USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 782 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: A 91 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 96 THR OG1 : rot 180:sc= -0.0241 USER MOD Set 2.1: A 35 TYR OH : rot 93:sc= -9.1! USER MOD Set 2.2: A 39 THR OG1 : rot -7:sc= 1.09 USER MOD Set 2.3: A 60 THR OG1 : rot -160:sc= -0.645 USER MOD Set 2.4: A 69 THR OG1 : rot 125:sc= -0.953! USER MOD Set 3.1: A 33 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 68 SER OG : rot 180:sc= -1.85! USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.121 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -5.65! C(o=-5.6!,f=-14!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= -1.03 X(o=-1,f=-0.91) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.0109 X(o=-0.011,f=0) USER MOD Single : A 36 THR OG1 : rot -70:sc= -0.293 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot -48:sc= -0.557! USER MOD Single : A 49 GLN : amide:sc= -8.52! C(o=-8.5!,f=-9.9!) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -175:sc= -5.58! USER MOD Single : A 57 THR OG1 : rot 180:sc= -3.3! USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 39:sc= -2.18! USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 GLN : amide:sc= -0.272 K(o=-0.27,f=-2.5!) USER MOD Single : A 71 SER OG : rot -129:sc= -0.989! USER MOD Single : A 74 THR OG1 : rot 180:sc=-0.00152 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -5.35! C(o=-5.3!,f=-5.2!) USER MOD Single : A 78 LYS NZ :NH3+ 165:sc=-0.00216 (180deg=-0.0659) USER MOD Single : A 79 HIS :FLIP no HD1:sc= -6.17! C(o=-7.9!,f=-6.2!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= -2.46 USER MOD Single : A 86 TYR OH : rot 118:sc= 1.31! USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.581 USER MOD Single : A 89 GLN :FLIP amide:sc= 0.76 F(o=-0.7,f=0.76) USER MOD Single : A 92 TYR OH : rot 58:sc= -3.02! USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 95 HIS : no HE2:sc= -0.0391 K(o=-0.039,f=-0.74) USER MOD Single : A 100 SER OG : rot -95:sc= -0.353 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.268! USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 141:sc= -0.069 (180deg=-1.37) USER MOD Single : A 104 SER OG : rot -55:sc= -1.03 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 0.163 28.925 -4.289 1.00 0.00 N ATOM 2 CA SER A 1 1.535 28.702 -4.712 1.00 0.00 C ATOM 3 C SER A 1 1.763 27.214 -4.989 1.00 0.00 C ATOM 4 O SER A 1 1.582 26.755 -6.115 1.00 0.00 O ATOM 5 CB SER A 1 2.526 29.203 -3.658 1.00 0.00 C ATOM 6 OG SER A 1 2.606 30.626 -3.636 1.00 0.00 O ATOM 0 H1 SER A 1 0.017 29.938 -4.103 1.00 0.00 H new ATOM 0 H2 SER A 1 -0.487 28.614 -5.039 1.00 0.00 H new ATOM 0 H3 SER A 1 -0.025 28.383 -3.421 1.00 0.00 H new ATOM 0 HA SER A 1 1.705 29.266 -5.629 1.00 0.00 H new ATOM 0 HB2 SER A 1 2.224 28.841 -2.675 1.00 0.00 H new ATOM 0 HB3 SER A 1 3.513 28.787 -3.861 1.00 0.00 H new ATOM 0 HG SER A 1 3.247 30.907 -2.950 1.00 0.00 H new ATOM 13 N ARG A 2 2.155 26.503 -3.941 1.00 0.00 N ATOM 14 CA ARG A 2 2.410 25.077 -4.057 1.00 0.00 C ATOM 15 C ARG A 2 2.897 24.515 -2.720 1.00 0.00 C ATOM 16 O ARG A 2 3.665 25.164 -2.013 1.00 0.00 O ATOM 17 CB ARG A 2 3.455 24.789 -5.136 1.00 0.00 C ATOM 18 CG ARG A 2 2.898 23.842 -6.201 1.00 0.00 C ATOM 19 CD ARG A 2 3.738 23.900 -7.477 1.00 0.00 C ATOM 20 NE ARG A 2 4.707 22.781 -7.498 1.00 0.00 N ATOM 21 CZ ARG A 2 4.366 21.488 -7.683 1.00 0.00 C ATOM 22 NH1 ARG A 2 3.075 21.138 -7.863 1.00 0.00 N ATOM 23 NH2 ARG A 2 5.316 20.571 -7.682 1.00 0.00 N ATOM 0 H ARG A 2 2.302 26.888 -3.008 1.00 0.00 H new ATOM 0 HA ARG A 2 1.474 24.595 -4.338 1.00 0.00 H new ATOM 0 HB2 ARG A 2 3.768 25.723 -5.603 1.00 0.00 H new ATOM 0 HB3 ARG A 2 4.341 24.348 -4.680 1.00 0.00 H new ATOM 0 HG2 ARG A 2 2.885 22.822 -5.816 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.866 24.110 -6.428 1.00 0.00 H new ATOM 0 HD2 ARG A 2 3.090 23.847 -8.352 1.00 0.00 H new ATOM 0 HD3 ARG A 2 4.268 24.851 -7.530 1.00 0.00 H new ATOM 0 HE ARG A 2 5.694 23.001 -7.364 1.00 0.00 H new ATOM 0 HH11 ARG A 2 2.348 21.853 -7.860 1.00 0.00 H new ATOM 0 HH12 ARG A 2 2.827 20.158 -8.002 1.00 0.00 H new ATOM 0 HH21 ARG A 2 6.289 20.845 -7.543 1.00 0.00 H new ATOM 0 HH22 ARG A 2 5.077 19.589 -7.820 1.00 0.00 H new ATOM 37 N ASP A 3 2.430 23.312 -2.415 1.00 0.00 N ATOM 38 CA ASP A 3 2.809 22.655 -1.176 1.00 0.00 C ATOM 39 C ASP A 3 2.659 21.141 -1.341 1.00 0.00 C ATOM 40 O ASP A 3 1.650 20.667 -1.862 1.00 0.00 O ATOM 41 CB ASP A 3 1.908 23.097 -0.020 1.00 0.00 C ATOM 42 CG ASP A 3 2.337 22.599 1.361 1.00 0.00 C ATOM 43 OD1 ASP A 3 3.518 22.685 1.731 1.00 0.00 O ATOM 44 OD2 ASP A 3 1.390 22.099 2.079 1.00 0.00 O ATOM 0 H ASP A 3 1.793 22.776 -3.005 1.00 0.00 H new ATOM 0 HA ASP A 3 3.841 22.925 -0.952 1.00 0.00 H new ATOM 0 HB2 ASP A 3 1.873 24.186 -0.002 1.00 0.00 H new ATOM 0 HB3 ASP A 3 0.894 22.749 -0.216 1.00 0.00 H new ATOM 50 N PHE A 4 3.675 20.424 -0.886 1.00 0.00 N ATOM 51 CA PHE A 4 3.670 18.974 -0.975 1.00 0.00 C ATOM 52 C PHE A 4 3.590 18.517 -2.433 1.00 0.00 C ATOM 53 O PHE A 4 2.882 19.120 -3.239 1.00 0.00 O ATOM 54 CB PHE A 4 2.427 18.487 -0.229 1.00 0.00 C ATOM 55 CG PHE A 4 2.731 17.809 1.108 1.00 0.00 C ATOM 56 CD1 PHE A 4 3.600 18.386 1.981 1.00 0.00 C ATOM 57 CD2 PHE A 4 2.130 16.631 1.425 1.00 0.00 C ATOM 58 CE1 PHE A 4 3.882 17.759 3.222 1.00 0.00 C ATOM 59 CE2 PHE A 4 2.412 16.002 2.669 1.00 0.00 C ATOM 60 CZ PHE A 4 3.282 16.580 3.541 1.00 0.00 C ATOM 0 H PHE A 4 4.509 20.821 -0.454 1.00 0.00 H new ATOM 0 HA PHE A 4 4.586 18.569 -0.546 1.00 0.00 H new ATOM 0 HB2 PHE A 4 1.766 19.335 -0.053 1.00 0.00 H new ATOM 0 HB3 PHE A 4 1.885 17.787 -0.865 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.076 19.322 1.729 1.00 0.00 H new ATOM 0 HD2 PHE A 4 1.439 16.173 0.733 1.00 0.00 H new ATOM 0 HE1 PHE A 4 4.573 18.218 3.914 1.00 0.00 H new ATOM 0 HE2 PHE A 4 1.936 15.066 2.921 1.00 0.00 H new ATOM 0 HZ PHE A 4 3.496 16.103 4.486 1.00 0.00 H new ATOM 70 N THR A 5 4.323 17.454 -2.727 1.00 0.00 N ATOM 71 CA THR A 5 4.344 16.909 -4.074 1.00 0.00 C ATOM 72 C THR A 5 3.185 15.930 -4.271 1.00 0.00 C ATOM 73 O THR A 5 2.514 15.553 -3.308 1.00 0.00 O ATOM 74 CB THR A 5 5.718 16.276 -4.306 1.00 0.00 C ATOM 75 OG1 THR A 5 6.452 16.594 -3.128 1.00 0.00 O ATOM 76 CG2 THR A 5 6.497 16.964 -5.428 1.00 0.00 C ATOM 0 H THR A 5 4.907 16.955 -2.056 1.00 0.00 H new ATOM 0 HA THR A 5 4.199 17.691 -4.819 1.00 0.00 H new ATOM 0 HB THR A 5 5.594 15.220 -4.544 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.355 16.219 -3.194 1.00 0.00 H new ATOM 0 HG21 THR A 5 7.464 16.476 -5.551 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.934 16.893 -6.358 1.00 0.00 H new ATOM 0 HG23 THR A 5 6.649 18.013 -5.175 1.00 0.00 H new ATOM 84 N PRO A 6 2.976 15.537 -5.555 1.00 0.00 N ATOM 85 CA PRO A 6 1.908 14.609 -5.889 1.00 0.00 C ATOM 86 C PRO A 6 2.269 13.183 -5.475 1.00 0.00 C ATOM 87 O PRO A 6 3.191 12.585 -6.031 1.00 0.00 O ATOM 88 CB PRO A 6 1.711 14.762 -7.388 1.00 0.00 C ATOM 89 CG PRO A 6 2.978 15.417 -7.911 1.00 0.00 C ATOM 90 CD PRO A 6 3.748 15.963 -6.718 1.00 0.00 C ATOM 0 HA PRO A 6 0.982 14.823 -5.355 1.00 0.00 H new ATOM 0 HB2 PRO A 6 1.548 13.794 -7.861 1.00 0.00 H new ATOM 0 HB3 PRO A 6 0.836 15.374 -7.606 1.00 0.00 H new ATOM 0 HG2 PRO A 6 3.584 14.694 -8.458 1.00 0.00 H new ATOM 0 HG3 PRO A 6 2.733 16.219 -8.607 1.00 0.00 H new ATOM 0 HD2 PRO A 6 4.763 15.567 -6.687 1.00 0.00 H new ATOM 0 HD3 PRO A 6 3.831 17.049 -6.763 1.00 0.00 H new ATOM 98 N PRO A 7 1.508 12.663 -4.475 1.00 0.00 N ATOM 99 CA PRO A 7 1.739 11.318 -3.980 1.00 0.00 C ATOM 100 C PRO A 7 1.217 10.273 -4.968 1.00 0.00 C ATOM 101 O PRO A 7 0.362 10.569 -5.798 1.00 0.00 O ATOM 102 CB PRO A 7 1.035 11.266 -2.634 1.00 0.00 C ATOM 103 CG PRO A 7 0.048 12.422 -2.637 1.00 0.00 C ATOM 104 CD PRO A 7 0.408 13.341 -3.793 1.00 0.00 C ATOM 0 HA PRO A 7 2.799 11.088 -3.869 1.00 0.00 H new ATOM 0 HB2 PRO A 7 0.522 10.314 -2.498 1.00 0.00 H new ATOM 0 HB3 PRO A 7 1.748 11.363 -1.816 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -0.972 12.053 -2.747 1.00 0.00 H new ATOM 0 HG3 PRO A 7 0.091 12.963 -1.692 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -0.441 13.489 -4.461 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.709 14.326 -3.437 1.00 0.00 H new ATOM 112 N THR A 8 1.757 9.068 -4.847 1.00 0.00 N ATOM 113 CA THR A 8 1.358 7.977 -5.718 1.00 0.00 C ATOM 114 C THR A 8 1.749 6.631 -5.103 1.00 0.00 C ATOM 115 O THR A 8 2.835 6.495 -4.541 1.00 0.00 O ATOM 116 CB THR A 8 1.978 8.220 -7.094 1.00 0.00 C ATOM 117 OG1 THR A 8 1.701 7.023 -7.817 1.00 0.00 O ATOM 118 CG2 THR A 8 3.507 8.279 -7.045 1.00 0.00 C ATOM 0 H THR A 8 2.468 8.824 -4.158 1.00 0.00 H new ATOM 0 HA THR A 8 0.275 7.941 -5.836 1.00 0.00 H new ATOM 0 HB THR A 8 1.591 9.152 -7.506 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.068 7.096 -8.723 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.897 8.453 -8.048 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.819 9.091 -6.388 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.896 7.335 -6.664 1.00 0.00 H new ATOM 126 N VAL A 9 0.843 5.671 -5.231 1.00 0.00 N ATOM 127 CA VAL A 9 1.082 4.342 -4.695 1.00 0.00 C ATOM 128 C VAL A 9 0.652 3.297 -5.726 1.00 0.00 C ATOM 129 O VAL A 9 -0.336 3.487 -6.434 1.00 0.00 O ATOM 130 CB VAL A 9 0.366 4.185 -3.351 1.00 0.00 C ATOM 131 CG1 VAL A 9 -1.136 3.976 -3.550 1.00 0.00 C ATOM 132 CG2 VAL A 9 0.977 3.042 -2.536 1.00 0.00 C ATOM 0 H VAL A 9 -0.056 5.788 -5.698 1.00 0.00 H new ATOM 0 HA VAL A 9 2.144 4.192 -4.503 1.00 0.00 H new ATOM 0 HB VAL A 9 0.502 5.108 -2.788 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.620 3.867 -2.579 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.557 4.836 -4.071 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.303 3.076 -4.141 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.451 2.951 -1.586 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.886 2.109 -3.092 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.030 3.251 -2.349 1.00 0.00 H new ATOM 142 N LYS A 10 1.415 2.216 -5.779 1.00 0.00 N ATOM 143 CA LYS A 10 1.126 1.141 -6.712 1.00 0.00 C ATOM 144 C LYS A 10 1.268 -0.204 -5.994 1.00 0.00 C ATOM 145 O LYS A 10 1.828 -0.271 -4.901 1.00 0.00 O ATOM 146 CB LYS A 10 2.002 1.264 -7.962 1.00 0.00 C ATOM 147 CG LYS A 10 1.247 1.966 -9.092 1.00 0.00 C ATOM 148 CD LYS A 10 1.987 3.226 -9.547 1.00 0.00 C ATOM 149 CE LYS A 10 1.724 3.511 -11.026 1.00 0.00 C ATOM 150 NZ LYS A 10 2.979 3.892 -11.712 1.00 0.00 N ATOM 0 H LYS A 10 2.234 2.061 -5.191 1.00 0.00 H new ATOM 0 HA LYS A 10 0.097 1.210 -7.064 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.907 1.822 -7.723 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.316 0.273 -8.290 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.130 1.284 -9.935 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.245 2.230 -8.755 1.00 0.00 H new ATOM 0 HD2 LYS A 10 1.667 4.077 -8.946 1.00 0.00 H new ATOM 0 HD3 LYS A 10 3.057 3.104 -9.381 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.296 2.629 -11.502 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.992 4.312 -11.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.782 4.082 -12.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.372 4.747 -11.