.00 0.00 C ATOM 1787 O GLN B 66 3.507 -1.237 5.992 1.00 0.00 O ATOM 1788 CB GLN B 66 5.386 0.936 7.235 1.00 0.00 C ATOM 1789 CG GLN B 66 4.745 0.039 8.284 1.00 0.00 C ATOM 1790 CD GLN B 66 5.525 0.018 9.588 1.00 0.00 C ATOM 1791 OE1 GLN B 66 4.969 -0.248 10.653 1.00 0.00 O ATOM 1792 NE2 GLN B 66 6.813 0.320 9.521 1.00 0.00 N ATOM 0 H GLN B 66 3.023 1.515 6.130 1.00 0.00 H new ATOM 0 HA GLN B 66 5.759 0.966 5.144 1.00 0.00 H new ATOM 0 HB2 GLN B 66 6.467 0.803 7.279 1.00 0.00 H new ATOM 0 HB3 GLN B 66 5.182 1.974 7.496 1.00 0.00 H new ATOM 0 HG2 GLN B 66 3.729 0.382 8.478 1.00 0.00 H new ATOM 0 HG3 GLN B 66 4.670 -0.976 7.893 1.00 0.00 H new ATOM 0 HE21 GLN B 66 7.240 0.535 8.620 1.00 0.00 H new ATOM 0 HE22 GLN B 66 7.378 0.337 10.370 1.00 0.00 H new ATOM 1801 N LEU B 67 5.413 -1.495 4.859 1.00 0.00 N ATOM 1802 CA LEU B 67 5.169 -2.903 4.583 1.00 0.00 C ATOM 1803 C LEU B 67 5.828 -3.764 5.643 1.00 0.00 C ATOM 1804 O LEU B 67 6.987 -3.560 5.972 1.00 0.00 O ATOM 1805 CB LEU B 67 5.717 -3.286 3.206 1.00 0.00 C ATOM 1806 CG LEU B 67 5.006 -2.650 2.011 1.00 0.00 C ATOM 1807 CD1 LEU B 67 5.657 -3.094 0.711 1.00 0.00 C ATOM 1808 CD2 LEU B 67 3.527 -3.009 2.018 1.00 0.00 C ATOM 0 H LEU B 67 6.281 -1.131 4.465 1.00 0.00 H new ATOM 0 HA LEU B 67 4.092 -3.071 4.595 1.00 0.00 H new ATOM 0 HB2 LEU B 67 6.771 -3.013 3.166 1.00 0.00 H new ATOM 0 HB3 LEU B 67 5.664 -4.370 3.103 1.00 0.00 H new ATOM 0 HG LEU B 67 5.096 -1.567 2.090 1.00 0.00 H new ATOM 0 HD11 LEU B 67 5.140 -2.633 -0.131 1.00 0.00 H new ATOM 0 HD12 LEU B 67 6.703 -2.789 0.705 1.00 0.00 H new ATOM 0 HD13 LEU B 67 5.595 -4.179 0.625 1.00 0.00 H new ATOM 0 HD21 LEU B 67 3.037 -2.548 1.161 1.00 0.00 H new ATOM 0 HD22 LEU B 67 3.415 -4.092 1.961 1.00 0.00 H new ATOM 0 HD23 LEU B 67 3.069 -2.645 2.937 1.00 0.00 H new ATOM 1820 N VAL B 68 5.081 -4.706 6.187 1.00 0.00 N ATOM 1821 CA VAL B 68 5.604 -5.606 7.201 1.00 0.00 C ATOM 1822 C VAL B 68 5.674 -7.019 6.639 1.00 0.00 C ATOM 1823 O VAL B 68 4.649 -7.675 6.428 1.00 0.00 O ATOM 1824 CB VAL B 68 4.733 -5.598 8.479 1.00 0.00 C ATOM 1825 CG1 VAL B 68 5.236 -6.621 9.489 1.00 0.00 C ATOM 1826 CG2 VAL B 68 4.693 -4.206 9.093 1.00 0.00 C ATOM 0 H VAL B 68 4.104 -4.869 5.943 1.00 0.00 H new ATOM 0 HA VAL B 68 6.601 -5.261 7.475 1.00 0.00 H new ATOM 0 HB VAL B 68 3.717 -5.876 8.198 1.00 0.00 H new ATOM 0 HG11 VAL B 68 4.606 -6.595 10.378 1.00 0.00 H new ATOM 0 HG12 VAL B 68 5.199 -7.617 9.047 1.00 0.00 H new ATOM 0 HG13 VAL B 68 6.264 -6.385 9.765 1.00 0.00 H new ATOM 0 HG21 VAL B 68 4.075 -4.222 9.991 1.00 0.00 H new ATOM 0 HG22 VAL B 68 5.704 -3.894 9.354 1.00 0.00 H new ATOM 0 HG23 VAL B 68 4.271 -3.503 8.375 1.00 0.00 H new ATOM 1836 N LEU B 69 6.881 -7.480 6.376 1.00 0.00 N ATOM 1837 CA LEU B 69 7.074 -8.805 5.823 1.00 0.00 C ATOM 1838 C LEU B 69 7.165 -9.824 6.945 1.00 0.00 C ATOM 1839 O LEU B 69 7.712 -9.534 8.009 1.00 0.00 O ATOM 1840 CB LEU B 69 8.329 -8.862 4.954 1.00 0.00 C ATOM 1841 CG LEU B 69 8.461 -7.742 3.920 1.00 0.00 C ATOM 1842 CD1 LEU B 69 9.383 -8.159 2.792 1.00 0.00 C ATOM 1843 CD2 LEU B 69 7.115 -7.342 3.354 1.00 0.00 C ATOM 0 H LEU B 69 7.742 -6.957 6.536 1.00 0.00 H new ATOM 0 HA LEU B 69 6.218 -9.041 5.191 1.00 0.00 H new ATOM 0 HB2 LEU B 69 9.203 -8.838 5.605 1.00 0.00 H new ATOM 0 HB3 LEU B 69 8.347 -9.819 4.433 1.00 0.00 H new ATOM 0 HG LEU B 69 8.887 -6.880 4.433 1.00 0.00 H new ATOM 0 HD11 LEU B 69 9.462 -7.348 2.068 1.00 0.00 H new ATOM 0 HD12 LEU B 69 10.371 -8.385 3.194 1.00 0.00 H new ATOM 0 HD13 LEU B 69 8.980 -9.045 2.301 1.00 0.00 H new ATOM 0 HD21 LEU B 69 7.250 -6.544 2.623 1.00 0.00 H new ATOM 0 HD22 LEU B 69 6.653 -8.203 2.870 1.00 0.00 H new ATOM 0 HD23 LEU B 69 6.471 -6.990 4.160 1.00 0.00 H new ATOM 1855 N HIS B 70 6.656 -11.024 6.705 1.00 0.00 N ATOM 1856 CA HIS B 70 6.684 -12.075 7.721 1.00 0.00 C ATOM 1857 C HIS B 70 8.071 -12.703 7.816 1.00 0.00 C ATOM 1858 O HIS B 70 8.272 -13.689 8.524 1.00 0.00 O ATOM 1859 CB HIS B 70 5.616 -13.146 7.453 1.00 0.00 C ATOM 1860 CG HIS B 70 5.429 -13.499 6.009 1.00 0.00 C ATOM 1861 ND1 HIS B 70 4.289 -13.222 5.287 1.00 0.00 N ATOM 1862 CD2 HIS B 70 6.258 -14.141 5.155 1.00 0.00 C ATOM 1863 CE1 HIS B 70 4.466 -13.700 4.053 1.00 0.00 C ATOM 1864 NE2 HIS B 70 5.639 -14.273 3.932 1.00 0.00 N ATOM 0 H HIS B 70 6.221 -11.296 5.824 1.00 0.00 H new ATOM 0 HA HIS B 70 6.453 -11.612 8.680 1.00 0.00 H new ATOM 0 HB2 