USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 667 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 62 THR OG1 : rot -29:sc= 1.4 USER MOD Set 1.2: A 81 CYS SG : rot -75:sc= -1.84! USER MOD Set 2.1: A 48 ASN : amide:sc= -1.32 K(o=-7.5,f=-4.4) USER MOD Set 2.2: A 73 ASN : amide:sc= -6.14! C(o=-7.5!,f=-4.4!) USER MOD Set 3.1: A 59 CYS SG : rot -160:sc= -6.2! USER MOD Set 3.2: A 79 CYS SG : rot 84:sc= -2.19 USER MOD Set 4.1: A 52 CYS SG : rot 107:sc= -0.144! USER MOD Set 4.2: A 56 ASN : amide:sc= -2.7 K(o=-0.9,f=-2.5!) USER MOD Set 4.3: A 65 CYS SG : rot -132:sc= 1.95 USER MOD Set 5.1: A 51 THR OG1 : rot -70:sc= 0.142 USER MOD Set 5.2: A 67 ASN : amide:sc= -1.25 K(o=-1.1,f=-4!) USER MOD Set 6.1: A 32 CYS SG : rot 170:sc= 0.593 USER MOD Set 6.2: A 44 CYS SG : rot -73:sc= -5.86! USER MOD Set 6.3: A 55 ASN : amide:sc= -1.71! X(o=-7!,f=-7) USER MOD Set 7.1: A 8 CYS SG : rot 170:sc= 0.239 USER MOD Set 7.2: A 20 CYS SG : rot 1:sc= 1.54 USER MOD Set 7.3: A 89 TYR OH : rot -42:sc= 0.781 USER MOD Single : A 5 LYS NZ :NH3+ 140:sc= 1.05 (180deg=-0.218!) USER MOD Single : A 6 HIS : no HE2:sc= -4.08! K(o=-4.1!,f=-5.8) USER MOD Single : A 11 THR OG1 : rot 22:sc= 0.518 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.9! K(o=-0.9!,f=-1.5) USER MOD Single : A 27 THR OG1 : rot 103:sc= 1.27 USER MOD Single : A 28 LYS NZ :NH3+ 151:sc= 1.21 (180deg=1.13) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 157:sc= -0.112 (180deg=-0.478) USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 43 THR OG1 : rot -132:sc= -2.27! USER MOD Single : A 47 ASN : amide:sc= -2.63! C(o=-2.6!,f=-4!) USER MOD Single : A 49 ASN : amide:sc= 0.0292 X(o=0.029,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -1.15 K(o=-1.2,f=-0.22) USER MOD Single : A 70 SER OG : rot 19:sc= 0.645 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.132 USER MOD Single : A 74 SER OG : rot 11:sc= -0.649! USER MOD Single : A 75 LYS NZ :NH3+ 171:sc= 1.03 (180deg=0.721) USER MOD Single : A 76 LYS NZ :NH3+ -127:sc= 0.272 (180deg=-0.351) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.102) USER MOD Single : A 85 THR OG1 : rot 19:sc= 1.27 USER MOD Single : A 87 ASN : amide:sc= -2.51! K(o=-2.5!,f=-1.8) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 CYS SG : rot -80:sc= 1.12 USER MOD Single : A 96 SER OG : rot 148:sc= 1.36 USER MOD Single : A 97 SER OG : rot -62:sc= 0.254 USER MOD ----------------------------------------------------------------- ATOM 26 N ASP A 3 -11.029 -8.354 3.879 1.00 0.00 N ATOM 27 CA ASP A 3 -11.635 -8.546 2.574 1.00 0.00 C ATOM 28 C ASP A 3 -11.540 -7.253 1.803 1.00 0.00 C ATOM 29 O ASP A 3 -12.365 -6.381 1.995 1.00 0.00 O ATOM 30 CB ASP A 3 -13.110 -8.907 2.687 1.00 0.00 C ATOM 31 CG ASP A 3 -13.433 -10.266 2.114 1.00 0.00 C ATOM 32 OD1 ASP A 3 -13.566 -10.367 0.878 1.00 0.00 O ATOM 33 OD2 ASP A 3 -13.571 -11.225 2.897 1.00 0.00 O ATOM 0 HA ASP A 3 -11.108 -9.359 2.075 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -13.405 -8.882 3.736 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -13.703 -8.152 2.172 1.00 0.00 H new ATOM 38 N PRO A 4 -10.525 -7.128 0.944 1.00 0.00 N ATOM 39 CA PRO A 4 -10.258 -5.970 0.067 1.00 0.00 C ATOM 40 C PRO A 4 -11.456 -5.238 -0.545 1.00 0.00 C ATOM 41 O PRO A 4 -11.268 -4.168 -1.082 1.00 0.00 O ATOM 42 CB PRO A 4 -9.465 -6.639 -1.048 1.00 0.00 C ATOM 43 CG PRO A 4 -8.675 -7.694 -0.381 1.00 0.00 C ATOM 44 CD PRO A 4 -9.419 -8.089 0.859 1.00 0.00 C ATOM 0 HA PRO A 4 -9.785 -5.174 0.642 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.127 -7.061 -1.804 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -8.818 -5.923 -1.555 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -8.544 -8.552 -1.041 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -7.679 -7.329 -0.132 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -9.787 -9.113 0.792 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -8.779 -8.037 1.740 1.00 0.00 H new ATOM 52 N LYS A 5 -12.647 -5.790 -0.435 1.00 0.00 N ATOM 53 CA LYS A 