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.666 3.115 -11.635 1.00 0.00 H new ATOM 164 N ILE A 11 0.747 -1.239 -6.637 1.00 0.00 N ATOM 165 CA ILE A 11 0.806 -2.576 -6.073 1.00 0.00 C ATOM 166 C ILE A 11 1.206 -3.569 -7.167 1.00 0.00 C ATOM 167 O ILE A 11 0.520 -3.690 -8.180 1.00 0.00 O ATOM 168 CB ILE A 11 -0.511 -2.924 -5.378 1.00 0.00 C ATOM 169 CG1 ILE A 11 -0.272 -3.343 -3.926 1.00 0.00 C ATOM 170 CG2 ILE A 11 -1.280 -3.989 -6.162 1.00 0.00 C ATOM 171 CD1 ILE A 11 0.949 -4.262 -3.814 1.00 0.00 C ATOM 0 H ILE A 11 0.282 -1.178 -7.543 1.00 0.00 H new ATOM 0 HA ILE A 11 1.571 -2.629 -5.298 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.132 -2.028 -5.356 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.123 -2.458 -3.308 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.154 -3.855 -3.542 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.212 -4.218 -5.646 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.501 -3.616 -7.162 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.675 -4.893 -6.237 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.097 -4.545 -2.772 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.787 -5.157 -4.414 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.833 -3.738 -4.176 1.00 0.00 H new ATOM 183 N LEU A 12 2.316 -4.252 -6.924 1.00 0.00 N ATOM 184 CA LEU A 12 2.813 -5.230 -7.878 1.00 0.00 C ATOM 185 C LEU A 12 3.091 -6.546 -7.150 1.00 0.00 C ATOM 186 O LEU A 12 3.662 -6.551 -6.059 1.00 0.00 O ATOM 187 CB LEU A 12 4.024 -4.676 -8.630 1.00 0.00 C ATOM 188 CG LEU A 12 5.391 -4.952 -8.001 1.00 0.00 C ATOM 189 CD1 LEU A 12 5.466 -4.384 -6.583 1.00 0.00 C ATOM 190 CD2 LEU A 12 5.718 -6.446 -8.038 1.00 0.00 C ATOM 0 H LEU A 12 2.884 -4.148 -6.083 1.00 0.00 H new ATOM 0 HA LEU A 12 2.062 -5.438 -8.640 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.020 -5.090 -9.638 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.903 -3.597 -8.728 1.00 0.00 H new ATOM 0 HG LEU A 12 6.150 -4.441 -8.593 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.448 -4.594 -6.158 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.307 -3.306 -6.614 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.697 -4.847 -5.965 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.695 -6.616 -7.585 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.960 -6.998 -7.483 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.733 -6.790 -9.072 1.00 0.00 H new ATOM 202 N GLN A 13 2.678 -7.634 -7.783 1.00 0.00 N ATOM 203 CA GLN A 13 2.876 -8.956 -7.211 1.00 0.00 C ATOM 204 C GLN A 13 4.032 -9.670 -7.914 1.00 0.00 C ATOM 205 O GLN A 13 4.246 -9.483 -9.110 1.00 0.00 O ATOM 206 CB GLN A 13 1.593 -9.784 -7.285 1.00 0.00 C ATOM 207 CG GLN A 13 0.402 -8.914 -7.695 1.00 0.00 C ATOM 208 CD GLN A 13 0.143 -7.816 -6.661 1.00 0.00 C ATOM 209 OE1 GLN A 13 1.013 -7.431 -5.895 1.00 0.00 O ATOM 210 NE2 GLN A 13 -1.098 -7.339 -6.678 1.00 0.00 N ATOM 0 H GLN A 13 2.207 -7.628 -8.687 1.00 0.00 H new ATOM 0 HA GLN A 13 3.133 -8.840 -6.158 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.720 -10.595 -8.003 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.396 -10.244 -6.316 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.594 -8.463 -8.669 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.487 -9.535 -7.801 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.776 -7.706 -7.345 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.372 -6.606 -6.024 1.00 0.00 H new ATOM 219 N SER A 14 4.745 -10.474 -7.138 1.00 0.00 N ATOM 220 CA SER A 14 5.875 -11.217 -7.672 1.00 0.00 C ATOM 221 C SER A 14 5.798 -12.680 -7.224 1.00 0.00 C ATOM 222 O SER A 14 6.526 -13.096 -6.325 1.00 0.00 O ATOM 223 CB SER A 14 7.203 -10.597 -7.231 1.00 0.00 C ATOM 224 OG SER A 14 8.063 -10.339 -8.336 1.00 0.00 O ATOM 0 H SER A 14 4.563 -10.627 -6.146 1.00 0.00 H new ATOM 0 HA SER A 14 5.829 -11.172 -8.760 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.009 -9.667 -6.697 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.702 -11.268 -6.532 1.00 0.00 H new ATOM 0 HG SER A 14 8.899 -9.942 -8.014 1.00 0.00 H new ATOM 230 N SER A 15 4.907 -13.416 -7.871 1.00 0.00 N ATOM 231 CA SER A 15 4.724 -14.822 -7.550 1.00 0.00 C ATOM 232 C SER A 15 4.921 -15.674 -8.805 1.00 0.00 C ATOM 233 O SER A 15 5.545 -16.733 -8.749 1.00 0.00 O ATOM 234 CB SER A 15 3.340 -15.075 -6.947 1.00 0.00 C ATOM 235 OG SER A 15 2.314 -14.395 -7.666 1.00 0.00 O ATOM 0 H SER A 15 4.304 -13.066 -8.616 1.00 0.00 H new ATOM 0 HA SER A 15 5.470 -15.103 -6.807 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.134 -16.145 -6.947 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.332 -14.748 -5.907 1.00 0.00 H new ATOM 0 HG SER A 15 1.446 -14.582 -7.252 1.00 0.00 H new ATOM 241 N SER A 16 4.374 -15.184 -9.907 1.00 0.00 N ATOM 242 CA SER A 16 4.480 -15.887 -11.174 1.00 0.00 C ATOM 243 C SER A 16 3.499 -17.060 -11.205 1.00 0.00 C ATOM 244 O SER A 16 2.951 -17.442 -10.173 1.00 0.00 O ATOM 245 CB SER A 16 5.909 -16.382 -11.410 1.00 0.00 C ATOM 246 OG SER A 16 6.432 -15.928 -12.654 1.00 0.00 O ATOM 0 H SER A 16 3.855 -14.307 -9.949 1.00 0.00 H new ATOM 0 HA SER A 16 4.228 -15.191 -11.974 1.00 0.00 H new ATOM 0 HB2 SER A 16 6.551 -16.037 -10.599 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.924 -17.472 -11.386 1.00 0.00 H new ATOM 0 HG SER A 16 7.346 -16.263 -12.767 1.00 0.00 H new ATOM 252 N ASP A 17 3.309 -17.598 -12.401 1.00 0.00 N ATOM 253 CA ASP A 17 2.403 -18.721 -12.579 1.00 0.00 C ATOM 254 C ASP A 17 2.542 -19.677 -11.395 1.00 0.00 C ATOM 255 O ASP A 17 3.568 -19.684 -10.715 1.00 0.00 O ATOM 256 CB ASP A 17 2.734 -19.497 -13.856 1.00 0.00 C ATOM 257 CG ASP A 17 4.124 -19.227 -14.435 1.00 0.00 C ATOM 258 OD1 ASP A 17 5.107 -19.887 -14.064 1.00 0.00 O ATOM 259 OD2 ASP A 17 4.176 -18.285 -15.314 1.00 0.00 O ATOM 0 H ASP A 17 3.766 -17.278 -13.255 1.00 0.00 H new ATOM 0 HA ASP A 17 1.389 -18.328 -12.648 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.644 -20.563 -13.649 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.988 -19.256 -14.613 1.00 0.00 H new ATOM 265 N GLY A 18 1.497 -20.464 -11.183 1.00 0.00 N ATOM 266 CA GLY A 18 1.490 -21.422 -10.091 1.00 0.00 C ATOM 267 C GLY A 18 0.143 -21.417 -9.365 1.00 0.00 C ATOM 268 O GLY A 18 -0.240 -20.411 -8.767 1.00 0.00 O ATOM 0 H GLY A 18 0.649 -20.457 -11.750 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.695 -22.420 -10.477 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.287 -21.182 -9.387 1.00 0.00 H new ATOM 272 N GLY A 19 -0.537 -22.552 -9.439 1.00 0.00 N ATOM 273 CA GLY A 19 -1.833 -22.689 -8.796 1.00 0.00 C ATOM 274 C GLY A 19 -1.681 -23.203 -7.362 1.00 0.00 C ATOM 275 O GLY A 19 -2.482 -24.015 -6.902 1.00 0.00 O ATOM 0 H GLY A 19 -0.215 -23.384 -9.934 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.343 -21.726 -8.789 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.456 -23.376 -9.368 1.00 0.00 H new ATOM 279 N GLY A 20 -0.648 -22.706 -6.697 1.00 0.00 N ATOM 280 CA GLY A 20 -0.381 -23.105 -5.327 1.00 0.00 C ATOM 281 C GLY A 20 0.718 -24.168 -5.266 1.00 0.00 C ATOM 282 O GLY A 20 1.670 -24.037 -4.500 1.00 0.00 O ATOM 0 H GLY A 20 0.013 -22.031 -7.082 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -0.082 -22.234 -4.743 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.293 -23.494 -4.874 1.00 0.00 H new ATOM 286 N HIS A 21 0.547 -25.195 -6.085 1.00 0.00 N ATOM 287 CA HIS A 21 1.512 -26.280 -6.137 1.00 0.00 C ATOM 288 C HIS A 21 2.647 -25.912 -7.095 1.00 0.00 C ATOM 289 O HIS A 21 2.808 -26.539 -8.142 1.00 0.00 O ATOM 290 CB HIS A 21 0.830 -27.598 -6.503 1.00 0.00 C ATOM 291 CG HIS A 21 0.218 -27.610 -7.884 1.00 0.00 C ATOM 292 ND1 HIS A 21 0.750 -28.337 -8.935 1.00 0.00 N ATOM 293 CD2 HIS A 21 -0.885 -26.976 -8.376 1.00 0.00 C ATOM 294 CE1 HIS A 21 -0.005 -28.143 -10.006 1.00 0.00 C ATOM 295 NE2 HIS A 21 -1.020 -27.298 -9.656 1.00 0.00 N ATOM 0 H HIS A 21 -0.246 -25.299 -6.718 1.00 0.00 H new ATOM 0 HA HIS A 21 1.950 -26.429 -5.150 1.00 0.00 H new ATOM 0 HB2 HIS A 21 1.560 -28.405 -6.433 1.00 0.00 H new ATOM 0 HB3 HIS A 21 0.051 -27.808 -5.770 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -1.538 -26.322 -7.818 1.00 0.00 H new ATOM 0 HE1 HIS A 21 0.154 -28.576 -10.983 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -1.760 -26.969 -10.277 1.00 0.00 H new ATOM 303 N PHE A 22 3.404 -24.898 -6.704 1.00 0.00 N ATOM 304 CA PHE A 22 4.518 -24.439 -7.516 1.00 0.00 C ATOM 305 C PHE A 22 5.274 -23.305 -6.819 1.00 0.00 C ATOM 306 O PHE A 22 6.482 -23.398 -6.609 1.00 0.00 O ATOM 307 CB PHE A 22 3.931 -23.916 -8.828 1.00 0.00 C ATOM 308 CG PHE A 22 4.375 -24.700 -10.064 1.00 0.00 C ATOM 309 CD1 PHE A 22 5.698 -24.904 -10.300 1.00 0.00 C ATOM 310 CD2 PHE A 22 3.447 -25.190 -10.929 1.00 0.00 C ATOM 311 CE1 PHE A 22 6.112 -25.631 -11.449 1.00 0.00 C ATOM 312 CE2 PHE A 22 3.860 -25.916 -12.077 1.00 0.00 C ATOM 313 CZ PHE A 22 5.184 -26.120 -12.313 1.00 0.00 C ATOM 0 H PHE A 22 3.268 -24.381 -5.835 1.00 0.00 H new ATOM 0 HA PHE A 22 5.219 -25.257 -7.683 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.843 -23.944 -8.764 1.00 0.00 H new ATOM 0 HB3 PHE A 22 4.217 -22.871 -8.951 1.00 0.00 H new ATOM 0 HD1 PHE A 22 6.435 -24.513 -9.614 1.00 0.00 H new ATOM 0 HD2 PHE A 22 2.396 -25.027 -10.743 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.163 -25.795 -11.635 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.123 -26.306 -12.763 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.498 -26.671 -13.187 1.00 0.00 H new ATOM 323 N PRO A 23 4.511 -22.235 -6.472 1.00 0.00 N ATOM 324 CA PRO A 23 5.094 -21.084 -5.803 1.00 0.00 C ATOM 325 C PRO A 23 5.389 -21.394 -4.335 1.00 0.00 C ATOM 326 O PRO A 23 4.487 -21.751 -3.579 1.00 0.00 O ATOM 327 CB PRO A 23 4.078 -19.969 -5.984 1.00 0.00 C ATOM 328 CG PRO A 23 2.767 -20.651 -6.336 1.00 0.00 C ATOM 329 CD PRO A 23 3.075 -22.093 -6.706 1.00 0.00 C ATOM 0 HA PRO A 23 6.059 -20.797 -6.222 1.00 0.00 H new ATOM 0 HB2 PRO A 23 3.979 -19.380 -5.072 1.00 0.00 H new ATOM 0 HB3 PRO A 23 4.386 -19.285 -6.774 1.00 0.00 H new ATOM 0 HG2 PRO A 23 2.078 -20.612 -5.492 1.00 0.00 H new ATOM 0 HG3 PRO A 23 2.282 -20.139 -7.167 1.00 0.00 H new ATOM 0 HD2 PRO A 23 2.503 -22.790 -6.094 1.00 0.00 H new ATOM 0 HD3 PRO A 23 2.821 -22.299 -7.746 1.00 0.00 H new ATOM 337 N PRO A 24 6.689 -21.243 -3.966 1.00 0.00 N ATOM 338 CA PRO A 24 7.114 -21.502 -2.602 1.00 0.00 C ATOM 339 C PRO A 24 6.681 -20.370 -1.667 1.00 0.00 C ATOM 340 O PRO A 24 6.204 -20.621 -0.561 1.00 0.00 O ATOM 341 CB PRO A 24 8.624 -21.660 -2.683 1.00 0.00 C ATOM 342 CG PRO A 24 9.038 -21.025 -4.000 1.00 0.00 C ATOM 343 CD PRO A 24 7.784 -20.822 -4.834 1.00 0.00 C ATOM 0 HA PRO A 24 6.655 -22.397 -2.182 1.00 0.00 H new ATOM 0 HB2 PRO A 24 9.114 -21.170 -1.842 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.909 -22.711 -2.649 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.538 -20.072 -3.824 1.00 0.00 H new ATOM 0 HG3 PRO A 24 9.747 -21.664 -4.526 1.00 0.00 H new ATOM 0 HD2 PRO A 24 7.673 -19.780 -5.135 1.00 0.00 H new ATOM 0 HD3 PRO A 24 7.816 -21.416 -5.748 1.00 0.00 H new ATOM 351 N THR A 25 6.862 -19.149 -2.147 1.00 0.00 N ATOM 352 CA THR A 25 6.497 -17.978 -1.369 1.00 0.00 C ATOM 353 C THR A 25 5.793 -16.947 -2.255 1.00 0.00 C ATOM 354 O THR A 25 5.403 -17.253 -3.379 1.00 0.00 O ATOM 355 CB THR A 25 7.762 -17.441 -0.697 1.00 0.00 C ATOM 356 OG1 THR A 25 8.758 -17.530 -1.712 1.00 0.00 O ATOM 357 CG2 THR A 25 8.274 -18.363 0.409 1.00 0.00 C ATOM 0 H THR A 25 7.257 -18.945 -3.065 1.00 0.00 H new ATOM 0 HA THR A 25 5.781 -18.231 -0.587 1.00 0.00 H new ATOM 0 HB THR A 25 7.561 -16.454 -0.281 1.00 0.00 H new ATOM 0 HG1 THR A 25 9.612 -17.200 -1.362 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.173 -17.935 0.852 1.00 0.00 H new ATOM 0 HG22 THR A 25 7.507 -18.472 1.176 1.00 0.00 H new ATOM 0 HG23 THR A 25 8.507 -19.341 -0.012 1.00 0.00 H new ATOM 365 N ILE A 26 5.655 -15.745 -1.714 1.00 0.00 N ATOM 366 CA ILE A 26 5.006 -14.668 -2.441 1.00 0.00 C ATOM 367 C ILE A 26 5.791 -13.370 -2.227 1.00 0.00 C ATOM 368 O ILE A 26 6.182 -13.055 -1.106 1.00 0.00 O ATOM 369 CB ILE A 26 3.532 -14.567 -2.047 1.00 0.00 C ATOM 370 CG1 ILE A 26 2.642 -14.424 -3.284 1.00 0.00 C ATOM 371 CG2 