HIS B 70 5.882 -14.049 8.002 1.00 0.00 H new ATOM 0 HB3 HIS B 70 4.664 -12.798 7.854 1.00 0.00 H new ATOM 0 HD2 HIS B 70 7.250 -14.495 5.395 1.00 0.00 H new ATOM 0 HE1 HIS B 70 3.738 -13.625 3.259 1.00 0.00 H new ATOM 0 HE2 HIS B 70 6.017 -14.725 3.100 1.00 0.00 H new ATOM 1872 N ALA B 71 9.016 -12.122 7.091 1.00 0.00 N ATOM 1873 CA ALA B 71 10.392 -12.586 7.100 1.00 0.00 C ATOM 1874 C ALA B 71 11.224 -11.722 8.040 1.00 0.00 C ATOM 1875 O ALA B 71 12.414 -11.960 8.234 1.00 0.00 O ATOM 1876 CB ALA B 71 10.971 -12.549 5.693 1.00 0.00 C ATOM 0 H ALA B 71 8.850 -11.320 6.483 1.00 0.00 H new ATOM 0 HA ALA B 71 10.416 -13.616 7.455 1.00 0.00 H new ATOM 0 HB1 ALA B 71 12.003 -12.899 5.715 1.00 0.00 H new ATOM 0 HB2 ALA B 71 10.383 -13.194 5.040 1.00 0.00 H new ATOM 0 HB3 ALA B 71 10.943 -11.527 5.315 1.00 0.00 H new ATOM 1882 N GLY B 72 10.580 -10.714 8.623 1.00 0.00 N ATOM 1883 CA GLY B 72 11.264 -9.818 9.533 1.00 0.00 C ATOM 1884 C GLY B 72 11.795 -8.588 8.829 1.00 0.00 C ATOM 1885 O GLY B 72 12.854 -8.072 9.179 1.00 0.00 O ATOM 0 H GLY B 72 9.592 -10.503 8.479 1.00 0.00 H new ATOM 0 HA2 GLY B 72 10.580 -9.515 10.325 1.00 0.00 H new ATOM 0 HA3 GLY B 72 12.089 -10.347 10.010 1.00 0.00 H new ATOM 1889 N ASP B 73 11.050 -8.115 7.838 1.00 0.00 N ATOM 1890 CA ASP B 73 11.450 -6.941 7.069 1.00 0.00 C ATOM 1891 C ASP B 73 10.316 -5.921 7.023 1.00 0.00 C ATOM 1892 O ASP B 73 9.146 -6.285 7.147 1.00 0.00 O ATOM 1893 CB ASP B 73 11.847 -7.351 5.647 1.00 0.00 C ATOM 1894 CG ASP B 73 12.233 -6.164 4.785 1.00 0.00 C ATOM 1895 OD1 ASP B 73 12.988 -5.300 5.274 1.00 0.00 O ATOM 1896 OD2 ASP B 73 11.774 -6.095 3.627 1.00 0.00 O ATOM 0 H ASP B 73 10.163 -8.527 7.547 1.00 0.00 H new ATOM 0 HA ASP B 73 12.310 -6.483 7.558 1.00 0.00 H new ATOM 0 HB2 ASP B 73 12.683 -8.049 5.694 1.00 0.00 H new ATOM 0 HB3 ASP B 73 11.016 -7.880 5.180 1.00 0.00 H new ATOM 1901 N THR B 74 10.662 -4.652 6.851 1.00 0.00 N ATOM 1902 CA THR B 74 9.679 -3.581 6.788 1.00 0.00 C ATOM 1903 C THR B 74 10.112 -2.515 5.784 1.00 0.00 C ATOM 1904 O THR B 74 11.249 -2.052 5.819 1.00 0.00 O ATOM 1905 CB THR B 74 9.471 -2.920 8.166 1.00 0.00 C ATOM 1906 OG1 THR B 74 10.733 -2.764 8.830 1.00 0.00 O ATOM 1907 CG2 THR B 74 8.532 -3.740 9.039 1.00 0.00 C ATOM 0 H THR B 74 11.627 -4.338 6.752 1.00 0.00 H new ATOM 0 HA THR B 74 8.737 -4.027 6.469 1.00 0.00 H new ATOM 0 HB THR B 74 9.018 -1.942 8.003 1.00 0.00 H new ATOM 0 HG1 THR B 74 10.593 -2.342 9.703 1.00 0.00 H new ATOM 0 HG21 THR B 74 8.407 -3.246 10.003 1.00 0.00 H new ATOM 0 HG22 THR B 74 7.563 -3.828 8.548 1.00 0.00 H new ATOM 0 HG23 THR B 74 8.953 -4.734 9.192 1.00 0.00 H new ATOM 1915 N THR B 75 9.202 -2.120 4.902 1.00 0.00 N ATOM 1916 CA THR B 75 9.507 -1.111 3.895 1.00 0.00 C ATOM 1917 C THR B 75 8.592 0.109 4.033 1.00 0.00 C ATOM 1918 O THR B 75 7.381 0.006 3.851 1.00 0.00 O ATOM 1919 CB THR B 75 9.348 -1.701 2.484 1.00 0.00 C ATOM 1920 OG1 THR B 75 9.631 -3.108 2.512 1.00 0.00 O ATOM 1921 CG2 THR B 75 10.278 -1.011 1.497 1.00 0.00 C ATOM 0 H THR B 75 8.249 -2.482 4.863 1.00 0.00 H new ATOM 0 HA THR B 75 10.539 -0.795 4.050 1.00 0.00 H new ATOM 0 HB THR B 75 8.320 -1.540 2.159 1.00 0.00 H new ATOM 0 HG1 THR B 75 9.375 -3.510 1.656 1.00 0.00 H new ATOM 0 HG21 THR B 75 10.146 -1.447 0.507 1.00 0.00 H new ATOM 0 HG22 THR B 75 10.044 0.053 1.459 1.00 0.00 H new ATOM 0 HG23 THR B 75 11.311 -1.144 1.817 1.00 0.00 H new ATOM 1929 N ASN B 76 9.170 1.260 4.357 1.00 0.00 N ATOM 1930 CA ASN B 76 8.395 2.493 4.516 1.00 0.00 C ATOM 1931 C ASN B 76 8.250 3.239 3.189 1.00 0.00 C ATOM 1932 O ASN B 76 9.245 3.574 2.543 1.00 0.00 O ATOM 1933 CB ASN B 76 9.066 3.410 5.534 1.00 0.00 C ATOM 1934 CG ASN B 76 8.707 3.062 6.960 1.00 0.00 C ATOM 1935 OD1 ASN B 76 8.310 1.938 7.268 1.00 0.00 O ATOM 1936 ND2 ASN B 76 8.842 4.028 7.846 1.00 0.00 N ATOM 0 H ASN B 76 10.172 1.369 4.515 1.00 0.00 H new ATOM 0 HA ASN B 76 7.402 2.212 4.867 1.00 0.00 H new ATOM 0 HB2 ASN B 76 10.148 3.352 5.412 1.00 0.00 H new ATOM 0 HB3 ASN B 76 8.778 4.442 5.333 1.00 0.00 H new ATOM 0 HD21 ASN B 76 8.615 3.857 8.826 1.00 0.00 H new ATOM 0 HD22 ASN B 76 9.174 4.947 7.552 1.00 0.00 H new ATOM 1943 N PHE B 77 7.012 3.495 2.783 1.00 0.00 N ATOM 1944 CA PHE B 77 6.737 4.217 1.543 1.00 0.00 C ATOM 1945 C PHE B 77 5.971 5.509 1.830 1.00 0.00 C ATOM 1946 O PHE B 77 4.833 5.474 2.296 1.00 0.00 O ATOM 1947 CB PHE B 77 5.933 3.342 