ILE A 26 3.307 -13.432 -1.046 1.00 0.00 C ATOM 372 CD1 ILE A 26 1.328 -13.723 -2.938 1.00 0.00 C ATOM 0 H ILE A 26 5.982 -15.494 -0.781 1.00 0.00 H new ATOM 0 HA ILE A 26 5.012 -14.873 -3.512 1.00 0.00 H new ATOM 0 HB ILE A 26 3.248 -15.495 -1.551 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.169 -13.857 -4.052 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.433 -15.409 -3.702 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.250 -13.383 -0.783 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.896 -13.617 -0.148 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.614 -12.486 -1.493 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.715 -13.635 -3.835 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.792 -14.305 -2.188 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.539 -12.729 -2.544 1.00 0.00 H new ATOM 384 N GLN A 27 5.995 -12.655 -3.322 1.00 0.00 N ATOM 385 CA GLN A 27 6.724 -11.398 -3.270 1.00 0.00 C ATOM 386 C GLN A 27 5.823 -10.241 -3.704 1.00 0.00 C ATOM 387 O GLN A 27 5.850 -9.831 -4.863 1.00 0.00 O ATOM 388 CB GLN A 27 7.989 -11.462 -4.129 1.00 0.00 C ATOM 389 CG GLN A 27 9.237 -11.625 -3.260 1.00 0.00 C ATOM 390 CD GLN A 27 10.453 -11.997 -4.109 1.00 0.00 C ATOM 391 OE1 GLN A 27 10.573 -13.098 -4.620 1.00 0.00 O ATOM 392 NE2 GLN A 27 11.345 -11.017 -4.233 1.00 0.00 N ATOM 0 H GLN A 27 5.669 -12.921 -4.251 1.00 0.00 H new ATOM 0 HA GLN A 27 7.033 -11.223 -2.239 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.917 -12.296 -4.827 1.00 0.00 H new ATOM 0 HB3 GLN A 27 8.074 -10.554 -4.726 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.434 -10.697 -2.723 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.063 -12.396 -2.510 1.00 0.00 H new ATOM 0 HE21 GLN A 27 11.182 -10.119 -3.778 1.00 0.00 H new ATOM 0 HE22 GLN A 27 12.191 -11.164 -4.783 1.00 0.00 H new ATOM 401 N LEU A 28 5.045 -9.748 -2.751 1.00 0.00 N ATOM 402 CA LEU A 28 4.137 -8.646 -3.022 1.00 0.00 C ATOM 403 C LEU A 28 4.773 -7.339 -2.547 1.00 0.00 C ATOM 404 O LEU A 28 4.919 -7.117 -1.346 1.00 0.00 O ATOM 405 CB LEU A 28 2.763 -8.922 -2.407 1.00 0.00 C ATOM 406 CG LEU A 28 2.208 -10.334 -2.609 1.00 0.00 C ATOM 407 CD1 LEU A 28 1.397 -10.783 -1.392 1.00 0.00 C ATOM 408 CD2 LEU A 28 1.400 -10.426 -3.904 1.00 0.00 C ATOM 0 H LEU A 28 5.025 -10.091 -1.791 1.00 0.00 H new ATOM 0 HA LEU A 28 3.967 -8.546 -4.094 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.820 -8.725 -1.336 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.051 -8.210 -2.824 1.00 0.00 H new ATOM 0 HG LEU A 28 3.049 -11.021 -2.706 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.014 -11.789 -1.561 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.036 -10.782 -0.509 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.563 -10.098 -1.238 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.017 -11.440 -4.023 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.566 -9.726 -3.863 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.040 -10.178 -4.751 1.00 0.00 H new ATOM 420 N LEU A 29 5.132 -6.508 -3.512 1.00 0.00 N ATOM 421 CA LEU A 29 5.748 -5.228 -3.208 1.00 0.00 C ATOM 422 C LEU A 29 4.814 -4.099 -3.648 1.00 0.00 C ATOM 423 O LEU A 29 3.995 -4.281 -4.546 1.00 0.00 O ATOM 424 CB LEU A 29 7.147 -5.146 -3.826 1.00 0.00 C ATOM 425 CG LEU A 29 7.455 -6.162 -4.926 1.00 0.00 C ATOM 426 CD1 LEU A 29 8.234 -5.512 -6.072 1.00 0.00 C ATOM 427 CD2 LEU A 29 8.181 -7.382 -4.359 1.00 0.00 C ATOM 0 H LEU A 29 5.008 -6.696 -4.507 1.00 0.00 H new ATOM 0 HA LEU A 29 5.893 -5.121 -2.133 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.284 -4.145 -4.235 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.882 -5.268 -3.030 1.00 0.00 H new ATOM 0 HG LEU A 29 6.510 -6.514 -5.339 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.440 -6.257 -6.841 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.643 -4.702 -6.500 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.175 -5.113 -5.692 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.388 -8.088 -5.163 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.119 -7.067 -3.902 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.554 -7.861 -3.607 1.00 0.00 H new ATOM 439 N CYS A 30 4.968 -2.957 -2.992 1.00 0.00 N ATOM 440 CA CYS A 30 4.149 -1.800 -3.304 1.00 0.00 C ATOM 441 C CYS A 30 5.029 -0.760 -4.001 1.00 0.00 C ATOM 442 O CYS A 30 6.253 -0.797 -3.882 1.00 0.00 O ATOM 443 CB CYS A 30 3.476 -1.230 -2.054 1.00 0.00 C ATOM 444 SG CYS A 30 1.685 -0.902 -2.228 1.00 0.00 S ATOM 0 H CYS A 30 5.648 -2.810 -2.246 1.00 0.00 H new ATOM 0 HA CYS A 30 3.339 -2.095 -3.971 1.00 0.00 H new ATOM 0 HB2 CYS A 30 3.625 -1.927 -1.229 1.00 0.00 H new ATOM 0 HB3 CYS A 30 3.976 -0.301 -1.781 1.00 0.00 H new ATOM 449 N LEU A 31 4.373 0.142 -4.716 1.00 0.00 N ATOM 450 CA LEU A 31 5.080 1.189 -5.434 1.00 0.00 C ATOM 451 C LEU A 31 4.566 2.554 -4.973 1.00 0.00 C ATOM 452 O LEU A 31 3.617 3.088 -5.543 1.00 0.00 O ATOM 453 CB LEU A 31 4.975 0.970 -6.943 1.00 0.00 C ATOM 454 CG LEU A 31 6.164 0.269 -7.605 1.00 0.00 C ATOM 455 CD1 LEU A 31 6.304 -1.167 -7.101 1.00 0.00 C ATOM 456 CD2 LEU A 31 6.059 0.334 -9.129 1.00 0.00 C ATOM 0 H LEU A 31 3.358 0.169 -4.814 1.00 0.00 H new ATOM 0 HA LEU A 31 6.145 1.155 -5.205 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.077 0.386 -7.143 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.838 1.940 -7.422 1.00 0.00 H new ATOM 0 HG LEU A 31 7.074 0.799 -7.322 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.156 -1.642 -7.587 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.459 -1.160 -6.022 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.397 -1.724 -7.334 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.916 -0.171 -9.575 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.141 -0.156 -9.452 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.046 1.376 -9.449 1.00 0.00 H new ATOM 468 N VAL A 32 5.216 3.079 -3.944 1.00 0.00 N ATOM 469 CA VAL A 32 4.837 4.372 -3.400 1.00 0.00 C ATOM 470 C VAL A 32 6.051 5.302 -3.412 1.00 0.00 C ATOM 471 O VAL A 32 7.026 5.062 -2.703 1.00 0.00 O ATOM 472 CB VAL A 32 4.231 4.195 -2.005 1.00 0.00 C ATOM 473 CG1 VAL A 32 5.320 4.202 -0.930 1.00 0.00 C ATOM 474 CG2 VAL A 32 3.177 5.267 -1.726 1.00 0.00 C ATOM 0 H VAL A 32 6.003 2.632 -3.473 1.00 0.00 H new ATOM 0 HA VAL A 32 4.068 4.836 -4.017 1.00 0.00 H new ATOM 0 HB VAL A 32 3.737 3.224 -1.974 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.863 4.075 0.051 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.018 3.385 -1.114 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.855 5.151 -0.961 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.762 5.119 -0.729 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.637 6.253 -1.785 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.379 5.194 -2.465 1.00 0.00 H new ATOM 484 N SER A 33 5.951 6.343 -4.224 1.00 0.00 N ATOM 485 CA SER A 33 7.029 7.310 -4.337 1.00 0.00 C ATOM 486 C SER A 33 6.474 8.666 -4.778 1.00 0.00 C ATOM 487 O SER A 33 5.268 8.810 -4.977 1.00 0.00 O ATOM 488 CB SER A 33 8.100 6.831 -5.320 1.00 0.00 C ATOM 489 OG SER A 33 7.534 6.401 -6.556 1.00 0.00 O ATOM 0 H SER A 33 5.140 6.538 -4.810 1.00 0.00 H new ATOM 0 HA SER A 33 7.495 7.416 -3.357 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.808 7.638 -5.507 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.662 6.011 -4.873 1.00 0.00 H new ATOM 0 HG SER A 33 8.249 6.104 -7.157 1.00 0.00 H new ATOM 495 N GLY A 34 7.378 9.624 -4.917 1.00 0.00 N ATOM 496 CA GLY A 34 6.991 10.961 -5.331 1.00 0.00 C ATOM 497 C GLY A 34 6.471 11.773 -4.144 1.00 0.00 C ATOM 498 O GLY A 34 6.851 12.929 -3.961 1.00 0.00 O ATOM 0 H GLY A 34 8.377 9.501 -4.750 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.846 11.469 -5.777 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.220 10.899 -6.099 1.00 0.00 H new ATOM 502 N TYR A 35 5.606 11.137 -3.367 1.00 0.00 N ATOM 503 CA TYR A 35 5.028 11.785 -2.202 1.00 0.00 C ATOM 504 C TYR A 35 6.098 12.075 -1.149 1.00 0.00 C ATOM 505 O TYR A 35 7.106 11.376 -1.074 1.00 0.00 O ATOM 506 CB TYR A 35 4.016 10.793 -1.625 1.00 0.00 C ATOM 507 CG TYR A 35 4.648 9.522 -1.052 1.00 0.00 C ATOM 508 CD1 TYR A 35 5.385 9.586 0.113 1.00 0.00 C ATOM 509 CD2 TYR A 35 4.481 8.316 -1.701 1.00 0.00 C ATOM 510 CE1 TYR A 35 5.979 8.390 0.654 1.00 0.00 C ATOM 511 CE2 TYR A 35 5.079 7.121 -1.160 1.00 0.00 C ATOM 512 CZ TYR A 35 5.797 7.216 -0.009 1.00 0.00 C ATOM 513 OH TYR A 35 6.359 6.090 0.501 1.00 0.00 O ATOM 0 H TYR A 35 5.291 10.179 -3.522 1.00 0.00 H new ATOM 0 HA TYR A 35 4.570 12.735 -2.479 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.444 11.288 -0.840 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.309 10.515 -2.407 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.516 10.531 0.619 1.00 0.00 H new ATOM 0 HD2 TYR A 35 3.904 8.267 -2.612 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.556 8.425 1.566 1.00 0.00 H new ATOM 0 HE2 TYR A 35 4.959 6.170 -1.658 1.00 0.00 H new ATOM 0 HH TYR A 35 5.712 5.634 1.079 1.00 0.00 H new ATOM 523 N THR A 36 5.842 13.110 -0.359 1.00 0.00 N ATOM 524 CA THR A 36 6.771 13.500 0.687 1.00 0.00 C ATOM 525 C THR A 36 8.198 13.553 0.139 1.00 0.00 C ATOM 526 O THR A 36 8.609 12.681 -0.624 1.00 0.00 O ATOM 527 CB THR A 36 6.604 12.526 1.855 1.00 0.00 C ATOM 528 OG1 THR A 36 5.195 12.361 1.971 1.00 0.00 O ATOM 529 CG2 THR A 36 7.019 13.140 3.194 1.00 0.00 C ATOM 0 H THR A 36 5.005 13.689 -0.424 1.00 0.00 H new ATOM 0 HA THR A 36 6.558 14.505 1.051 1.00 0.00 H new ATOM 0 HB THR A 36 7.196 11.630 1.667 1.00 0.00 H new ATOM 0 HG1 THR A 36 4.795 13.189 2.310 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.881 12.407 3.989 1.00 0.00 H new ATOM 0 HG22 THR A 36 8.068 13.434 3.150 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.405 14.017 3.398 1.00 0.00 H new ATOM 537 N PRO A 37 8.936 14.616 0.563 1.00 0.00 N ATOM 538 CA PRO A 37 10.310 14.796 0.123 1.00 0.00 C ATOM 539 C PRO A 37 11.246 13.818 0.834 1.00 0.00 C ATOM 540 O PRO A 37 12.397 13.652 0.434 1.00 0.00 O ATOM 541 CB PRO A 37 10.630 16.251 0.422 1.00 0.00 C ATOM 542 CG PRO A 37 9.594 16.708 1.434 1.00 0.00 C ATOM 543 CD PRO A 37 8.483 15.669 1.466 1.00 0.00 C ATOM 0 HA PRO A 37 10.444 14.583 -0.937 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.639 16.354 0.822 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.583 16.855 -0.484 1.00 0.00 H new ATOM 0 HG2 PRO A 37 10.045 16.815 2.420 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.196 17.684 1.158 1.00 0.00 H new ATOM 0 HD2 PRO A 37 8.328 15.286 2.475 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.535 16.093 1.136 1.00 0.00 H new ATOM 551 N GLY A 38 10.716 13.197 1.880 1.00 0.00 N ATOM 552 CA GLY A 38 11.491 12.239 2.651 1.00 0.00 C ATOM 553 C GLY A 38 10.773 10.891 2.733 1.00 0.00 C ATOM 554 O GLY A 38 11.252 9.968 3.387 1.00 0.00 O ATOM 0 H GLY A 38 9.761 13.339 2.210 1.00 0.00 H new ATOM 0 HA2 GLY A 38 12.471 12.106 2.192 1.00 0.00 H new ATOM 0 HA3 GLY A 38 11.659 12.627 3.656 1.00 0.00 H new ATOM 558 N THR A 39 9.635 10.822 2.058 1.00 0.00 N ATOM 559 CA THR A 39 8.846 9.602 2.045 1.00 0.00 C ATOM 560 C THR A 39 7.783 9.642 3.145 1.00 0.00 C ATOM 561 O THR A 39 7.524 10.695 3.726 1.00 0.00 O ATOM 562 CB THR A 39 9.806 8.418 2.169 1.00 0.00 C ATOM 563 OG1 THR A 39 9.169 7.377 1.433 1.00 0.00 O ATOM 564 CG2 THR A 39 9.880 7.872 3.597 1.00 0.00 C ATOM 0 H THR A 39 9.241 11.591 1.516 1.00 0.00 H new ATOM 0 HA THR A 39 8.296 9.496 1.110 1.00 0.00 H new ATOM 0 HB THR A 39 10.801 8.721 1.844 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.272 7.667 1.166 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.575 7.033 3.630 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.227 8.657 4.269 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.891 7.537 3.910 1.00 0.00 H new ATOM 572 N ILE A 40 7.197 8.481 3.399 1.00 0.00 N ATOM 573 CA ILE A 40 6.169 8.371 4.421 1.00 0.00 C ATOM 574 C ILE A 40 6.451 7.145 5.293 1.00 0.00 C ATOM 575 O ILE A 40 7.606 6.855 5.603 1.00 0.00 O ATOM 576 CB ILE A 40 4.779 8.362 3.783 1.00 0.00 C ATOM 577 CG1 ILE A 40 4.624 7.185 2.818 1.00 0.00 C ATOM 578 CG2 ILE A 40 4.479 9.701 3.104 1.00 0.00 C ATOM 579 CD1 ILE A 40 3.615 7.508 1.715 1.00 0.00 C ATOM 0 H ILE A 40 7.414 7.609 2.916 1.00 0.00 H new ATOM 0 HA ILE A 40 6.190 9.242 5.076 1.00 0.00 H new ATOM 0 HB ILE A 40 4.042 8.228 4.575 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.590 6.946 2.373 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.298 6.301 3.366 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.485 9.668 2.658 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.519 10.501 3.843 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.219 9.888 2.326 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.524 6.654 1.043 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.644 7.723 2.162 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.956 8.377 1.153 1.00 0.00 H new ATOM 591 N ASN A 41 5.381 6.460 5.660 1.00 0.00 N ATOM 592 CA ASN A 41 5.498 5.274 6.489 1.00 0.00 C ATOM 593 C ASN A 41 5.196 4.034 5.645 1.00 0.00 C ATOM 594 O ASN A 41 4.494 4.121 4.637 1.00 0.00 O ATOM 595 CB ASN A 41 4.502 5.309 7.651 1.00 0.00 C ATOM 596 CG ASN A 41 5.161 5.841 8.924 1.00 0.00 C ATOM 597 OD1 ASN A 41 5.199 7.033 9.183 1.00 0.00 O ATOM 598 ND2 ASN A 41 5.676 4.895 9.701 1.00 0.00 N ATOM 0 H ASN A 41 4.426 6.704 5.398 1.00 0.00 H new ATOM 0 HA ASN A 41 6.513 5.242 6.886 1.00 0.00 H new ATOM 0 HB2 ASN A 41 3.652 5.939 7.387 1.00 0.00 H new ATOM 0 HB3 ASN A 41 4.113 4.307 7.831 1.00 0.00 H new ATOM 0 HD21 ASN A 41 6.138 5.148 10.574 1.00 0.00 H new ATOM 0 HD22 ASN A 41 5.609 3.915 9.424 1.00 0.00 H new ATOM 605 N ILE A 42 5.736 2.909 6.088 1.00 0.00 N ATOM 606 CA ILE A 42 5.534 1.653 5.385 1.00 0.00 C ATOM 607 C ILE A 42 4.848 0.656 6.320 1.00 0.00 C ATOM 608 O ILE A 42 5.284 0.460 7.454 1.00 0.00 O ATOM 609 CB ILE A 42 6.856 1.144 4.806 1.00 0.00 C ATOM 610 CG1 ILE A 42 7.596 2.260 4.066 1.00 0.00 C ATOM 611 CG2 ILE A 42 6.628 -0.080 3.918 1.00 0.00 C ATOM 612 CD1 ILE A 42 9.112 2.070 4.166 1.00 0.00 C ATOM 0 H ILE A 42 6.314 2.840 6.926 1.00 0.00 H new ATOM 0 HA ILE A 42 4.873 1.797 4.530 1.00 0.00 H new ATOM 0 HB ILE A 42 7.493 0.829 5.632 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.295 2.269 3.018 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.318 3.227 4.486 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.583 -0.423 3.519 1.00 0.00 H new ATOM 0 HG22 ILE A 42 6.174 -0.877 4.507 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.965 0.186 3.095 1.00 0.00 H new ATOM 0 HD11 ILE A 42 9.616 2.876 3.632 1.00 0.00 H new ATOM 0 HD12 ILE A 42 9.412 2.086 5.214 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.389 1.113 3.723 1.00 0.00 H new ATOM 624 N THR A 43 3.785 0.050 5.811 1.00 0.00 N ATOM 625 CA THR A 43 3.034 -0.922 6.585 1.00 0.00 C ATOM 626 C THR A 43 2.219 -1.830 5.660 1.00 0.00 C ATOM 627 O THR A 43 1.988 -1.490 4.501 1.00 0.00 O ATOM 628 CB THR A 43 2.177 -0.160 7.596 1.00 0.00 C ATOM 629 OG1 THR A 43 3.035 0.876 8.071 1.00 0.00 O ATOM 630 CG2 THR A 43 1.869 -0.988 8.846 1.00 0.00 C ATOM 0 H THR A 43 3.426 0.214 4.870 1.00 0.00 H new ATOM 0 HA THR A 43 3.700 -1.587 7.135 1.00 0.00 H new ATOM 0 HB THR A 43 1.244 0.144 7.122 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.906 0.496 8.310 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.258 -0.400 9.531 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.328 -1.890 8.561 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.801 -1.265 9.338 1.00 0.00 H new ATOM 638 N TRP A 44 1.807 -2.964 6.207 1.00 0.00 N ATOM 639 CA TRP A 44 1.025 -3.920 5.445 1.00 0.00 C ATOM 640 C TRP A 44 -0.050 -4.495 6.369 1.00 0.00 C ATOM 641 O TRP A 44 0.251 -4.941 7.474 1.00 0.00 O ATOM 642 CB TRP A 44 1.922 -4.997 4.829 1.00 0.00 C ATOM 643 CG TRP A 44 3.005 -4.446 3.900 1.00 0.00 C ATOM 644 CD1 TRP A 44 4.012 -3.615 4.205 1.00 0.00 C ATOM 645 CD2 TRP A 44 3.153 -4.726 2.491 1.00 0.00 C ATOM 646 NE1 TRP A 44 4.792 -3.338 3.102 1.00 0.00 N ATOM 647 CE2 TRP A 44 4.253 -4.035 2.026 1.00 0.00 C ATOM 648 CE3 TRP A 44 2.381 -5.533 1.638 1.00 0.00 C ATOM 649 CZ2 TRP A 44 4.682 -4.082 0.693 1.00 0.00 C ATOM 650 CZ3 TRP A 44 2.821 -5.571 0.311 1.00 0.00 C ATOM 651 CH2 TRP A 44 3.928 -4.882 -0.174 1.00 0.00 C ATOM 0 H TRP A 44 2.001 -3.242 7.169 1.00 0.00 H new ATOM 0 HA TRP A 44 0.536 -3.432 4.602 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.398 -5.562 5.631 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.301 -5.698 4.271 1.00 0.00 H new ATOM 0 HD1 TRP A 44 4.190 -3.213 5.191 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.613 -2.733 3.079 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.516 -6.081 1.980 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.547 -3.531 0.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.262 -6.178 -0.386 1.00 0.00 H new ATOM 0 HH2 TRP A 44 4.205 -4.964 -1.215 1.00 0.00 H new ATOM 662 N LEU A 45 -1.281 -4.465 5.881 1.00 0.00 N ATOM 663 CA LEU A 45 -2.404 -4.978 6.652 1.00 0.00 C ATOM 664 C LEU A 45 -2.611 -6.457 6.320 1.00 0.00 C ATOM 665 O LEU A 45 -3.128 -6.790 5.255 1.00 0.00 O ATOM 666 CB LEU A 45 -3.647 -4.117 6.425 1.00 0.00 C ATOM 667 CG LEU A 45 -4.992 -4.800 6.678 1.00 0.00 C ATOM 668 CD1 LEU A 45 -5.233 -4.997 8.174 1.00 0.00 C ATOM 669 CD2 LEU A 45 -6.133 -4.028 6.012 1.00 0.00 C ATOM 0 H LEU A 45 -1.527 -4.094 4.963 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.193 -4.917 7.720 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.580 -3.241 7.070 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.633 -3.758 5.396 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.963 -5.790 6.222 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.196 -5.484 8.326 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.441 -5.619 8.591 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.234 -4.028 8.673 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.078 -4.535 6.207 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.173 -3.017 6.417 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.962 -3.982 4.937 1.00 0.00 H new ATOM 681 N GLU A 46 -2.194 -7.302 7.251 1.00 0.00 N ATOM 682 CA GLU A 46 -2.328 -8.737 7.070 1.00 0.00 C ATOM 683 C GLU A 46 -3.538 -9.260 7.845 1.00 0.00 C ATOM 684 O GLU A 46 -3.936 -8.673 8.851 1.00 0.00 O ATOM 685 CB GLU A 46 -1.050 -9.465 7.494 1.00 0.00 C ATOM 686 CG GLU A 46 -0.439 -10.231 6.319 1.00 0.00 C ATOM 687 CD GLU A 46 0.983 -10.692 6.646 1.00 0.00 C ATOM 688 OE1 GLU A 46 1.506 -10.375 7.725 1.00 0.00 O ATOM 689 OE2 GLU A 46 1.548 -11.406 5.731 1.00 0.00 O ATOM 0 H GLU A 46 -1.764 -7.021 8.132 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.487 -8.936 6.010 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.328 -8.745 7.878 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.274 -10.156 8.306 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.060 -11.095 6.081 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.425 -9.595 5.434 1.00 0.00 H new ATOM 697 N ASP A 47 -4.090 -10.357 7.350 1.00 0.00 N ATOM 698 CA ASP A 47 -5.249 -10.965 7.983 1.00 0.00 C ATOM 699 C ASP A 47 -5.228 -12.474 7.734 1.00 0.00 C ATOM 700 O ASP A 47 -5.667 -12.939 6.683 1.00 0.00 O ATOM 701 CB ASP A 47 -6.549 -10.407 7.404 1.00 0.00 C ATOM 702 CG ASP A 47 -7.443 -9.674 8.406 1.00 0.00 C ATOM 703 OD1 ASP A 47 -7.261 -9.791 9.628 1.00 0.00 O ATOM 704 OD2 ASP A 47 -8.371 -8.949 7.880 1.00 0.00 O ATOM 0 H ASP A 47 -3.756 -10.842 6.517 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.206 -10.743 9.049 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.303 -9.723 6.592 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.117 -11.229 6.967 1.00 0.00 H new ATOM 710 N GLY A 48 -4.711 -13.198 8.717 1.00 0.00 N ATOM 711 CA GLY A 48 -4.629 -14.644 8.616 1.00 0.00 C ATOM 712 C GLY A 48 -3.172 -15.114 8.657 1.00 0.00 C ATOM 713 O GLY A 48 -2.694 -15.745 7.716 1.00 0.00 O ATOM 0 H GLY A 48 -4.345 -12.809 9.586 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -5.186 -15.102 9.434 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.096 -14.975 7.688 1.00 0.00 H new ATOM 717 N GLN A 49 -2.509 -14.785 9.757 1.00 0.00 N ATOM 718 CA GLN A 49 -1.117 -15.167 9.933 1.00 0.00 C ATOM 719 C GLN A 49 -0.564 -14.572 11.230 1.00 0.00 C ATOM 720 O GLN A 49 -0.287 -13.376 11.299 1.00 0.00 O ATOM 721 CB GLN A 49 -0.276 -14.736 8.729 1.00 0.00 C ATOM 722 CG GLN A 49 -0.332 -13.219 8.535 1.00 0.00 C ATOM 723 CD GLN A 49 0.892 -12.542 9.152 1.00 0.00 C ATOM 724 OE1 GLN A 49 2.013 -13.012 9.044 1.00 0.00 O ATOM 725 NE2 GLN A 49 0.618 -11.414 9.802 1.00 0.00 N ATOM 0 H GLN A 49 -2.909 -14.259 10.534 1.00 0.00 H new ATOM 0 HA GLN A 49 -1.063 -16.253 10.003 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.758 -15.050 8.872 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.639 -15.235 7.830 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.383 -12.987 7.471 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.239 -12.824 8.992 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.343 -11.076 9.854 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.369 -10.887 10.248 1.00 0.00 H new ATOM 734 N VAL A 50 -0.422 -15.434 12.224 1.00 0.00 N ATOM 735 CA VAL A 50 0.092 -15.011 13.514 1.00 0.00 C ATOM 736 C VAL A 50 1.523 -14.492 13.344 1.00 0.00 C ATOM 737 O VAL A 50 1.896 -14.037 12.264 1.00 0.00 O ATOM 738 CB VAL A 50 -0.011 -16.157 14.523 1.00 0.00 C ATOM 739 CG1 VAL A 50 1.206 -17.080 14.430 1.00 0.00 C ATOM 740 CG2 VAL A 50 -0.187 -15.621 15.945 1.00 0.00 C ATOM 0 H VAL A 50 -0.654 -16.425 12.162 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.507 -14.192 13.912 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.895 -16.744 14.275 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.108 -17.886 15.157 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.267 -17.502 13.427 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.111 -16.510 14.639 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.258 -16.456 16.642 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.669 -15.000 16.208 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.098 -15.025 15.999 1.00 0.00 H new ATOM 750 N MET A 51 2.283 -14.579 14.426 1.00 0.00 N ATOM 751 CA MET A 51 3.663 -14.124 14.408 1.00 0.00 C ATOM 752 C MET A 51 4.525 -15.025 13.520 1.00 0.00 C ATOM 753 O MET A 51 5.544 -15.550 13.969 1.00 0.00 O ATOM 754 CB MET A 51 4.219 -14.128 15.833 1.00 0.00 C ATOM 755 CG MET A 51 4.954 -12.821 16.137 1.00 0.00 C ATOM 756 SD MET A 51 6.709 -13.036 15.896 1.00 0.00 S ATOM 757 CE MET A 51 7.264 -12.974 17.592 1.00 0.00 C ATOM 0 H MET A 51 1.970 -14.957 15.320 1.00 0.00 H new ATOM 0 HA MET A 51 3.689 -13.113 14.001 1.00 0.00 H new ATOM 0 HB2 MET A 51 3.405 -14.266 16.545 1.00 0.00 H new ATOM 0 HB3 MET A 51 4.899 -14.970 15.960 1.00 0.00 H new ATOM 0 HG2 MET A 51 4.584 -12.027 15.488 1.00 0.00 H new ATOM 0 HG3 MET A 51 4.755 -12.513 17.163 1.00 0.00 H new ATOM 0 HE1 MET A 51 8.347 -13.093 17.625 1.00 0.00 H new ATOM 0 HE2 MET A 51 6.991 -12.013 18.029 1.00 0.00 H new ATOM 0 HE3 MET A 51 6.793 -13.777 18.159 1.00 0.00 H new ATOM 767 N ASP A 52 4.086 -15.175 12.280 1.00 0.00 N ATOM 768 CA ASP A 52 4.804 -16.002 11.326 1.00 0.00 C ATOM 769 C ASP A 52 6.155 -15.353 11.012 1.00 0.00 C ATOM 770 O ASP A 52 6.673 -14.572 11.809 1.00 0.00 O ATOM 771 CB ASP A 52 4.027 -16.134 10.016 1.00 0.00 C ATOM 772 CG ASP A 52 4.234 -17.455 9.271 1.00 0.00 C ATOM 773 OD1 ASP A 52 4.601 -18.475 9.872 1.00 0.00 O ATOM 774 OD2 ASP A 52 3.998 -17.408 8.004 1.00 0.00 O ATOM 0 H ASP A 52 3.241 -14.737 11.913 1.00 0.00 H new ATOM 0 HA ASP A 52 4.935 -16.990 11.767 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.964 -16.017 10.228 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.313 -15.314 9.357 1.00 0.00 H new ATOM 780 N VAL A 53 6.686 -15.701 9.849 1.00 0.00 N ATOM 781 CA VAL A 53 7.964 -15.164 9.418 1.00 0.00 C ATOM 782 C VAL A 53 7.768 -14.354 8.135 1.00 0.00 C ATOM 783 O VAL A 53 8.737 -13.917 7.518 1.00 0.00 O ATOM 784 CB VAL A 53 8.982 -16.295 9.262 1.00 0.00 C ATOM 785 CG1 VAL A 53 9.831 -16.099 8.003 1.00 0.00 C ATOM 786 CG2 VAL A 53 9.866 -16.416 10.504 1.00 0.00 C ATOM 0 H VAL A 53 6.253 -16.349 9.191 1.00 0.00 H new ATOM 0 HA VAL A 53 8.365 -14.486 10.171 1.00 0.00 H new ATOM 0 HB VAL A 53 8.429 -17.228 9.153 1.00 0.00 H new ATOM 0 HG11 VAL A 53 10.547 -16.917 7.916 1.00 0.00 H new ATOM 0 HG12 VAL A 53 9.184 -16.088 7.126 1.00 0.00 H new ATOM 0 HG13 VAL A 53 10.368 -15.153 8.070 1.00 0.00 H new ATOM 0 HG21 VAL A 53 10.580 -17.228 10.365 1.00 0.00 H new ATOM 0 HG22 VAL A 53 10.405 -15.481 10.659 1.00 0.00 H new ATOM 0 HG23 VAL A 53 9.244 -16.625 11.374 1.00 0.00 H new ATOM 796 N ASP A 54 6.505 -14.177 7.774 1.00 0.00 N ATOM 797 CA ASP A 54 6.169 -13.428 6.576 1.00 0.00 C ATOM 798 C ASP A 54 5.876 -11.975 6.954 1.00 0.00 C ATOM 799 O ASP A 54 4.910 -11.697 7.663 1.00 0.00 O ATOM 800 CB ASP A 54 4.922 -14.003 5.899 1.00 0.00 C ATOM 801 CG ASP A 54 3.652 -13.975 6.753 1.00 0.00 C ATOM 802 OD1 ASP A 54 2.975 -12.943 6.859 1.00 0.00 O ATOM 803 OD2 ASP A 54 3.364 -15.090 7.334 1.00 0.00 O ATOM 0 H ASP A 54 5.703 -14.539 8.290 1.00 0.00 H new ATOM 0 HA ASP A 54 7.013 -13.492 5.890 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.736 -13.447 4.980 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.126 -15.034 5.611 1.00 0.00 H new ATOM 809 N LEU A 55 6.725 -11.086 6.462 1.00 0.00 N ATOM 810 CA LEU A 55 6.569 -9.668 6.738 1.00 0.00 C ATOM 811 C LEU A 55 6.799 -8.873 5.453 1.00 0.00 C ATOM 812 O LEU A 55 7.399 -9.379 4.506 1.00 0.00 O ATOM 813 CB LEU A 55 7.479 -9.245 7.895 1.00 0.00 C ATOM 814 CG LEU A 55 8.598 -8.264 7.542 1.00 0.00 C ATOM 815 CD1 LEU A 55 9.485 -8.821 6.429 1.00 0.00 C ATOM 816 CD2 LEU A 55 8.031 -6.887 7.190 1.00 0.00 C ATOM 0 H LEU A 55 7.524 -11.320 5.873 1.00 0.00 H new ATOM 0 HA LEU A 55 5.552 -9.454 7.067 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.861 -8.796 8.672 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.929 -10.140 8.323 1.00 0.00 H new ATOM 0 HG LEU A 55 9.229 -8.136 8.422 1.00 0.00 H new ATOM 0 HD11 LEU A 55 10.272 -8.103 6.198 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.934 -9.759 6.756 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.883 -8.998 5.538 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.848 -6.209 6.943 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.363 -6.977 6.334 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.478 -6.493 8.042 1.00 0.00 H new ATOM 828 N SER A 56 6.311 -7.641 5.461 1.00 0.00 N ATOM 829 CA SER A 56 6.456 -6.770 4.306 1.00 0.00 C ATOM 830 C SER A 56 7.098 -5.448 4.726 1.00 0.00 C ATOM 831 O SER A 56 6.644 -4.804 5.672 1.00 0.00 O ATOM 832 CB SER A 56 5.104 -6.514 3.637 1.00 0.00 C ATOM 833 OG SER A 56 4.016 -6.738 4.529 1.00 0.00 O ATOM 0 H SER A 56 5.815 -7.225 6.249 1.00 0.00 H new ATOM 0 HA SER A 56 7.102 -7.266 3.582 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.069 -5.487 3.273 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.000 -7.164 2.768 1.00 0.00 H new ATOM 0 HG SER A 56 3.170 -6.636 4.045 1.00 0.00 H new ATOM 839 N THR A 57 8.148 -5.081 4.004 1.00 0.00 N ATOM 840 CA THR A 57 8.858 -3.845 4.290 1.00 0.00 C ATOM 841 C THR A 57 9.105 -3.062 2.999 1.00 0.00 C ATOM 842 O THR A 57 9.082 -3.631 1.910 1.00 0.00 O ATOM 843 CB THR A 57 10.142 -4.202 5.041 1.00 0.00 C ATOM 844 OG1 THR A 57 9.923 -5.535 5.493 1.00 0.00 O ATOM 845 CG2 THR A 57 10.312 -3.393 6.330 1.00 0.00 C ATOM 0 H THR A 57 8.524 -5.618 3.222 1.00 0.00 H new ATOM 0 HA THR A 57 8.266 -3.185 4.924 1.00 0.00 H new ATOM 0 HB THR A 57 11.000 -4.033 4.391 1.00 0.00 H new ATOM 0 HG1 THR A 57 10.709 -5.845 5.989 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.239 -3.686 6.824 1.00 0.00 H new ATOM 0 HG22 THR A 57 10.348 -2.330 6.090 1.00 0.00 H new ATOM 0 HG23 THR A 57 9.470 -3.587 6.995 1.00 0.00 H new ATOM 853 N ALA A 58 9.338 -1.768 3.166 1.00 0.00 N ATOM 854 CA ALA A 58 9.590 -0.901 2.028 1.00 0.00 C ATOM 855 C ALA A 58 10.787 0.001 2.334 1.00 0.00 C ATOM 856 O ALA A 58 11.042 0.326 3.492 1.00 0.00 O ATOM 857 CB ALA A 58 8.325 -0.102 1.705 1.00 0.00 C ATOM 0 H ALA A 58 9.357 -1.300 4.072 1.00 0.00 H new ATOM 0 HA ALA A 58 9.839 -1.490 1.145 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.514 0.549 0.851 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.512 -0.788 1.466 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.047 0.503 2.568 1.00 0.00 H new ATOM 863 N SER A 59 11.489 0.378 1.276 1.00 0.00 N ATOM 864 CA SER A 59 12.654 1.235 1.417 1.00 0.00 C ATOM 865 C SER A 59 12.338 2.638 0.894 1.00 0.00 C ATOM 866 O SER A 59 11.547 2.794 -0.033 1.00 0.00 O ATOM 867 CB SER A 59 13.861 0.653 0.677 1.00 0.00 C ATOM 868 OG SER A 59 15.005 0.553 1.521 1.00 0.00 O ATOM 0 H SER A 59 11.274 0.106 0.317 1.00 0.00 H new ATOM 0 HA SER A 59 12.906 1.296 2.476 1.00 0.00 H new ATOM 0 HB2 SER A 59 13.608 -0.334 0.290 1.00 0.00 H new ATOM 0 HB3 SER A 59 14.097 1.281 -0.182 1.00 0.00 H new ATOM 0 HG SER A 59 15.754 0.176 1.014 1.00 0.00 H new ATOM 874 N THR A 60 12.972 3.623 1.515 1.00 0.00 N ATOM 875 CA THR A 60 12.770 5.006 1.124 1.00 0.00 C ATOM 876 C THR A 60 13.979 5.524 0.343 1.00 0.00 C ATOM 877 O THR A 60 15.117 5.167 0.646 1.00 0.00 O ATOM 878 CB THR A 60 12.471 5.815 2.387 1.00 0.00 C ATOM 879 OG1 THR A 60 12.516 7.172 1.950 1.00 0.00 O ATOM 880 CG2 THR A 60 13.593 5.721 3.423 1.00 0.00 C ATOM 0 H THR A 60 13.626 3.489 2.286 1.00 0.00 H new ATOM 0 HA THR A 60 11.921 5.105 0.448 1.00 0.00 H new ATOM 0 HB THR A 60 11.538 5.464 2.829 1.00 0.00 H new ATOM 0 HG1 THR A 60 12.651 7.760 2.722 1.00 0.00 H new ATOM 0 HG21 THR A 60 13.330 6.313 4.299 1.00 0.00 H new ATOM 0 HG22 THR A 60 13.731 4.680 3.716 1.00 0.00 H new ATOM 0 HG23 THR A 60 14.519 6.102 2.992 1.00 0.00 H new ATOM 888 N THR A 61 13.692 6.356 -0.646 1.00 0.00 N ATOM 889 CA THR A 61 14.744 6.927 -1.473 1.00 0.00 C ATOM 890 C THR A 61 14.464 8.406 -1.744 1.00 0.00 C ATOM 891 O THR A 61 13.325 8.856 -1.642 1.00 0.00 O ATOM 892 CB THR A 61 14.853 6.085 -2.746 1.00 0.00 C ATOM 893 OG1 THR A 61 13.527 5.605 -2.959 1.00 0.00 O ATOM 894 CG2 THR A 61 15.681 4.816 -2.540 1.00 0.00 C ATOM 0 H THR A 61 12.747 6.649 -0.895 1.00 0.00 H new ATOM 0 HA THR A 61 15.708 6.899 -0.964 1.00 0.00 H new ATOM 0 HB THR A 61 15.299 6.684 -3.540 1.00 0.00 H new ATOM 0 HG1 THR A 61 12.884 6.312 -2.743 1.00 0.00 H new ATOM 0 HG21 THR A 61 15.726 4.256 -3.474 1.00 0.00 H new ATOM 0 HG22 THR A 61 16.690 5.086 -2.230 1.00 0.00 H new ATOM 0 HG23 THR A 61 15.217 4.200 -1.769 1.00 0.00 H new ATOM 902 N GLN A 62 15.525 9.123 -2.087 1.00 0.00 N ATOM 903 CA GLN A 62 15.410 10.542 -2.374 1.00 0.00 C ATOM 904 C GLN A 62 15.364 10.775 -3.884 1.00 0.00 C ATOM 905 O GLN A 62 16.248 10.332 -4.613 1.00 0.00 O ATOM 906 CB GLN A 62 16.555 11.327 -1.732 1.00 0.00 C ATOM 907 CG GLN A 62 17.888 11.007 -2.413 1.00 0.00 C ATOM 908 CD GLN A 62 19.066 11.484 -1.562 1.00 0.00 C ATOM 909 OE1 GLN A 62 19.702 12.486 -1.843 1.00 0.00 O ATOM 910 NE2 GLN A 62 19.320 10.712 -0.510 1.00 0.00 N ATOM 0 H GLN A 62 16.469 8.746 -2.172 1.00 0.00 H new ATOM 0 HA GLN A 62 14.478 10.906 -1.941 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.353 12.396 -1.804 1.00 0.00 H new ATOM 0 HB3 GLN A 62 16.617 11.085 -0.671 1.00 0.00 H new ATOM 0 HG2 GLN A 62 17.967 9.933 -2.580 1.00 0.00 H new ATOM 0 HG3 GLN A 62 17.925 11.485 -3.392 1.00 0.00 H new ATOM 0 HE21 GLN A 62 18.747 9.887 -0.333 1.00 0.00 H new ATOM 0 HE22 GLN A 62 20.087 10.945 0.120 1.00 0.00 H new ATOM 919 N GLU A 63 14.321 11.474 -4.312 1.00 0.00 N ATOM 920 CA GLU A 63 14.148 11.773 -5.724 1.00 0.00 C ATOM 921 C GLU A 63 13.923 13.272 -5.925 1.00 0.00 C ATOM 922 O GLU A 63 12.845 13.690 -6.345 1.00 0.00 O ATOM 923 CB GLU A 63 12.997 10.959 -6.319 1.00 0.00 C ATOM 924 CG GLU A 63 13.386 9.488 -6.473 1.00 0.00 C ATOM 925 CD GLU A 63 14.147 9.256 -7.779 1.00 0.00 C ATOM 926 OE1 GLU A 63 13.527 8.987 -8.819 1.00 0.00 O ATOM 927 OE2 GLU A 63 15.431 9.364 -7.689 1.00 0.00 O ATOM 0 H GLU A 63 13.588 11.841 -3.705 1.00 0.00 H new ATOM 0 HA GLU A 63 15.059 11.490 -6.251 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.120 11.041 -5.678 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.721 11.369 -7.290 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.003 9.181 -5.629 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.490 8.867 -6.455 1.00 0.00 H new ATOM 935 N GLY A 64 14.957 14.040 -5.618 1.00 0.00 N ATOM 936 CA GLY A 64 14.884 15.486 -5.759 1.00 0.00 C ATOM 937 C GLY A 64 14.036 16.104 -4.647 1.00 0.00 C ATOM 938 O GLY A 64 14.460 16.155 -3.493 1.00 0.00 O ATOM 0 H GLY A 64 15.850 13.690 -5.272 1.00 0.00 H new ATOM 0 HA2 GLY A 64 15.888 15.908 -5.732 1.00 0.00 H new ATOM 0 HA3 GLY A 64 14.457 15.739 -6.730 1.00 0.00 H new ATOM 942 N GLU A 65 12.852 16.559 -5.033 1.00 0.00 N ATOM 943 CA GLU A 65 11.941 17.172 -4.082 1.00 0.00 C ATOM 944 C GLU A 65 10.857 16.175 -3.666 1.00 0.00 C ATOM 945 O GLU A 65 9.978 16.504 -2.871 1.00 0.00 O ATOM 946 CB GLU A 65 11.321 18.445 -4.661 1.00 0.00 C ATOM 947 CG GLU A 65 10.709 19.307 -3.555 1.00 0.00 C ATOM 948 CD GLU A 65 11.630 20.475 -3.197 1.00 0.00 C ATOM 949 OE1 GLU A 65 12.751 20.253 -2.714 1.00 0.00 O ATOM 950 OE2 GLU A 65 11.147 21.646 -3.438 1.00 0.00 O ATOM 0 H GLU A 65 12.504 16.515 -5.991 1.00 0.00 H new ATOM 0 HA GLU A 65 12.508 17.453 -3.195 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.082 19.016 -5.193 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.554 18.182 -5.389 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.741 19.689 -3.880 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.530 18.696 -2.670 1.00 0.00 H new ATOM 958 N LEU A 66 10.957 14.975 -4.222 1.00 0.00 N ATOM 959 CA LEU A 66 9.998 13.929 -3.919 1.00 0.00 C ATOM 960 C LEU A 66 10.696 12.814 -3.138 1.00 0.00 C ATOM 961 O LEU A 66 11.905 12.866 -2.921 1.00 0.00 O ATOM 962 CB LEU A 66 9.309 13.446 -5.197 1.00 0.00 C ATOM 963 CG LEU A 66 8.424 14.471 -5.910 1.00 0.00 C ATOM 964 CD1 LEU A 66 9.265 15.425 -6.760 1.00 0.00 C ATOM 965 CD2 LEU A 66 7.336 13.779 -6.732 1.00 0.00 C ATOM 0 H LEU A 66 11.688 14.706 -4.880 1.00 0.00 H new ATOM 0 HA LEU A 66 9.202 14.315 -3.282 1.00 0.00 H new ATOM 0 HB2 LEU A 66 10.076 13.110 -5.895 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.699 12.577 -4.951 1.00 0.00 H new ATOM 0 HG LEU A 66 7.921 15.073 -5.153 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.611 16.143 -7.256 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.970 15.957 -6.121 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.814 14.856 -7.510 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.722 14.530 -7.228 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.799 13.137 -7.481 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.711 13.176 -6.074 1.00 0.00 H new ATOM 977 N ALA A 67 9.903 11.829 -2.739 1.00 0.00 N ATOM 978 CA ALA A 67 10.431 10.703 -1.985 1.00 0.00 C ATOM 979 C ALA A 67 9.861 9.404 -2.557 1.00 0.00 C ATOM 980 O ALA A 67 8.647 9.217 -2.599 1.00 0.00 O ATOM 981 CB ALA A 67 10.100 10.880 -0.501 1.00 0.00 C ATOM 0 H ALA A 67 8.901 11.787 -2.923 1.00 0.00 H new