0.575 1.00 0.00 C ATOM 1948 CG PHE B 77 6.763 2.344 -0.182 1.00 0.00 C ATOM 1949 CD1 PHE B 77 7.813 2.761 -0.982 1.00 0.00 C ATOM 1950 CD2 PHE B 77 6.488 0.986 -0.100 1.00 0.00 C ATOM 1951 CE1 PHE B 77 8.574 1.847 -1.686 1.00 0.00 C ATOM 1952 CE2 PHE B 77 7.246 0.068 -0.802 1.00 0.00 C ATOM 1953 CZ PHE B 77 8.290 0.499 -1.595 1.00 0.00 C ATOM 0 H PHE B 77 6.177 3.212 3.297 1.00 0.00 H new ATOM 0 HA PHE B 77 7.692 4.468 1.081 1.00 0.00 H new ATOM 0 HB2 PHE B 77 5.165 2.809 1.136 1.00 0.00 H new ATOM 0 HB3 PHE B 77 5.418 3.986 -0.138 1.00 0.00 H new ATOM 0 HD1 PHE B 77 8.040 3.814 -1.057 1.00 0.00 H new ATOM 0 HD2 PHE B 77 5.673 0.643 0.519 1.00 0.00 H new ATOM 0 HE1 PHE B 77 9.390 2.187 -2.307 1.00 0.00 H new ATOM 0 HE2 PHE B 77 7.021 -0.986 -0.730 1.00 0.00 H new ATOM 0 HZ PHE B 77 8.884 -0.217 -2.144 1.00 0.00 H new ATOM 1963 N HIS B 78 6.608 6.639 1.555 1.00 0.00 N ATOM 1964 CA HIS B 78 6.016 7.955 1.773 1.00 0.00 C ATOM 1965 C HIS B 78 5.268 8.422 0.519 1.00 0.00 C ATOM 1966 O HIS B 78 5.842 8.496 -0.563 1.00 0.00 O ATOM 1967 CB HIS B 78 7.147 8.931 2.158 1.00 0.00 C ATOM 1968 CG HIS B 78 6.871 10.398 1.952 1.00 0.00 C ATOM 1969 ND1 HIS B 78 7.866 11.327 1.741 1.00 0.00 N ATOM 1970 CD2 HIS B 78 5.704 11.092 1.907 1.00 0.00 C ATOM 1971 CE1 HIS B 78 7.289 12.524 1.575 1.00 0.00 C ATOM 1972 NE2 HIS B 78 5.979 12.436 1.666 1.00 0.00 N ATOM 0 H HIS B 78 7.553 6.671 1.173 1.00 0.00 H new ATOM 0 HA HIS B 78 5.284 7.915 2.580 1.00 0.00 H new ATOM 0 HB2 HIS B 78 7.389 8.774 3.209 1.00 0.00 H new ATOM 0 HB3 HIS B 78 8.035 8.667 1.583 1.00 0.00 H new ATOM 0 HD1 HIS B 78 8.868 11.136 1.716 1.00 0.00 H new ATOM 0 HD2 HIS B 78 4.719 10.669 2.037 1.00 0.00 H new ATOM 0 HE1 HIS B 78 7.828 13.441 1.391 1.00 0.00 H new ATOM 1980 N PHE B 79 3.987 8.725 0.668 1.00 0.00 N ATOM 1981 CA PHE B 79 3.184 9.201 -0.452 1.00 0.00 C ATOM 1982 C PHE B 79 3.266 10.721 -0.521 1.00 0.00 C ATOM 1983 O PHE B 79 2.710 11.421 0.324 1.00 0.00 O ATOM 1984 CB PHE B 79 1.727 8.750 -0.308 1.00 0.00 C ATOM 1985 CG PHE B 79 1.524 7.275 -0.520 1.00 0.00 C ATOM 1986 CD1 PHE B 79 1.924 6.358 0.439 1.00 0.00 C ATOM 1987 CD2 PHE B 79 0.930 6.807 -1.681 1.00 0.00 C ATOM 1988 CE1 PHE B 79 1.735 5.004 0.243 1.00 0.00 C ATOM 1989 CE2 PHE B 79 0.739 5.453 -1.880 1.00 0.00 C ATOM 1990 CZ PHE B 79 1.142 4.550 -0.918 1.00 0.00 C ATOM 0 H PHE B 79 3.481 8.651 1.550 1.00 0.00 H new ATOM 0 HA PHE B 79 3.576 8.775 -1.376 1.00 0.00 H new ATOM 0 HB2 PHE B 79 1.371 9.017 0.687 1.00 0.00 H new ATOM 0 HB3 PHE B 79 1.114 9.298 -1.024 1.00 0.00 H new ATOM 0 HD1 PHE B 79 2.389 6.706 1.350 1.00 0.00 H new ATOM 0 HD2 PHE B 79 0.613 7.508 -2.439 1.00 0.00 H new ATOM 0 HE1 PHE B 79 2.051 4.300 0.998 1.00 0.00 H new ATOM 0 HE2 PHE B 79 0.274 5.101 -2.789 1.00 0.00 H new ATOM 0 HZ PHE B 79 0.994 3.491 -1.073 1.00 0.00 H new ATOM 2000 N SER B 80 3.963 11.227 -1.529 1.00 0.00 N ATOM 2001 CA SER B 80 4.145 12.664 -1.680 1.00 0.00 C ATOM 2002 C SER B 80 3.285 13.241 -2.801 1.00 0.00 C ATOM 2003 O SER B 80 3.509 14.367 -3.245 1.00 0.00 O ATOM 2004 CB SER B 80 5.621 12.978 -1.936 1.00 0.00 C ATOM 2005 OG SER B 80 6.180 12.082 -2.885 1.00 0.00 O ATOM 0 H SER B 80 4.411 10.665 -2.253 1.00 0.00 H new ATOM 0 HA SER B 80 3.824 13.134 -0.750 1.00 0.00 H new ATOM 0 HB2 SER B 80 5.720 14.002 -2.296 1.00 0.00 H new ATOM 0 HB3 SER B 80 6.177 12.914 -1.000 1.00 0.00 H new ATOM 0 HG SER B 80 5.461 11.670 -3.409 1.00 0.00 H new ATOM 2011 N ASN B 81 2.306 12.478 -3.269 1.00 0.00 N ATOM 2012 CA ASN B 81 1.430 12.965 -4.324 1.00 0.00 C ATOM 2013 C ASN B 81 0.378 13.865 -3.700 1.00 0.00 C ATOM 2014 O ASN B 81 -0.672 13.406 -3.268 1.00 0.00 O ATOM 2015 CB ASN B 81 0.770 11.816 -5.087 1.00 0.00 C ATOM 2016 CG ASN B 81 0.298 12.248 -6.464 1.00 0.00 C ATOM 2017 OD1 ASN B 81 0.946 13.056 -7.133 1.00 0.00 O ATOM 2018 ND2 ASN B 81 -0.828 11.716 -6.900 1.00 0.00 N ATOM 0 H ASN B 81 2.101 11.534 -2.941 1.00 0.00 H new ATOM 0 HA ASN B 81 2.023 13.525 -5.047 1.00 0.00 H new ATOM 0 HB2 ASN B 81 1.478 10.993 -5.187 1.00 0.00 H new ATOM 0 HB3 ASN B 81 -0.078 11.439 -4.514 1.00 0.00 H new ATOM 0 HD21 ASN B 81 -1.190 11.970 -7.819 1.00 0.00 H new ATOM 0 HD22 ASN B 81 -1.337 11.051 -6.318 1.00 0.00 H new ATOM 2025 N GLU B 82 0.686 15.151 -3.658 1.00 0.00 N ATOM 2026 CA GLU B 82 -0.170 16.168 -3.050 1.00 0.00 C ATOM 2027 C GLU B 82 -1.654 16.062 -3.435 1.00 0.00 C ATOM 2028 O GLU B 