ATOM 0 HA ALA A 67 11.516 10.657 -2.073 1.00 0.00 H new ATOM 0 HB1 ALA A 67 10.496 10.036 0.063 1.00 0.00 H new ATOM 0 HB2 ALA A 67 10.549 11.803 -0.136 1.00 0.00 H new ATOM 0 HB3 ALA A 67 9.019 10.927 -0.373 1.00 0.00 H new ATOM 987 N SER A 68 10.769 8.536 -2.986 1.00 0.00 N ATOM 988 CA SER A 68 10.373 7.259 -3.554 1.00 0.00 C ATOM 989 C SER A 68 10.580 6.144 -2.529 1.00 0.00 C ATOM 990 O SER A 68 11.699 5.917 -2.067 1.00 0.00 O ATOM 991 CB SER A 68 11.158 6.957 -4.831 1.00 0.00 C ATOM 992 OG SER A 68 10.698 5.773 -5.475 1.00 0.00 O ATOM 0 H SER A 68 11.776 8.693 -2.951 1.00 0.00 H new ATOM 0 HA SER A 68 9.316 7.314 -3.814 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.071 7.799 -5.517 1.00 0.00 H new ATOM 0 HB3 SER A 68 12.216 6.850 -4.589 1.00 0.00 H new ATOM 0 HG SER A 68 11.224 5.617 -6.287 1.00 0.00 H new ATOM 998 N THR A 69 9.484 5.474 -2.199 1.00 0.00 N ATOM 999 CA THR A 69 9.532 4.388 -1.235 1.00 0.00 C ATOM 1000 C THR A 69 8.970 3.106 -1.850 1.00 0.00 C ATOM 1001 O THR A 69 7.789 3.039 -2.188 1.00 0.00 O ATOM 1002 CB THR A 69 8.783 4.837 0.021 1.00 0.00 C ATOM 1003 OG1 THR A 69 9.817 5.227 0.921 1.00 0.00 O ATOM 1004 CG2 THR A 69 8.090 3.677 0.736 1.00 0.00 C ATOM 0 H THR A 69 8.558 5.663 -2.583 1.00 0.00 H new ATOM 0 HA THR A 69 10.559 4.155 -0.953 1.00 0.00 H new ATOM 0 HB THR A 69 8.044 5.592 -0.249 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.659 6.146 1.222 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.574 4.051 1.620 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.368 3.214 0.063 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.833 2.938 1.035 1.00 0.00 H new ATOM 1012 N GLN A 70 9.843 2.116 -1.978 1.00 0.00 N ATOM 1013 CA GLN A 70 9.448 0.840 -2.548 1.00 0.00 C ATOM 1014 C GLN A 70 9.140 -0.164 -1.435 1.00 0.00 C ATOM 1015 O GLN A 70 9.988 -0.438 -0.588 1.00 0.00 O ATOM 1016 CB GLN A 70 10.529 0.302 -3.489 1.00 0.00 C ATOM 1017 CG GLN A 70 11.835 0.044 -2.732 1.00 0.00 C ATOM 1018 CD GLN A 70 13.032 0.629 -3.489 1.00 0.00 C ATOM 1019 OE1 GLN A 70 12.895 1.483 -4.350 1.00 0.00 O ATOM 1020 NE2 GLN A 70 14.202 0.122 -3.122 1.00 0.00 N ATOM 0 H GLN A 70 10.822 2.173 -1.697 1.00 0.00 H new ATOM 0 HA GLN A 70 8.543 0.990 -3.137 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.185 -0.622 -3.954 1.00 0.00 H new ATOM 0 HB3 GLN A 70 10.705 1.017 -4.293 1.00 0.00 H new ATOM 0 HG2 GLN A 70 11.777 0.487 -1.738 1.00 0.00 H new ATOM 0 HG3 GLN A 70 11.975 -1.028 -2.596 1.00 0.00 H new ATOM 0 HE21 GLN A 70 14.243 -0.591 -2.394 1.00 0.00 H new ATOM 0 HE22 GLN A 70 15.060 0.445 -3.568 1.00 0.00 H new ATOM 1029 N SER A 71 7.924 -0.686 -1.474 1.00 0.00 N ATOM 1030 CA SER A 71 7.491 -1.653 -0.480 1.00 0.00 C ATOM 1031 C SER A 71 7.581 -3.070 -1.053 1.00 0.00 C ATOM 1032 O SER A 71 7.506 -3.258 -2.266 1.00 0.00 O ATOM 1033 CB SER A 71 6.065 -1.363 -0.009 1.00 0.00 C ATOM 1034 OG SER A 71 5.849 -1.784 1.336 1.00 0.00 O ATOM 0 H SER A 71 7.224 -0.457 -2.179 1.00 0.00 H new ATOM 0 HA SER A 71 8.152 -1.572 0.383 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.867 -0.294 -0.090 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.357 -1.869 -0.665 1.00 0.00 H new ATOM 0 HG SER A 71 5.037 -2.330 1.381 1.00 0.00 H new ATOM 1040 N GLU A 72 7.742 -4.029 -0.154 1.00 0.00 N ATOM 1041 CA GLU A 72 7.844 -5.422 -0.556 1.00 0.00 C ATOM 1042 C GLU A 72 7.213 -6.327 0.504 1.00 0.00 C ATOM 1043 O GLU A 72 7.116 -5.949 1.671 1.00 0.00 O ATOM 1044 CB GLU A 72 9.300 -5.813 -0.818 1.00 0.00 C ATOM 1045 CG GLU A 72 10.160 -4.576 -1.085 1.00 0.00 C ATOM 1046 CD GLU A 72 11.625 -4.963 -1.294 1.00 0.00 C ATOM 1047 OE1 GLU A 72 12.190 -4.694 -2.365 1.00 0.00 O ATOM 1048 OE2 GLU A 72 12.178 -5.560 -0.295 1.00 0.00 O ATOM 0 H GLU A 72 7.804 -3.869 0.852 1.00 0.00 H new ATOM 0 HA GLU A 72 7.296 -5.552 -1.489 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.695 -6.356 0.041 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.351 -6.487 -1.673 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.789 -4.054 -1.967 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.079 -3.884 -0.247 1.00 0.00 H new ATOM 1056 N LEU A 73 6.806 -7.507 0.063 1.00 0.00 N ATOM 1057 CA LEU A 73 6.188 -8.470 0.961 1.00 0.00 C ATOM 1058 C LEU A 73 6.773 -9.858 0.692 1.00 0.00 C ATOM 1059 O LEU A 73 7.019 -10.221 -0.457 1.00 0.00 O ATOM 1060 CB LEU A 73 4.664 -8.412 0.842 1.00 0.00 C ATOM 1061 CG LEU A 73 3.887 -9.424 1.687 1.00 0.00 C ATOM 1062 CD1 LEU A 73 4.345 -9.384 3.148 1.00 0.00 C ATOM 1063 CD2 LEU A 73 2.379 -9.205 1.553 1.00 0.00 C ATOM 0 H LEU A 73 6.891 -7.820 -0.904 1.00 0.00 H new ATOM 0 HA LEU A 73 6.413 -8.223 1.999 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.336 -7.410 1.118 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.395 -8.559 -0.204 1.00 0.00 H new ATOM 0 HG LEU A 73 4.102 -10.423 1.309 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.777 -10.112 3.727 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.407 -9.624 3.203 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.177 -8.387 3.555 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.849 -9.937 2.163 1.00 0.00 H new ATOM 0 HD22 LEU A 73 2.126 -8.200 1.891 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.086 -9.322 0.510 1.00 0.00 H new ATOM 1075 N THR A 74 6.979 -10.598 1.772 1.00 0.00 N ATOM 1076 CA THR A 74 7.530 -11.938 1.668 1.00 0.00 C ATOM 1077 C THR A 74 6.799 -12.891 2.615 1.00 0.00 C ATOM 1078 O THR A 74 6.856 -12.725 3.834 1.00 0.00 O ATOM 1079 CB THR A 74 9.034 -11.854 1.933 1.00 0.00 C ATOM 1080 OG1 THR A 74 9.264 -10.469 2.187 1.00 0.00 O ATOM 1081 CG2 THR A 74 9.868 -12.146 0.684 1.00 0.00 C ATOM 0 H THR A 74 6.774 -10.294 2.724 1.00 0.00 H new ATOM 0 HA THR A 74 7.384 -12.348 0.669 1.00 0.00 H new ATOM 0 HB THR A 74 9.303 -12.558 2.721 1.00 0.00 H new ATOM 0 HG1 THR A 74 10.216 -10.324 2.371 1.00 0.00 H new ATOM 0 HG21 THR A 74 10.928 -12.073 0.929 1.00 0.00 H new ATOM 0 HG22 THR A 74 9.647 -13.151 0.326 1.00 0.00 H new ATOM 0 HG23 THR A 74 9.624 -11.422 -0.094 1.00 0.00 H new ATOM 1089 N LEU A 75 6.127 -13.866 2.021 1.00 0.00 N ATOM 1090 CA LEU A 75 5.385 -14.845 2.797 1.00 0.00 C ATOM 1091 C LEU A 75 5.536 -16.223 2.148 1.00 0.00 C ATOM 1092 O LEU A 75 5.830 -16.324 0.958 1.00 0.00 O ATOM 1093 CB LEU A 75 3.932 -14.401 2.970 1.00 0.00 C ATOM 1094 CG LEU A 75 2.946 -14.911 1.916 1.00 0.00 C ATOM 1095 CD1 LEU A 75 2.249 -16.190 2.391 1.00 0.00 C ATOM 1096 CD2 LEU A 75 1.943 -13.823 1.531 1.00 0.00 C ATOM 0 H LEU A 75 6.081 -13.999 1.011 1.00 0.00 H new ATOM 0 HA LEU A 75 5.792 -14.921 3.805 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.587 -14.728 3.951 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.903 -13.311 2.969 1.00 0.00 H new ATOM 0 HG LEU A 75 3.508 -15.164 1.017 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.554 -16.532 1.624 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.994 -16.963 2.576 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.702 -15.986 3.312 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.254 -14.212 0.781 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.382 -13.516 2.414 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.476 -12.964 1.123 1.00 0.00 H new ATOM 1108 N SER A 76 5.324 -17.248 2.958 1.00 0.00 N ATOM 1109 CA SER A 76 5.433 -18.616 2.479 1.00 0.00 C ATOM 1110 C SER A 76 4.112 -19.054 1.842 1.00 0.00 C ATOM 1111 O SER A 76 3.039 -18.676 2.309 1.00 0.00 O ATOM 1112 CB SER A 76 5.816 -19.571 3.611 1.00 0.00 C ATOM 1113 OG SER A 76 6.772 -20.540 3.194 1.00 0.00 O ATOM 0 H SER A 76 5.077 -17.160 3.944 1.00 0.00 H new ATOM 0 HA SER A 76 6.223 -18.651 1.729 1.00 0.00 H new ATOM 0 HB2 SER A 76 6.221 -18.999 4.446 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.922 -20.078 3.975 1.00 0.00 H new ATOM 0 HG SER A 76 6.991 -21.129 3.946 1.00 0.00 H new ATOM 1119 N GLN A 77 4.234 -19.844 0.784 1.00 0.00 N ATOM 1120 CA GLN A 77 3.064 -20.334 0.078 1.00 0.00 C ATOM 1121 C GLN A 77 2.147 -21.098 1.038 1.00 0.00 C ATOM 1122 O GLN A 77 0.928 -21.094 0.871 1.00 0.00 O ATOM 1123 CB GLN A 77 3.466 -21.211 -1.108 1.00 0.00 C ATOM 1124 CG GLN A 77 3.985 -22.571 -0.636 1.00 0.00 C ATOM 1125 CD GLN A 77 4.040 -23.571 -1.792 1.00 0.00 C ATOM 1126 OE1 GLN A 77 3.091 -23.751 -2.535 1.00 0.00 O ATOM 1127 NE2 GLN A 77 5.203 -24.206 -1.901 1.00 0.00 N ATOM 0 H GLN A 77 5.126 -20.156 0.400 1.00 0.00 H new ATOM 0 HA GLN A 77 2.516 -19.478 -0.315 1.00 0.00 H new ATOM 0 HB2 GLN A 77 2.609 -21.354 -1.766 1.00 0.00 H new ATOM 0 HB3 GLN A 77 4.236 -20.707 -1.692 1.00 0.00 H new ATOM 0 HG2 GLN A 77 4.979 -22.454 -0.204 1.00 0.00 H new ATOM 0 HG3 GLN A 77 3.338 -22.957 0.152 1.00 0.00 H new ATOM 0 HE21 GLN A 77 5.957 -24.006 -1.243 1.00 0.00 H new ATOM 0 HE22 GLN A 77 5.342 -24.893 -2.642 1.00 0.00 H new ATOM 1136 N LYS A 78 2.769 -21.733 2.020 1.00 0.00 N ATOM 1137 CA LYS A 78 2.024 -22.499 3.005 1.00 0.00 C ATOM 1138 C LYS A 78 0.929 -21.617 3.610 1.00 0.00 C ATOM 1139 O LYS A 78 -0.252 -21.956 3.547 1.00 0.00 O ATOM 1140 CB LYS A 78 2.973 -23.099 4.045 1.00 0.00 C ATOM 1141 CG LYS A 78 2.848 -24.624 4.084 1.00 0.00 C ATOM 1142 CD LYS A 78 1.929 -25.070 5.221 1.00 0.00 C ATOM 1143 CE LYS A 78 0.535 -25.417 4.698 1.00 0.00 C ATOM 1144 NZ LYS A 78 0.558 -26.713 3.985 1.00 0.00 N ATOM 0 H LYS A 78 3.780 -21.733 2.155 1.00 0.00 H new ATOM 0 HA LYS A 78 1.527 -23.346 2.532 1.00 0.00 H new ATOM 0 HB2 LYS A 78 4.000 -22.820 3.809 1.00 0.00 H new ATOM 0 HB3 LYS A 78 2.749 -22.687 5.029 1.00 0.00 H new ATOM 0 HG2 LYS A 78 2.457 -24.985 3.133 1.00 0.00 H new ATOM 0 HG3 LYS A 78 3.834 -25.070 4.213 1.00 0.00 H new ATOM 0 HD2 LYS A 78 2.359 -25.937 5.722 1.00 0.00 H new ATOM 0 HD3 LYS A 78 1.855 -24.277 5.965 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.170 -25.464 5.528 1.00 0.00 H new ATOM 0 HE3 LYS A 78 0.186 -24.632 4.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -0.415 -27.057 3.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.004 -26.589 3.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 1.101 -27.405 4.540 1.00 0.00 H new ATOM 1158 N HIS A 79 1.360 -20.501 4.179 1.00 0.00 N ATOM 1159 CA HIS A 79 0.431 -19.567 4.794 1.00 0.00 C ATOM 1160 C HIS A 79 -0.613 -19.131 3.766 1.00 0.00 C ATOM 1161 O HIS A 79 -1.785 -18.965 4.098 1.00 0.00 O ATOM 1162 CB HIS A 79 1.179 -18.387 5.415 1.00 0.00 C ATOM 1163 CG HIS A 79 1.235 -18.424 6.925 1.00 0.00 C ATOM 1164 ND1 HIS A 79 0.439 -17.830 7.860 1.00 0.00 N flip ATOM 1165 CD2 HIS A 79 2.199 -19.130 7.623 1.00 0.00 C flip ATOM 1166 CE1 HIS A 79 0.890 -18.160 9.065 1.00 0.00 C flip ATOM 1167 NE2 HIS A 79 1.981 -18.965 8.920 1.00 0.00 N flip ATOM 0 H HIS A 79 2.340 -20.222 4.227 1.00 0.00 H new ATOM 0 HA HIS A 79 -0.097 -20.058 5.611 1.00 0.00 H new ATOM 0 HB2 HIS A 79 2.196 -18.368 5.024 1.00 0.00 H new ATOM 0 HB3 HIS A 79 0.699 -17.460 5.102 1.00 0.00 H new ATOM 0 HD2 HIS A 79 2.994 -19.716 7.185 1.00 0.00 H new ATOM 0 HE1 HIS A 79 0.463 -17.843 10.005 1.00 0.00 H new ATOM 0 HE2 HIS A 79 2.533 -19.369 9.677 1.00 0.00 H new ATOM 1175 N TRP A 80 -0.150 -18.959 2.534 1.00 0.00 N ATOM 1176 CA TRP A 80 -1.030 -18.544 1.456 1.00 0.00 C ATOM 1177 C TRP A 80 -2.089 -19.632 1.266 1.00 0.00 C ATOM 1178 O TRP A 80 -3.247 -19.331 0.979 1.00 0.00 O ATOM 1179 CB TRP A 80 -0.236 -18.254 0.182 1.00 0.00 C ATOM 1180 CG TRP A 80 -1.105 -17.985 -1.048 1.00 0.00 C ATOM 1181 CD1 TRP A 80 -1.818 -18.866 -1.763 1.00 0.00 C ATOM 1182 CD2 TRP A 80 -1.329 -16.708 -1.681 1.00 0.00 C ATOM 1183 NE1 TRP A 80 -2.480 -18.253 -2.806 1.00 0.00 N ATOM 1184 CE2 TRP A 80 -2.174 -16.899 -2.755 1.00 0.00 C ATOM 1185 CE3 TRP A 80 -0.833 -15.432 -1.357 1.00 0.00 C ATOM 1186 CZ2 TRP A 80 -2.597 -15.859 -3.592 1.00 0.00 C ATOM 1187 CZ3 TRP A 80 -1.266 -14.404 -2.201 1.00 0.00 C ATOM 1188 CH2 TRP A 80 -2.116 -14.580 -3.286 1.00 0.00 C ATOM 0 H TRP A 80 0.823 -19.100 2.261 1.00 0.00 H new ATOM 0 HA TRP A 80 -1.532 -17.609 1.705 1.00 0.00 H new ATOM 0 HB2 TRP A 80 0.406 -17.391 0.356 1.00 0.00 H new ATOM 0 HB3 TRP A 80 0.418 -19.101 -0.027 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -1.868 -19.923 -1.549 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -3.084 -18.710 -3.490 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -0.170 -15.260 -0.522 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -3.258 -16.034 -4.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -0.915 -13.404 -1.995 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -2.405 -13.733 -3.891 1.00 0.00 H new ATOM 1199 N LEU A 81 -1.653 -20.872 1.429 1.00 0.00 N ATOM 1200 CA LEU A 81 -2.550 -22.007 1.279 1.00 0.00 C ATOM 1201 C LEU A 81 -3.541 -22.024 2.444 1.00 0.00 C ATOM 1202 O LEU A 81 -4.688 -22.441 2.282 1.00 0.00 O ATOM 1203 CB LEU A 81 -1.752 -23.303 1.131 1.00 0.00 C ATOM 1204 CG LEU A 81 -1.840 -23.993 -0.234 1.00 0.00 C ATOM 1205 CD1 LEU A 81 -3.259 -24.502 -0.500 1.00 0.00 C ATOM 1206 CD2 LEU A 81 -1.344 -23.068 -1.347 1.00 0.00 C ATOM 0 H LEU A 81 -0.691 -21.117 1.663 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.135 -21.914 0.364 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.704 -23.087 1.340 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.091 -24.004 1.893 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.183 -24.863 -0.222 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.295 -24.988 -1.475 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.539 -25.218 0.272 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.955 -23.663 -0.487 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.417 -23.581 -2.306 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.956 -22.166 -1.371 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.305 -22.796 -1.159 1.00 0.00 H new ATOM 1218 N SER A 82 -3.064 -21.570 3.593 1.00 0.00 N ATOM 1219 CA SER A 82 -3.894 -21.530 4.785 1.00 0.00 C ATOM 1220 C SER A 82 -4.874 -20.357 4.702 1.00 0.00 C ATOM 1221 O SER A 82 -5.611 -20.091 5.649 1.00 0.00 O ATOM 1222 CB SER A 82 -3.039 -21.417 6.048 1.00 0.00 C ATOM 1223 OG SER A 82 -3.682 -21.995 7.181 1.00 0.00 O ATOM 0 H SER A 82 -2.113 -21.226 3.724 1.00 0.00 H new ATOM 0 HA SER A 82 -4.456 -22.462 4.841 1.00 0.00 H new ATOM 0 HB2 SER A 82 -2.082 -21.911 5.883 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.825 -20.367 6.249 1.00 0.00 H new ATOM 0 HG SER A 82 -3.104 -21.904 7.967 1.00 0.00 H new ATOM 1229 N ASP A 83 -4.849 -19.687 3.557 1.00 0.00 N ATOM 1230 CA ASP A 83 -5.725 -18.549 3.338 1.00 0.00 C ATOM 1231 C ASP A 83 -5.311 -17.406 4.266 1.00 0.00 C ATOM 1232 O ASP A 83 -4.909 -17.641 5.404 1.00 0.00 O ATOM 1233 CB ASP A 83 -7.181 -18.907 3.647 1.00 0.00 C ATOM 1234 CG ASP A 83 -7.997 -17.788 4.295 1.00 0.00 C ATOM 1235 OD1 ASP A 83 -7.870 -16.610 3.929 1.00 0.00 O ATOM 1236 OD2 ASP A 83 -8.804 -18.170 5.226 1.00 0.00 O ATOM 0 H ASP A 83 -4.236 -19.911 2.773 1.00 0.00 H new ATOM 0 HA ASP A 83 -5.641 -18.255 2.292 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.671 -19.204 2.720 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.194 -19.775 4.306 1.00 0.00 H new ATOM 1242 N ARG A 84 -5.426 -16.193 3.746 1.00 0.00 N ATOM 1243 CA ARG A 84 -5.070 -15.012 4.515 1.00 0.00 C ATOM 1244 C ARG A 84 -5.281 -13.749 3.676 1.00 0.00 C ATOM 1245 O ARG A 84 -5.845 -13.812 2.585 1.00 0.00 O ATOM 1246 CB ARG A 84 -3.610 -15.074 4.973 1.00 0.00 C ATOM 1247 CG ARG A 84 -2.666 -14.609 3.863 1.00 0.00 C ATOM 1248 CD ARG A 84 -1.996 -13.284 4.232 1.00 0.00 C ATOM 1249 NE ARG A 84 -0.523 -13.430 4.181 1.00 0.00 N ATOM 1250 CZ ARG A 84 0.167 -14.379 4.847 1.00 0.00 C ATOM 1251 NH1 ARG A 84 -0.477 -15.275 5.626 1.00 0.00 N ATOM 1252 NH2 ARG A 84 1.480 -14.418 4.729 1.00 0.00 N ATOM 0 H ARG A 84 -5.761 -16.002 2.802 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.714 -14.980 5.394 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.475 -14.448 5.855 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -3.360 -16.094 5.264 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.905 -15.369 3.686 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.222 -14.493 2.933 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -2.316 -12.501 3.544 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -2.305 -12.977 5.231 1.00 0.00 H new ATOM 0 HE ARG A 84 0.003 -12.772 3.606 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -1.492 -15.237 5.714 1.00 0.00 H new ATOM 0 HH12 ARG A 84 0.052 -15.989 6.126 1.00 0.00 H new ATOM 0 HH21 ARG A 84 1.960 -13.737 4.141 1.00 0.00 H new ATOM 0 HH22 ARG A 84 2.016 -15.129 5.226 1.00 0.00 H new ATOM 1266 N THR A 85 -4.816 -12.633 4.218 1.00 0.00 N ATOM 1267 CA THR A 85 -4.946 -11.358 3.533 1.00 0.00 C ATOM 1268 C THR A 85 -3.625 -10.590 3.578 1.00 0.00 C ATOM 1269 O THR A 85 -3.028 -10.435 4.644 1.00 0.00 O ATOM 1270 CB THR A 85 -6.112 -10.599 4.169 1.00 0.00 C ATOM 1271 OG1 THR A 85 -7.132 -10.633 3.174 1.00 0.00 O ATOM 1272 CG2 THR A 85 -5.813 -9.108 4.343 1.00 0.00 C ATOM 0 H THR A 85 -4.349 -12.585 5.123 1.00 0.00 H new ATOM 0 HA THR A 85 -5.167 -11.498 2.475 1.00 0.00 H new ATOM 0 HB THR A 85 -6.346 -11.039 5.138 1.00 0.00 H new ATOM 0 HG1 THR A 85 -7.927 -10.164 3.504 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.672 -8.615 4.798 1.00 0.00 H new ATOM 0 HG22 THR A 85 -4.941 -8.984 4.985 1.00 0.00 H new ATOM 0 HG23 THR A 85 -5.612 -8.661 3.369 1.00 0.00 H new ATOM 1280 N TYR A 86 -3.203 -10.133 2.409 1.00 0.00 N ATOM 1281 CA TYR A 86 -1.962 -9.383 2.302 1.00 0.00 C ATOM 1282 C TYR A 86 -2.183 -8.053 1.578 1.00 0.00 C ATOM 1283 O TYR A 86 -2.549 -8.036 0.404 1.00 0.00 O ATOM 1284 CB TYR A 86 -1.016 -10.251 1.469 1.00 0.00 C ATOM 1285 CG TYR A 86 -1.699 -11.445 0.796 1.00 0.00 C ATOM 1286 CD1 TYR A 86 -2.702 -11.235 -0.129 1.00 0.00 C ATOM 1287 CD2 TYR A 86 -1.311 -12.731 1.114 1.00 0.00 C ATOM 1288 CE1 TYR A 86 -3.343 -12.357 -0.762 1.00 0.00 C ATOM 1289 CE2 TYR A 86 -1.954 -13.853 0.481 1.00 0.00 C ATOM 1290 CZ TYR A 86 -2.938 -13.612 -0.426 1.00 0.00 C ATOM 1291 OH TYR A 86 -3.544 -14.672 -1.025 1.00 0.00 O ATOM 0 H TYR A 86 -3.698 -10.267 1.527 1.00 0.00 H new ATOM 0 HA TYR A 86 -1.564 -9.159 3.292 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -0.551 -9.631 0.702 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -0.215 -10.618 2.111 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -3.006 -10.229 -0.378 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -0.526 -12.895 1.837 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -4.128 -12.206 -1.488 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -1.661 -14.864 0.721 1.00 0.00 H new ATOM 0 HH TYR A 86 -2.882 -15.178 -1.541 1.00 0.00 H new ATOM 1301 N THR A 87 -1.952 -6.974 2.311 1.00 0.00 N ATOM 1302 CA THR A 87 -2.122 -5.642 1.753 1.00 0.00 C ATOM 1303 C THR A 87 -0.996 -4.719 2.223 1.00 0.00 C ATOM 1304 O THR A 87 -0.615 -4.746 3.394 1.00 0.00 O ATOM 1305 CB THR A 87 -3.516 -5.145 2.136 1.00 0.00 C ATOM 1306 OG1 THR A 87 -4.370 -6.249 1.855 1.00 0.00 O ATOM 1307 CG2 THR A 87 -4.020 -4.038 1.206 1.00 0.00 C ATOM 0 H THR A 87 -1.649 -6.994 3.285 1.00 0.00 H new ATOM 0 HA THR A 87 -2.054 -5.656 0.665 1.00 0.00 H new ATOM 0 HB THR A 87 -3.499 -4.778 3.162 1.00 0.00 H new ATOM 0 HG1 THR A 87 -5.295 -6.012 2.077 1.00 0.00 H new ATOM 0 HG21 THR A 87 -5.014 -3.721 1.522 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.338 -3.189 1.248 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.067 -4.415 0.184 1.00 0.00 H new ATOM 1315 N CYS A 88 -0.495 -3.925 1.290 1.00 0.00 N ATOM 1316 CA CYS A 88 0.579 -2.996 1.595 1.00 0.00 C ATOM 1317 C CYS A 88 -0.036 -1.620 1.862 1.00 0.00 C ATOM 1318 O CYS A 88 -0.377 -0.896 0.927 1.00 0.00 O ATOM 1319 CB CYS A 88 1.620 -2.947 0.474 1.00 0.00 C ATOM 1320 SG CYS A 88 1.032 -2.196 -1.087 1.00 0.00 S ATOM 0 H CYS A 88 -0.813 -3.906 0.321 1.00 0.00 H new ATOM 0 HA CYS A 88 1.113 -3.333 2.484 1.00 0.00 H new ATOM 0 HB2 CYS A 88 2.486 -2.387 0.826 1.00 0.00 H new ATOM 0 HB3 CYS A 88 1.959 -3.962 0.267 1.00 0.00 H new ATOM 1325 N GLN A 89 -0.162 -1.303 3.142 1.00 0.00 N ATOM 1326 CA GLN A 89 -0.731 -0.027 3.544 1.00 0.00 C ATOM 1327 C GLN A 89 0.376 1.008 3.747 1.00 0.00 C ATOM 1328 O GLN A 89 1.229 0.847 4.619 1.00 0.00 O ATOM 1329 CB GLN A 89 -1.578 -0.180 4.809 1.00 0.00 C ATOM 1330 CG GLN A 89 -2.477 1.042 5.017 1.00 0.00 C ATOM 1331 CD GLN A 89 -2.818 1.225 6.497 1.00 0.00 C ATOM 1332 OE1 GLN A 89 -2.211 2.263 7.067 1.00 0.00 O flip ATOM 1333 NE2 GLN A 89 -3.583 0.475 7.082 1.00 0.00 N flip ATOM 0 H GLN A 89 0.120 -1.907 3.914 1.00 0.00 H new ATOM 0 HA GLN A 89 -1.387 0.324 2.747 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -2.191 -1.078 4.735 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -0.927 -0.309 5.674 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -1.976 1.935 4.642 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -3.395 0.926 4.440 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -4.015 -0.303 6.584 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -3.790 0.627 8.069 1.00 0.00 H new ATOM 1342 N VAL A 90 0.330 2.048 2.929 1.00 0.00 N ATOM 1343 CA VAL A 90 1.320 3.109 3.010 1.00 0.00 C ATOM 1344 C VAL A 90 0.690 4.339 3.668 1.00 0.00 C ATOM 1345 O VAL A 90 -0.440 4.705 3.353 1.00 0.00 O ATOM 1346 CB VAL A 90 1.887 3.402 1.618 1.00 0.00 C ATOM 1347 CG1 VAL A 90 2.404 4.839 1.529 1.00 0.00 C ATOM 1348 CG2 VAL A 90 2.985 2.399 1.253 1.00 0.00 C ATOM 0 H VAL A 90 -0.378 2.179 2.206 1.00 0.00 H new ATOM 0 HA VAL A 90 2.160 2.801 3.632 1.00 0.00 H new ATOM 0 HB VAL A 90 1.079 3.292 0.895 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.801 5.022 0.531 1.00 0.00 H new ATOM 0 HG12 VAL A 90 1.587 5.533 1.727 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.193 4.988 2.266 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.372 2.628 0.260 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.794 2.464 1.981 1.00 0.00 H new ATOM 0 HG23 VAL A 90 2.572 1.390 1.258 1.00 0.00 H new ATOM 1358 N THR A 91 1.452 4.940 4.572 1.00 0.00 N ATOM 1359 CA THR A 91 0.982 6.120 5.278 1.00 0.00 C ATOM 1360 C THR A 91 1.770 7.354 4.834 1.00 0.00 C ATOM 1361 O THR A 91 2.818 7.233 4.202 1.00 0.00 O ATOM 1362 CB THR A 91 1.082 5.841 6.780 1.00 0.00 C ATOM 1363 OG1 THR A 91 -0.210 5.355 7.129 1.00 0.00 O ATOM 1364 CG2 THR A 91 1.231 7.123 7.602 1.00 0.00 C ATOM 0 H THR A 91 2.389 4.632 4.831 1.00 0.00 H new ATOM 0 HA THR A 91 -0.060 6.336 5.042 1.00 0.00 H new ATOM 0 HB THR A 91 1.930 5.184 6.973 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.234 5.147 8.086 1.00 0.00 H new ATOM 0 HG21 THR A 91 1.298 6.871 8.660 1.00 0.00 H new ATOM 0 HG22 THR A 91 2.136 7.648 7.296 1.00 0.00 H new ATOM 0 HG23 THR A 91 0.366 7.764 7.436 1.00 0.00 H new ATOM 1372 N TYR A 92 1.236 8.515 5.185 1.00 0.00 N ATOM 1373 CA TYR A 92 1.875 9.770 4.831 1.00 0.00 C ATOM 1374 C TYR A 92 1.768 10.781 5.974 1.00 0.00 C ATOM 1375 O TYR A 92 0.877 10.681 6.816 1.00 0.00 O ATOM 1376 CB TYR A 92 1.110 10.307 3.619 1.00 0.00 C ATOM 1377 CG TYR A 92 1.188 9.405 2.385 1.00 0.00 C ATOM 1378 CD1 TYR A 92 0.593 8.159 2.404 1.00 0.00 C ATOM 1379 CD2 TYR A 92 1.850 9.836 1.256 1.00 0.00 C ATOM 1380 CE1 TYR A 92 0.665 7.308 1.244 1.00 0.00 C ATOM 1381 CE2 TYR A 92 1.921 8.986 0.094 1.00 0.00 C ATOM 1382 CZ TYR A 92 1.326 7.765 0.147 1.00 0.00 C ATOM 1383 OH TYR A 92 1.394 6.963 -0.949 1.00 0.00 O ATOM 0 H TYR A 92 0.368 8.612 5.711 1.00 0.00 H new ATOM 0 HA TYR A 92 2.934 9.615 4.622 1.00 0.00 H new ATOM 0 HB2 TYR A 92 0.064 10.441 3.893 1.00 0.00 H new ATOM 0 HB3 TYR A 92 1.501 11.291 3.362 1.00 0.00 H new ATOM 0 HD1 TYR A 