82 -2.517 16.481 -2.665 1.00 0.00 O ATOM 2029 CB GLU B 82 0.360 17.568 -3.397 1.00 0.00 C ATOM 2030 CG GLU B 82 0.104 18.007 -4.838 1.00 0.00 C ATOM 2031 CD GLU B 82 0.728 17.083 -5.867 1.00 0.00 C ATOM 2032 OE1 GLU B 82 1.949 17.178 -6.103 1.00 0.00 O ATOM 2033 OE2 GLU B 82 0.003 16.241 -6.438 1.00 0.00 O ATOM 0 H GLU B 82 1.549 15.528 -4.050 1.00 0.00 H new ATOM 0 HA GLU B 82 -0.128 15.992 -1.975 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -0.098 18.293 -2.724 1.00 0.00 H new ATOM 0 HB3 GLU B 82 1.433 17.592 -3.209 1.00 0.00 H new ATOM 0 HG2 GLU B 82 -0.971 18.057 -5.010 1.00 0.00 H new ATOM 0 HG3 GLU B 82 0.497 19.014 -4.979 1.00 0.00 H new ATOM 2040 N SER B 83 -1.950 15.507 -4.602 1.00 0.00 N ATOM 2041 CA SER B 83 -3.330 15.395 -5.050 1.00 0.00 C ATOM 2042 C SER B 83 -4.153 14.431 -4.182 1.00 0.00 C ATOM 2043 O SER B 83 -5.122 14.842 -3.543 1.00 0.00 O ATOM 2044 CB SER B 83 -3.358 14.942 -6.511 1.00 0.00 C ATOM 2045 OG SER B 83 -2.515 15.754 -7.319 1.00 0.00 O ATOM 0 H SER B 83 -1.259 15.130 -5.251 1.00 0.00 H new ATOM 0 HA SER B 83 -3.788 16.379 -4.955 1.00 0.00 H new ATOM 0 HB2 SER B 83 -3.038 13.902 -6.578 1.00 0.00 H new ATOM 0 HB3 SER B 83 -4.380 14.986 -6.888 1.00 0.00 H new ATOM 0 HG SER B 83 -1.599 15.721 -6.972 1.00 0.00 H new ATOM 2051 N THR B 84 -3.776 13.156 -4.147 1.00 0.00 N ATOM 2052 CA THR B 84 -4.515 12.178 -3.354 1.00 0.00 C ATOM 2053 C THR B 84 -3.600 11.250 -2.562 1.00 0.00 C ATOM 2054 O THR B 84 -3.969 10.109 -2.316 1.00 0.00 O ATOM 2055 CB THR B 84 -5.444 11.333 -4.247 1.00 0.00 C ATOM 2056 OG1 THR B 84 -4.856 11.155 -5.542 1.00 0.00 O ATOM 2057 CG2 THR B 84 -6.807 11.995 -4.393 1.00 0.00 C ATOM 0 H THR B 84 -2.974 12.779 -4.651 1.00 0.00 H new ATOM 0 HA THR B 84 -5.108 12.752 -2.643 1.00 0.00 H new ATOM 0 HB THR B 84 -5.577 10.361 -3.772 1.00 0.00 H new ATOM 0 HG1 THR B 84 -3.905 10.938 -5.443 1.00 0.00 H new ATOM 0 HG21 THR B 84 -7.444 11.379 -5.028 1.00 0.00 H new ATOM 0 HG22 THR B 84 -7.267 12.101 -3.411 1.00 0.00 H new ATOM 0 HG23 THR B 84 -6.687 12.979 -4.845 1.00 0.00 H new ATOM 2065 N ALA B 85 -2.432 11.742 -2.142 1.00 0.00 N ATOM 2066 CA ALA B 85 -1.458 10.934 -1.389 1.00 0.00 C ATOM 2067 C ALA B 85 -2.123 10.099 -0.305 1.00 0.00 C ATOM 2068 O ALA B 85 -1.790 8.932 -0.103 1.00 0.00 O ATOM 2069 CB ALA B 85 -0.403 11.831 -0.758 1.00 0.00 C ATOM 0 H ALA B 85 -2.133 12.702 -2.310 1.00 0.00 H new ATOM 0 HA ALA B 85 -0.990 10.253 -2.100 1.00 0.00 H new ATOM 0 HB1 ALA B 85 0.310 11.220 -0.205 1.00 0.00 H new ATOM 0 HB2 ALA B 85 0.121 12.382 -1.539 1.00 0.00 H new ATOM 0 HB3 ALA B 85 -0.883 12.534 -0.078 1.00 0.00 H new ATOM 2075 N VAL B 86 -3.078 10.708 0.371 1.00 0.00 N ATOM 2076 CA VAL B 86 -3.801 10.050 1.442 1.00 0.00 C ATOM 2077 C VAL B 86 -4.632 8.878 0.934 1.00 0.00 C ATOM 2078 O VAL B 86 -4.542 7.765 1.451 1.00 0.00 O ATOM 2079 CB VAL B 86 -4.751 11.029 2.155 1.00 0.00 C ATOM 2080 CG1 VAL B 86 -5.106 10.501 3.530 1.00 0.00 C ATOM 2081 CG2 VAL B 86 -4.145 12.422 2.244 1.00 0.00 C ATOM 0 H VAL B 86 -3.374 11.668 0.195 1.00 0.00 H new ATOM 0 HA VAL B 86 -3.044 9.684 2.136 1.00 0.00 H new ATOM 0 HB VAL B 86 -5.665 11.110 1.567 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -5.778 11.201 4.026 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -5.597 9.533 3.432 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -4.198 10.389 4.122 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -4.841 13.090 2.753 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -3.210 12.377 2.803 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -3.949 12.799 1.240 1.00 0.00 H new ATOM 2091 N LYS B 87 -5.417 9.125 -0.103 1.00 0.00 N ATOM 2092 CA LYS B 87 -6.312 8.102 -0.628 1.00 0.00 C ATOM 2093 C LYS B 87 -5.597 7.127 -1.548 1.00 0.00 C ATOM 2094 O LYS B 87 -6.039 5.991 -1.709 1.00 0.00 O ATOM 2095 CB LYS B 87 -7.530 8.750 -1.293 1.00 0.00 C ATOM 2096 CG LYS B 87 -8.507 9.343 -0.274 1.00 0.00 C ATOM 2097 CD LYS B 87 -8.059 9.033 1.152 1.00 0.00 C ATOM 2098 CE LYS B 87 -9.036 9.511 2.207 1.00 0.00 C ATOM 2099 NZ LYS B 87 -8.719 8.927 3.545 1.00 0.00 N ATOM 0 H LYS B 87 -5.454 10.017 -0.596 1.00 0.00 H new ATOM 0 HA LYS B 87 -6.670 7.505 0.211 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -7.195 9.536 -1.971 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -8.048 8.006 -1.898 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -8.573 10.422 -0.413 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -9.505 8.938 -0.442 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -7.921 7.957 1.256 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -7.089 9.497 1.329 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -9.007 10.599 2.267 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -10.050 9.235 1.918 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -9.603 8.716 4.050 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -8.174 8.050 3.421 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -8.159 9.607 4.097 1.00 0.00 H new ATOM 2113 N GLU B 88 -4.498 7.559 -2.147 1.00 0.00 N ATOM 2114 CA GLU B 88 -3.710 6.673 -2.986 1.00 0.00 C ATOM 2115 C GLU B 88 -3.149 5.585 -2.085 1.00 0.00 C ATOM 2116 O GLU B 88 -3.089 4.411 -2.450 1.00 0.00 O ATOM 2117 CB GLU B 88 -2.591 7.443 -3.694 1.00 0.00 C ATOM 2118 CG GLU B 88 -3.037 8.084 -4.998 1.00 0.00 C ATOM 2119 CD GLU B 88 -2.097 9.175 -5.474 1.00 0.00 C ATOM 2120 OE1 GLU B 88 -1.091 8.856 -6.142 1.00 0.00 O ATOM 2121 OE2 GLU B 88 -2.371 10.362 -5.190 1.00 0.00 O ATOM 0 H GLU B 88 -4.135 8.509 -2.068 1.00 0.00 H new ATOM 0 HA GLU B 88 -4.327 6.234 -3.770 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -2.213 8.218 -3.027 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -1.763 6.764 -3.895 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -3.112 7.315 -5.767 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -4.035 8.503 -4.868 1.00 0.00 H new ATOM 2128 N ARG B 89 -2.781 6.001 -0.876 1.00 0.00 N ATOM 2129 CA ARG B 89 -2.269 5.098 0.140 1.00 0.00 C ATOM 2130 C ARG B 89 -3.386 4.169 0.609 1.00 0.00 C ATOM 2131 O ARG B 89 -3.162 2.991 0.870 1.00 0.00 O ATOM 2132 CB ARG B 89 -1.705 5.915 1.317 1.00 0.00 C ATOM 2133 CG ARG B 89 -1.760 5.220 2.674 1.00 0.00 C ATOM 2134 CD ARG B 89 -3.006 5.619 3.459 1.00 0.00 C ATOM 2135 NE ARG B 89 -2.697 5.989 4.839 1.00 0.00 N ATOM 2136 CZ ARG B 89 -3.576 5.949 5.845 1.00 0.00 C ATOM 2137 NH1 ARG B 89 -4.838 5.585 5.639 1.00 0.00 N ATOM 2138 NH2 ARG B 89 -3.190 6.285 7.066 1.00 0.00 N ATOM 0 H ARG B 89 -2.831 6.975 -0.577 1.00 0.00 H new ATOM 0 HA ARG B 89 -1.466 4.490 -0.276 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -0.668 6.169 1.098 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -2.256 6.853 1.384 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -1.750 4.139 2.531 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -0.870 5.474 3.250 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -3.494 6.457 2.961 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -3.715 4.791 3.457 1.00 0.00 H new ATOM 0 HE ARG B 89 -1.748 6.298 5.048 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -5.149 5.331 4.701 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -5.495 5.560 6.419 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -2.226 6.573 7.235 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -3.857 6.256 7.838 1.00 0.00 H new ATOM 2152 N ASP B 90 -4.594 4.718 0.701 1.00 0.00 N ATOM 2153 CA ASP B 90 -5.758 3.955 1.139 1.00 0.00 C ATOM 2154 C ASP B 90 -6.128 2.873 0.136 1.00 0.00 C ATOM 2155 O ASP B 90 -6.496 1.766 0.527 1.00 0.00 O ATOM 2156 CB ASP B 90 -6.958 4.874 1.384 1.00 0.00 C ATOM 2157 CG ASP B 90 -7.018 5.371 2.812 1.00 0.00 C ATOM 2158 OD1 ASP B 90 -6.552 4.636 3.711 1.00 0.00 O ATOM 2159 OD2 ASP B 90 -7.533 6.490 3.039 1.00 0.00 O ATOM 0 H ASP B 90 -4.792 5.693 0.477 1.00 0.00 H new ATOM 0 HA ASP B 90 -5.489 3.471 2.078 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -6.904 5.726 0.707 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -7.877 4.338 1.149 1.00 0.00 H new ATOM 2164 N ALA B 91 -5.998 3.181 -1.149 1.00 0.00 N ATOM 2165 CA ALA B 91 -6.334 2.228 -2.194 1.00 0.00 C ATOM 2166 C ALA B 91 -5.292 1.132 -2.220 1.00 0.00 C ATOM 2167 O ALA B 91 -5.609 -0.047 -2.385 1.00 0.00 O ATOM 2168 CB ALA B 91 -6.427 2.916 -3.545 1.00 0.00 C ATOM 0 H ALA B 91 -5.663 4.082 -1.490 1.00 0.00 H new ATOM 0 HA ALA B 91 -7.310 1.792 -1.981 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -6.679 2.182 -4.310 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -7.200 3.684 -3.510 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -5.469 3.376 -3.786 1.00 0.00 H new ATOM 2174 N VAL B 92 -4.043 1.540 -2.049 1.00 0.00 N ATOM 2175 CA VAL B 92 -2.935 0.612 -2.009 1.00 0.00 C ATOM 2176 