92 0.073 7.822 3.289 1.00 0.00 H new ATOM 0 HD2 TYR A 92 2.316 10.810 1.242 1.00 0.00 H new ATOM 0 HE1 TYR A 92 0.205 6.331 1.246 1.00 0.00 H new ATOM 0 HE2 TYR A 92 2.435 9.312 -0.798 1.00 0.00 H new ATOM 0 HH TYR A 92 0.488 6.734 -1.243 1.00 0.00 H new ATOM 1393 N GLN A 93 2.691 11.733 5.967 1.00 0.00 N ATOM 1394 CA GLN A 93 2.711 12.762 6.995 1.00 0.00 C ATOM 1395 C GLN A 93 1.312 13.349 7.186 1.00 0.00 C ATOM 1396 O GLN A 93 0.993 13.871 8.254 1.00 0.00 O ATOM 1397 CB GLN A 93 3.724 13.858 6.654 1.00 0.00 C ATOM 1398 CG GLN A 93 4.958 13.268 5.969 1.00 0.00 C ATOM 1399 CD GLN A 93 6.225 14.026 6.373 1.00 0.00 C ATOM 1400 OE1 GLN A 93 6.619 15.001 5.758 1.00 0.00 O ATOM 1401 NE2 GLN A 93 6.836 13.523 7.441 1.00 0.00 N ATOM 0 H GLN A 93 3.429 11.814 5.267 1.00 0.00 H new ATOM 0 HA GLN A 93 3.023 12.304 7.934 1.00 0.00 H new ATOM 0 HB2 GLN A 93 3.260 14.597 6.001 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.022 14.379 7.564 1.00 0.00 H new ATOM 0 HG2 GLN A 93 5.059 12.216 6.236 1.00 0.00 H new ATOM 0 HG3 GLN A 93 4.833 13.312 4.887 1.00 0.00 H new ATOM 0 HE21 GLN A 93 6.451 12.703 7.909 1.00 0.00 H new ATOM 0 HE22 GLN A 93 7.689 13.957 7.792 1.00 0.00 H new ATOM 1410 N GLY A 94 0.511 13.245 6.134 1.00 0.00 N ATOM 1411 CA GLY A 94 -0.846 13.760 6.173 1.00 0.00 C ATOM 1412 C GLY A 94 -1.729 13.056 5.140 1.00 0.00 C ATOM 1413 O GLY A 94 -2.610 13.674 4.547 1.00 0.00 O ATOM 0 H GLY A 94 0.777 12.811 5.250 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -1.264 13.620 7.170 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -0.838 14.833 5.979 1.00 0.00 H new ATOM 1417 N HIS A 95 -1.462 11.769 4.961 1.00 0.00 N ATOM 1418 CA HIS A 95 -2.221 10.974 4.011 1.00 0.00 C ATOM 1419 C HIS A 95 -2.035 9.487 4.322 1.00 0.00 C ATOM 1420 O HIS A 95 -1.304 9.129 5.245 1.00 0.00 O ATOM 1421 CB HIS A 95 -1.838 11.332 2.574 1.00 0.00 C ATOM 1422 CG HIS A 95 -2.987 11.262 1.596 1.00 0.00 C ATOM 1423 ND1 HIS A 95 -2.997 10.403 0.511 1.00 0.00 N ATOM 1424 CD2 HIS A 95 -4.162 11.954 1.552 1.00 0.00 C ATOM 1425 CE1 HIS A 95 -4.133 10.578 -0.150 1.00 0.00 C ATOM 1426 NE2 HIS A 95 -4.851 11.539 0.496 1.00 0.00 N ATOM 0 H HIS A 95 -0.732 11.259 5.457 1.00 0.00 H new ATOM 0 HA HIS A 95 -3.283 11.200 4.109 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -1.423 12.340 2.560 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -1.049 10.658 2.241 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -2.257 9.747 0.262 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -4.478 12.710 2.256 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -4.436 10.052 -1.043 1.00 0.00 H new ATOM 1434 N THR A 96 -2.708 8.663 3.536 1.00 0.00 N ATOM 1435 CA THR A 96 -2.628 7.223 3.715 1.00 0.00 C ATOM 1436 C THR A 96 -3.044 6.501 2.432 1.00 0.00 C ATOM 1437 O THR A 96 -3.605 7.114 1.525 1.00 0.00 O ATOM 1438 CB THR A 96 -3.481 6.848 4.927 1.00 0.00 C ATOM 1439 OG1 THR A 96 -3.058 5.529 5.257 1.00 0.00 O ATOM 1440 CG2 THR A 96 -4.962 6.689 4.576 1.00 0.00 C ATOM 0 H THR A 96 -3.313 8.964 2.772 1.00 0.00 H new ATOM 0 HA THR A 96 -1.604 6.906 3.911 1.00 0.00 H new ATOM 0 HB THR A 96 -3.371 7.612 5.696 1.00 0.00 H new ATOM 0 HG1 THR A 96 -3.561 5.209 6.035 1.00 0.00 H new ATOM 0 HG21 THR A 96 -5.522 6.423 5.473 1.00 0.00 H new ATOM 0 HG22 THR A 96 -5.344 7.628 4.175 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.077 5.903 3.830 1.00 0.00 H new ATOM 1448 N PHE A 97 -2.754 5.208 2.398 1.00 0.00 N ATOM 1449 CA PHE A 97 -3.092 4.396 1.242 1.00 0.00 C ATOM 1450 C PHE A 97 -3.064 2.907 1.590 1.00 0.00 C ATOM 1451 O PHE A 97 -2.475 2.511 2.595 1.00 0.00 O ATOM 1452 CB PHE A 97 -2.033 4.677 0.172 1.00 0.00 C ATOM 1453 CG PHE A 97 -2.448 5.736 -0.850 1.00 0.00 C ATOM 1454 CD1 PHE A 97 -3.226 5.389 -1.911 1.00 0.00 C ATOM 1455 CD2 PHE A 97 -2.040 7.024 -0.700 1.00 0.00 C ATOM 1456 CE1 PHE A 97 -3.612 6.371 -2.862 1.00 0.00 C ATOM 1457 CE2 PHE A 97 -2.424 8.007 -1.649 1.00 0.00 C ATOM 1458 CZ PHE A 97 -3.203 7.660 -2.710 1.00 0.00 C ATOM 0 H PHE A 97 -2.289 4.703 3.153 1.00 0.00 H new ATOM 0 HA PHE A 97 -4.096 4.642 0.896 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -1.114 4.999 0.661 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -1.806 3.749 -0.353 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -3.550 4.366 -2.030 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -1.423 7.300 0.142 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -4.229 6.095 -3.704 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.098 9.030 -1.529 1.00 0.00 H new ATOM 0 HZ PHE A 97 -3.497 8.408 -3.432 1.00 0.00 H new ATOM 1468 N GLU A 98 -3.707 2.120 0.741 1.00 0.00 N ATOM 1469 CA GLU A 98 -3.764 0.683 0.947 1.00 0.00 C ATOM 1470 C GLU A 98 -4.086 -0.029 -0.368 1.00 0.00 C ATOM 1471 O GLU A 98 -5.173 0.141 -0.920 1.00 0.00 O ATOM 1472 CB GLU A 98 -4.784 0.324 2.029 1.00 0.00 C ATOM 1473 CG GLU A 98 -4.307 -0.873 2.856 1.00 0.00 C ATOM 1474 CD GLU A 98 -5.188 -1.071 4.091 1.00 0.00 C ATOM 1475 OE1 GLU A 98 -4.913 -0.485 5.150 1.00 0.00 O ATOM 1476 OE2 GLU A 98 -6.189 -1.867 3.926 1.00 0.00 O ATOM 0 H GLU A 98 -4.194 2.451 -0.092 1.00 0.00 H new ATOM 0 HA GLU A 98 -2.786 0.346 1.290 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -4.944 1.182 2.682 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.744 0.092 1.567 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -4.326 -1.774 2.243 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -3.273 -0.718 3.163 1.00 0.00 H new ATOM 1484 N ASP A 99 -3.125 -0.812 -0.833 1.00 0.00 N ATOM 1485 CA ASP A 99 -3.291 -1.550 -2.072 1.00 0.00 C ATOM 1486 C ASP A 99 -2.597 -2.909 -1.950 1.00 0.00 C ATOM 1487 O ASP A 99 -1.410 -2.978 -1.635 1.00 0.00 O ATOM 1488 CB ASP A 99 -2.663 -0.803 -3.249 1.00 0.00 C ATOM 1489 CG ASP A 99 -3.475 0.384 -3.769 1.00 0.00 C ATOM 1490 OD1 ASP A 99 -3.951 1.221 -2.989 1.00 0.00 O ATOM 1491 OD2 ASP A 99 -3.611 0.431 -5.050 1.00 0.00 O ATOM 0 H ASP A 99 -2.226 -0.952 -0.372 1.00 0.00 H new ATOM 0 HA ASP A 99 -4.360 -1.669 -2.250 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -1.678 -0.446 -2.949 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -2.512 -1.507 -4.067 1.00 0.00 H new ATOM 1497 N SER A 100 -3.368 -3.957 -2.204 1.00 0.00 N ATOM 1498 CA SER A 100 -2.841 -5.308 -2.126 1.00 0.00 C ATOM 1499 C SER A 100 -3.886 -6.307 -2.629 1.00 0.00 C ATOM 1500 O SER A 100 -4.718 -5.969 -3.469 1.00 0.00 O ATOM 1501 CB SER A 100 -2.421 -5.656 -0.697 1.00 0.00 C ATOM 1502 OG SER A 100 -1.262 -6.484 -0.666 1.00 0.00 O ATOM 0 H SER A 100 -4.353 -3.897 -2.464 1.00 0.00 H new ATOM 0 HA SER A 100 -1.956 -5.366 -2.760 1.00 0.00 H new ATOM 0 HB2 SER A 100 -2.225 -4.738 -0.143 1.00 0.00 H new ATOM 0 HB3 SER A 100 -3.242 -6.164 -0.192 1.00 0.00 H new ATOM 0 HG SER A 100 -1.533 -7.424 -0.608 1.00 0.00 H new ATOM 1508 N THR A 101 -3.810 -7.516 -2.093 1.00 0.00 N ATOM 1509 CA THR A 101 -4.738 -8.566 -2.478 1.00 0.00 C ATOM 1510 C THR A 101 -5.196 -9.351 -1.247 1.00 0.00 C ATOM 1511 O THR A 101 -4.782 -9.052 -0.128 1.00 0.00 O ATOM 1512 CB THR A 101 -4.056 -9.437 -3.534 1.00 0.00 C ATOM 1513 OG1 THR A 101 -4.970 -10.511 -3.741 1.00 0.00 O ATOM 1514 CG2 THR A 101 -2.794 -10.121 -3.005 1.00 0.00 C ATOM 0 H THR A 101 -3.120 -7.792 -1.395 1.00 0.00 H new ATOM 0 HA THR A 101 -5.645 -8.150 -2.916 1.00 0.00 H new ATOM 0 HB THR A 101 -3.801 -8.824 -4.399 1.00 0.00 H new ATOM 0 HG1 THR A 101 -4.607 -11.124 -4.414 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.350 -10.726 -3.795 1.00 0.00 H new ATOM 0 HG22 THR A 101 -2.079 -9.365 -2.682 1.00 0.00 H new ATOM 0 HG23 THR A 101 -3.053 -10.760 -2.161 1.00 0.00 H new ATOM 1522 N LYS A 102 -6.044 -10.337 -1.496 1.00 0.00 N ATOM 1523 CA LYS A 102 -6.562 -11.166 -0.422 1.00 0.00 C ATOM 1524 C LYS A 102 -7.230 -12.407 -1.018 1.00 0.00 C ATOM 1525 O LYS A 102 -7.902 -12.322 -2.045 1.00 0.00 O ATOM 1526 CB LYS A 102 -7.483 -10.350 0.489 1.00 0.00 C ATOM 1527 CG LYS A 102 -8.511 -9.568 -0.329 1.00 0.00 C ATOM 1528 CD LYS A 102 -8.385 -8.064 -0.078 1.00 0.00 C ATOM 1529 CE LYS A 102 -9.628 -7.320 -0.570 1.00 0.00 C ATOM 1530 NZ LYS A 102 -10.455 -6.877 0.575 1.00 0.00 N ATOM 0 H LYS A 102 -6.385 -10.581 -2.426 1.00 0.00 H new ATOM 0 HA LYS A 102 -5.749 -11.515 0.215 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -7.996 -11.015 1.183 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -6.889 -9.660 1.088 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -8.371 -9.776 -1.390 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.516 -9.900 -0.069 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -8.244 -7.880 0.987 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -7.501 -7.679 -0.587 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -9.330 -6.457 -1.166 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -10.214 -7.970 -1.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -11.294 -6.374 0.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -10.754 -7.705 1.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -9.898 -6.240 1.180 1.00 0.00 H new ATOM 1544 N LYS A 103 -7.025 -13.531 -0.345 1.00 0.00 N ATOM 1545 CA LYS A 103 -7.599 -14.788 -0.795 1.00 0.00 C ATOM 1546 C LYS A 103 -7.858 -15.689 0.414 1.00 0.00 C ATOM 1547 O LYS A 103 -7.376 -15.412 1.512 1.00 0.00 O ATOM 1548 CB LYS A 103 -6.709 -15.431 -1.862 1.00 0.00 C ATOM 1549 CG LYS A 103 -6.503 -16.921 -1.579 1.00 0.00 C ATOM 1550 CD LYS A 103 -5.417 -17.505 -2.484 1.00 0.00 C ATOM 1551 CE LYS A 103 -5.939 -17.697 -3.910 1.00 0.00 C ATOM 1552 NZ LYS A 103 -5.336 -18.902 -4.524 1.00 0.00 N ATOM 0 H LYS A 103 -6.470 -13.597 0.508 1.00 0.00 H new ATOM 0 HA LYS A 103 -8.562 -14.616 -1.276 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -7.163 -15.303 -2.845 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -5.744 -14.925 -1.889 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -6.225 -17.062 -0.534 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -7.439 -17.457 -1.735 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -4.552 -16.842 -2.495 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -5.080 -18.461 -2.084 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -7.025 -17.793 -3.897 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -5.704 -16.819 -4.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -6.053 -19.398 -5.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -4.544 -18.620 -5.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -4.987 -19.535 -3.776 1.00 0.00 H new ATOM 1566 N SER A 104 -8.617 -16.745 0.172 1.00 0.00 N ATOM 1567 CA SER A 104 -8.945 -17.688 1.227 1.00 0.00 C ATOM 1568 C SER A 104 -8.892 -19.119 0.686 1.00 0.00 C ATOM 1569 O SER A 104 -9.753 -19.938 1.005 1.00 0.00 O ATOM 1570 CB SER A 104 -10.327 -17.395 1.818 1.00 0.00 C ATOM 1571 OG SER A 104 -10.506 -18.017 3.088 1.00 0.00 O ATOM 0 H SER A 104 -9.015 -16.970 -0.740 1.00 0.00 H new ATOM 0 HA SER A 104 -8.208 -17.580 2.023 1.00 0.00 H new ATOM 0 HB2 SER A 104 -10.457 -16.318 1.920 1.00 0.00 H new ATOM 0 HB3 SER A 104 -11.097 -17.745 1.131 1.00 0.00 H new ATOM 0 HG SER A 104 -10.340 -18.979 3.007 1.00 0.00 H new ATOM 1577 N ALA A 105 -7.873 -19.375 -0.119 1.00 0.00 N ATOM 1578 CA ALA A 105 -7.696 -20.693 -0.705 1.00 0.00 C ATOM 1579 C ALA A 105 -7.275 -21.680 0.384 1.00 0.00 C ATOM 1580 O ALA A 105 -6.684 -22.719 0.091 1.00 0.00 O ATOM 1581 CB ALA A 105 -6.677 -20.610 -1.845 1.00 0.00 C ATOM 0 H ALA A 105 -7.161 -18.693 -0.380 1.00 0.00 H new ATOM 0 HA ALA A 105 -8.633 -21.054 -1.129 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -6.543 -21.598 -2.286 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -7.038 -19.919 -2.606 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -5.723 -20.254 -1.455 1.00 0.00 H new TER 1588 ALA A 105