C VAL B 92 -3.103 -0.312 -0.813 1.00 0.00 C ATOM 2177 O VAL B 92 -2.961 -1.526 -0.925 1.00 0.00 O ATOM 2178 CB VAL B 92 -1.592 1.369 -1.907 1.00 0.00 C ATOM 2179 CG1 VAL B 92 -0.481 0.458 -1.429 1.00 0.00 C ATOM 2180 CG2 VAL B 92 -1.227 1.986 -3.242 1.00 0.00 C ATOM 0 H VAL B 92 -3.776 2.518 -1.935 1.00 0.00 H new ATOM 0 HA VAL B 92 -2.927 0.027 -2.929 1.00 0.00 H new ATOM 0 HB VAL B 92 -1.715 2.165 -1.173 1.00 0.00 H new ATOM 0 HG11 VAL B 92 0.450 1.021 -1.368 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -0.732 0.064 -0.444 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -0.361 -0.368 -2.130 1.00 0.00 H new ATOM 0 HG21 VAL B 92 -0.278 2.515 -3.151 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -1.134 1.201 -3.992 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -2.006 2.686 -3.544 1.00 0.00 H new ATOM 2190 N LYS B 93 -3.442 0.294 0.319 1.00 0.00 N ATOM 2191 CA LYS B 93 -3.665 -0.418 1.568 1.00 0.00 C ATOM 2192 C LYS B 93 -4.663 -1.552 1.381 1.00 0.00 C ATOM 2193 O LYS B 93 -4.367 -2.718 1.654 1.00 0.00 O ATOM 2194 CB LYS B 93 -4.200 0.565 2.614 1.00 0.00 C ATOM 2195 CG LYS B 93 -4.479 -0.055 3.971 1.00 0.00 C ATOM 2196 CD LYS B 93 -5.950 -0.415 4.152 1.00 0.00 C ATOM 2197 CE LYS B 93 -6.780 0.784 4.586 1.00 0.00 C ATOM 2198 NZ LYS B 93 -7.265 1.583 3.426 1.00 0.00 N ATOM 0 H LYS B 93 -3.571 1.303 0.394 1.00 0.00 H new ATOM 0 HA LYS B 93 -2.719 -0.847 1.900 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -3.479 1.373 2.738 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -5.119 1.014 2.237 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -3.871 -0.952 4.090 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -4.179 0.641 4.754 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -6.345 -0.810 3.216 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -6.041 -1.207 4.895 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -7.634 0.440 5.170 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -6.182 1.420 5.239 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -8.087 2.151 3.715 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -6.506 2.214 3.097 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -7.541 0.943 2.655 1.00 0.00 H new ATOM 2212 N ASP B 94 -5.844 -1.181 0.918 1.00 0.00 N ATOM 2213 CA ASP B 94 -6.927 -2.130 0.690 1.00 0.00 C ATOM 2214 C ASP B 94 -6.516 -3.215 -0.291 1.00 0.00 C ATOM 2215 O ASP B 94 -6.578 -4.400 0.032 1.00 0.00 O ATOM 2216 CB ASP B 94 -8.166 -1.398 0.174 1.00 0.00 C ATOM 2217 CG ASP B 94 -9.079 -0.942 1.293 1.00 0.00 C ATOM 2218 OD1 ASP B 94 -8.747 0.065 1.962 1.00 0.00 O ATOM 2219 OD2 ASP B 94 -10.124 -1.584 1.505 1.00 0.00 O ATOM 0 H ASP B 94 -6.082 -0.216 0.689 1.00 0.00 H new ATOM 0 HA ASP B 94 -7.160 -2.608 1.641 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -7.855 -0.533 -0.412 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -8.719 -2.055 -0.497 1.00 0.00 H new ATOM 2224 N LEU B 95 -6.072 -2.807 -1.477 1.00 0.00 N ATOM 2225 CA LEU B 95 -5.657 -3.754 -2.507 1.00 0.00 C ATOM 2226 C LEU B 95 -4.589 -4.701 -1.975 1.00 0.00 C ATOM 2227 O LEU B 95 -4.659 -5.914 -2.184 1.00 0.00 O ATOM 2228 CB LEU B 95 -5.140 -3.015 -3.744 1.00 0.00 C ATOM 2229 CG LEU B 95 -5.005 -3.878 -5.003 1.00 0.00 C ATOM 2230 CD1 LEU B 95 -6.346 -4.488 -5.381 1.00 0.00 C ATOM 2231 CD2 LEU B 95 -4.452 -3.056 -6.156 1.00 0.00 C ATOM 0 H LEU B 95 -5.991 -1.827 -1.748 1.00 0.00 H new ATOM 0 HA LEU B 95 -6.529 -4.343 -2.792 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -5.813 -2.185 -3.961 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -4.166 -2.584 -3.511 1.00 0.00 H new ATOM 0 HG LEU B 95 -4.307 -4.688 -4.789 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -6.229 -5.097 -6.277 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -6.706 -5.112 -4.563 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -7.066 -3.693 -5.574 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -4.363 -3.685 -7.042 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -5.126 -2.226 -6.367 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -3.470 -2.667 -5.887 1.00 0.00 H new ATOM 2243 N LEU B 96 -3.621 -4.148 -1.260 1.00 0.00 N ATOM 2244 CA LEU B 96 -2.546 -4.945 -0.697 1.00 0.00 C ATOM 2245 C LEU B 96 -3.063 -5.945 0.323 1.00 0.00 C ATOM 2246 O LEU B 96 -2.778 -7.131 0.213 1.00 0.00 O ATOM 2247 CB LEU B 96 -1.485 -4.060 -0.050 1.00 0.00 C ATOM 2248 CG LEU B 96 -0.351 -3.626 -0.973 1.00 0.00 C ATOM 2249 CD1 LEU B 96 0.565 -2.646 -0.265 1.00 0.00 C ATOM 2250 CD2 LEU B 96 0.435 -4.836 -1.440 1.00 0.00 C ATOM 0 H LEU B 96 -3.559 -3.150 -1.057 1.00 0.00 H new ATOM 0 HA LEU B 96 -2.096 -5.495 -1.524 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -1.971 -3.168 0.346 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -1.057 -4.594 0.799 1.00 0.00 H new ATOM 0 HG LEU B 96 -0.782 -3.129 -1.842 1.00 0.00 H new ATOM 0 HD11 LEU B 96 1.368 -2.347 -0.938 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -0.005 -1.766 0.033 1.00 0.00 H new ATOM 0 HD13 LEU B 96 0.991 -3.120 0.620 1.00 0.00 H new ATOM 0 HD21 LEU B 96 1.242 -4.514 -2.098 1.00 0.00 H new ATOM 0 HD22 LEU B 96 0.855 -5.352 -0.577 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -0.226 -5.513 -1.981 1.00 0.00 H new ATOM 2262 N GLN B 97 -3.850 -5.488 1.298 1.00 0.00 N ATOM 2263 CA GLN B 97 -4.344 -6.397 2.327 1.00 0.00 C ATOM 2264 C GLN B 97 -5.331 -7.405 1.759 1.00 0.00 C ATOM 2265 O GLN B 97 -5.518 -8.468 2.332 1.00 0.00 O ATOM 2266 CB GLN B 97 -4.925 -5.658 3.545 1.00 0.00 C ATOM 2267 CG GLN B 97 -6.291 -5.024 3.363 1.00 0.00 C ATOM 2268 CD GLN B 97 -6.840 -4.463 4.674 1.00 0.00 C ATOM 2269 OE1 GLN B 97 -6.425 -5.040 5.809 1.00 0.00 O flip ATOM 2270 NE2 GLN B 97 -7.611 -3.510 4.673 1.00 0.00 N flip ATOM 0 H GLN B 97 -4.152 -4.519 1.395 1.00 0.00 H new ATOM 0 HA GLN B 97 -3.478 -6.951 2.688 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -4.983 -6.362 4.375 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -4.223 -4.877 3.838 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -6.224 -4.224 2.626 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -6.985 -5.765 2.967 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -7.907 -3.094 3.790 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -7.957 -3.133 5.555 1.00 0.00 H new ATOM 2279 N GLN B 98 -5.940 -7.085 0.627 1.00 0.00 N ATOM 2280 CA GLN B 98 -6.878 -8.000 -0.010 1.00 0.00 C ATOM 2281 C GLN B 98 -6.130 -9.136 -0.703 1.00 0.00 C ATOM 2282 O GLN B 98 -6.556 -10.291 -0.668 1.00 0.00 O ATOM 2283 CB GLN B 98 -7.749 -7.259 -1.026 1.00 0.00 C ATOM 2284 CG GLN B 98 -8.898 -6.491 -0.395 1.00 0.00 C ATOM 2285 CD GLN B 98 -9.447 -5.403 -1.299 1.00 0.00 C ATOM 2286 OE1 GLN B 98 -9.426 -5.526 -2.523 1.00 0.00 O ATOM 2287 NE2 GLN B 98 -9.939 -4.328 -0.701 1.00 0.00 N ATOM 0 H GLN B 98 -5.803 -6.204 0.132 1.00 0.00 H new ATOM 0 HA GLN B 98 -7.520 -8.419 0.765 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -7.125 -6.565 -1.590 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -8.152 -7.978 -1.740 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -9.699 -7.186 -0.144 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -8.560 -6.044 0.540 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -9.938 -4.265 0.317 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -10.319 -3.563 -1.259 1.00 0.00 H new ATOM 2296 N LEU B 99 -5.008 -8.805 -1.328 1.00 0.00 N ATOM 2297 CA LEU B 99 -4.209 -9.794 -2.044 1.00 0.00 C ATOM 2298 C LEU B 99 -3.196 -10.481 -1.129 1.00 0.00 C ATOM 2299 O LEU B 99 -2.735 -11.582 -1.420 1.00 0.00 O ATOM 2300 CB LEU B 99 -3.485 -9.128 -3.209 1.00 0.00 C ATOM 2301 CG LEU B 99 -4.411 -8.480 -4.230 1.00 0.00 C ATOM 2302 CD1 LEU B 99 -3.678 -7.399 -5.011 1.00 0.00 C ATOM 2303 CD2 LEU B 99 -4.984 -9.529 -5.168 1.00 0.00 C ATOM 0 H LEU B 99 -4.629 -7.858 -1.354 1.00 0.00 H new ATOM 0 HA LEU B 99 -4.888 -10.560 -2.419 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -2.808 -8.369 -2.816 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -2.870 -9.873 -3.714 1.00 0.00 H new ATOM 0 HG LEU B 99 -5.237 -8.010 -3.696 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -4.357 -6.949 -5.735 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -3.321 -6.632 -4.323 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -2.830 -7.840 -5.535 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -5.643 -9.049 -5.891 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -4.171 -10.029 -5.694 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -5.549 -10.262 -4.592 1.00 0.00 H new ATOM 2315 N LEU B 100 -2.872 -9.823 -0.024 1.00 0.00 N ATOM 2316 CA LEU B 100 -1.896 -10.328 0.945 1.00 0.00 C ATOM 2317 C LEU B 100 -2.101 -11.788 1.356 1.00 0.00 C ATOM 2318 O LEU B 100 -1.242 -12.623 1.083 1.00 0.00 O ATOM 2319 CB LEU B 100 -1.856 -9.433 2.187 1.00 0.00 C ATOM 2320 CG LEU B 100 -0.838 -8.310 2.109 1.00 0.00 C ATOM 2321 CD1 LEU B 100 -0.838 -7.474 3.377 1.00 0.00 C ATOM 2322 CD2 LEU B 100 0.524 -8.908 1.861 1.00 0.00 C ATOM 0 H LEU B 100 -3.277 -8.922 0.230 1.00 0.00 H new ATOM 0 HA LEU B 100 -0.937 -10.297 0.427 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -2.845 -9.002 2.343 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -1.635 -10.049 3.059 1.00 0.00 H new ATOM 0 HG LEU B 100 -1.102 -7.643 1.288 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -0.098 -6.679 3.288 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -1.825 -7.036 3.524 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -0.591 -8.106 4.230 1.00 0.00 H new ATOM 0 HD21 LEU B 100 1.266 -8.112 1.803 1.00 0.00 H new ATOM 0 HD22 LEU B 100 0.779 -9.583 2.678 1.00 0.00 H new ATOM 0 HD23 LEU B 100 0.513 -9.463 0.923 1.00 0.00 H new ATOM 2334 N PRO B 101 -3.237 -12.139 1.981 1.00 0.00 N ATOM 2335 CA PRO B 101 -3.468 -13.509 2.446 1.00 0.00 C ATOM 2336 C PRO B 101 -3.663 -14.511 1.308 1.00 0.00 C ATOM 2337 O PRO B 101 -3.740 -15.715 1.542 1.00 0.00 O ATOM 2338 CB PRO B 101 -4.727 -13.387 3.301 1.00 0.00 C ATOM 2339 CG PRO B 101 -5.442 -12.190 2.781 1.00 0.00 C ATOM 2340 CD PRO B 101 -4.387 -11.260 2.264 1.00 0.00 C ATOM 0 HA PRO B 101 -2.607 -13.899 2.990 1.00 0.00 H new ATOM 0 HB2 PRO B 101 -5.346 -14.281 3.219 1.00 0.00 H new ATOM 0 HB3 PRO B 101 -4.476 -13.268 4.355 1.00 0.00 H new ATOM 0 HG2 PRO B 101 -6.138 -12.467 1.989 1.00 0.00 H new ATOM 0 HG3 PRO B 101 -6.027 -11.715 3.568 1.00 0.00 H new ATOM 0 HD2 PRO B 101 -4.720 -10.739 1.366 1.00 0.00 H new ATOM 0 HD3 PRO B 101 -4.133 -10.497 3.000 1.00 0.00 H new ATOM 2348 N LYS B 102 -3.744 -14.010 0.081 1.00 0.00 N ATOM 2349 CA LYS B 102 -3.921 -14.870 -1.084 1.00 0.00 C ATOM 2350 C LYS B 102 -2.576 -15.410 -1.568 1.00 0.00 C ATOM 2351 O LYS B 102 -2.509 -16.466 -2.191 1.00 0.00 O ATOM 2352 CB LYS B 102 -4.601 -14.103 -2.220 1.00 0.00 C ATOM 2353 CG LYS B 102 -6.037 -13.704 -1.927 1.00 0.00 C ATOM 2354 CD LYS B 102 -6.598 -12.825 -3.035 1.00 0.00 C ATOM 2355 CE LYS B 102 -8.093 -12.599 -2.874 1.00 0.00 C ATOM 2356 NZ LYS B 102 -8.431 -11.979 -1.566 1.00 0.00 N ATOM 0 H LYS B 102 -3.690 -13.014 -0.133 1.00 0.00 H new ATOM 0 HA LYS B 102 -4.553 -15.707 -0.788 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -4.022 -13.205 -2.435 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -4.582 -14.717 -3.120 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -6.652 -14.598 -1.821 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -6.083 -13.171 -0.977 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -6.083 -11.864 -3.033 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -6.403 -13.289 -4.002 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -8.451 -11.959 -3.680 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -8.615 -13.551 -2.968 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -9.385 -11.568 -1.613 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -8.402 -12.704 -0.821 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -7.742 -11.231 -1.348 1.00 0.00 H new ATOM 2370 N PHE B 103 -1.511 -14.669 -1.286 1.00 0.00 N ATOM 2371 CA PHE B 103 -0.170 -15.068 -1.701 1.00 0.00 C ATOM 2372 C PHE B 103 0.705 -15.403 -0.502 1.00 0.00 C ATOM 2373 O PHE B 103 1.679 -16.140 -0.630 1.00 0.00 O ATOM 2374 CB PHE B 103 0.473 -13.954 -2.528 1.00 0.00 C ATOM 2375 CG PHE B 103 -0.203 -13.732 -3.851 1.00 0.00 C ATOM 2376 CD1 PHE B 103 0.127 -14.510 -4.948 1.00 0.00 C ATOM 2377 CD2 PHE B 103 -1.172 -12.753 -3.994 1.00 0.00 C ATOM 2378 CE1 PHE B 103 -0.498 -14.317 -6.164 1.00 0.00 C ATOM 2379 CE2 PHE B 103 -1.800 -12.554 -5.208 1.00 0.00 C ATOM 2380 CZ PHE B 103 -1.463 -13.338 -6.294 1.00 0.00 C ATOM 0 H PHE B 103 -1.549 -13.789 -0.772 1.00 0.00 H new ATOM 0 HA PHE B 103 -0.258 -15.966 -2.312 1.00 0.00 H new ATOM 0 HB2 PHE B 103 0.450 -13.027 -1.956 1.00 0.00 H new ATOM 0 HB3 PHE B 103 1.522 -14.197 -2.700 1.00 0.00 H new ATOM 0 HD1 PHE B 103 0.882 -15.276 -4.851 1.00 0.00 H new ATOM 0 HD2 PHE B 103 -1.440 -12.138 -3.147 1.00 0.00 H new ATOM 0 HE1 PHE B 103 -0.233 -14.931 -7.012 1.00 0.00 H new ATOM 0 HE2 PHE B 103 -2.553 -11.787 -5.308 1.00 0.00 H new ATOM 0 HZ PHE B 103 -1.954 -13.185 -7.244 1.00 0.00 H new