5 -13.925 -5.175 -0.868 1.00 0.00 C ATOM 54 C LYS A 5 -14.146 -3.683 -0.557 1.00 0.00 C ATOM 55 O LYS A 5 -15.214 -3.135 -0.806 1.00 0.00 O ATOM 56 CB LYS A 5 -15.006 -5.928 -0.191 1.00 0.00 C ATOM 57 CG LYS A 5 -15.266 -7.198 -0.885 1.00 0.00 C ATOM 58 CD LYS A 5 -16.143 -8.080 -0.046 1.00 0.00 C ATOM 59 CE LYS A 5 -16.508 -9.372 -0.756 1.00 0.00 C ATOM 60 NZ LYS A 5 -15.315 -10.222 -1.023 1.00 0.00 N ATOM 0 H LYS A 5 -12.777 -6.716 -0.028 1.00 0.00 H new ATOM 0 HA LYS A 5 -13.912 -5.227 -1.957 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -14.727 -6.124 0.844 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.915 -5.327 -0.168 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -15.745 -7.004 -1.845 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -14.324 -7.705 -1.096 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -15.633 -8.313 0.888 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -17.054 -7.541 0.214 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -17.221 -9.930 -0.149 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -17.005 -9.139 -1.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -15.554 -11.220 -0.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -15.017 -10.102 -2.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -14.539 -9.939 -0.391 1.00 0.00 H new ATOM 74 N HIS A 6 -13.145 -3.065 -0.028 1.00 0.00 N ATOM 75 CA HIS A 6 -13.164 -1.695 0.440 1.00 0.00 C ATOM 76 C HIS A 6 -12.917 -0.750 -0.726 1.00 0.00 C ATOM 77 O HIS A 6 -12.344 0.320 -0.563 1.00 0.00 O ATOM 78 CB HIS A 6 -12.070 -1.516 1.482 1.00 0.00 C ATOM 79 CG HIS A 6 -12.037 -2.552 2.549 1.00 0.00 C ATOM 80 ND1 HIS A 6 -11.244 -2.452 3.664 1.00 0.00 N ATOM 81 CD2 HIS A 6 -12.654 -3.745 2.634 1.00 0.00 C ATOM 82 CE1 HIS A 6 -11.374 -3.538 4.383 1.00 0.00 C ATOM 83 NE2 HIS A 6 -12.234 -4.339 3.792 1.00 0.00 N ATOM 0 H HIS A 6 -12.238 -3.513 0.102 1.00 0.00 H new ATOM 0 HA HIS A 6 -14.136 -1.470 0.880 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -11.105 -1.508 0.975 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -12.192 -0.539 1.950 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -10.648 -1.658 3.896 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -13.352 -4.157 1.920 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -10.859 -3.743 5.310 1.00 0.00 H new ATOM 92 N VAL A 7 -13.321 -1.198 -1.904 1.00 0.00 N ATOM 93 CA VAL A 7 -13.149 -0.462 -3.150 1.00 0.00 C ATOM 94 C VAL A 7 -13.361 1.047 -2.981 1.00 0.00 C ATOM 95 O VAL A 7 -14.284 1.493 -2.291 1.00 0.00 O ATOM 96 CB VAL A 7 -14.101 -1.041 -4.203 1.00 0.00 C ATOM 97 CG1 VAL A 7 -15.397 -1.415 -3.530 1.00 0.00 C ATOM 98 CG2 VAL A 7 -14.342 -0.074 -5.340 1.00 0.00 C ATOM 0 H VAL A 7 -13.786 -2.098 -2.025 1.00 0.00 H new ATOM 0 HA VAL A 7 -12.116 -0.582 -3.478 1.00 0.00 H new ATOM 0 HB VAL A 7 -13.642 -1.927 -4.642 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -16.084 -1.829 -4.268 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -15.204 -2.159 -2.757 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -15.841 -0.528 -3.078 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -15.022 -0.525 -6.063 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -14.783 0.843 -4.950 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -13.395 0.157 -5.828 1.00 0.00 H new ATOM 108 N CYS A 8 -12.516 1.820 -3.645 1.00 0.00 N ATOM 109 CA CYS A 8 -12.396 3.237 -3.371 1.00 0.00 C ATOM 110 C CYS A 8 -13.126 4.076 -4.407 1.00 0.00 C ATOM 111 O CYS A 8 -13.343 3.650 -5.542 1.00 0.00 O ATOM 112 CB CYS A 8 -10.917 3.609 -3.346 1.00 0.00 C ATOM 113 SG CYS A 8 -10.073 3.391 -4.932 1.00 0.00 S ATOM 0 H CYS A 8 -11.899 1.482 -4.384 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.856 3.443 -2.405 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -10.820 4.649 -3.035 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -10.414 3.003 -2.593 1.00 0.00 H new ATOM 0 HG CYS A 8 -8.893 3.934 -4.874 1.00 0.00 H new ATOM 119 N VAL A 9 -13.509 5.276 -3.991 1.00 0.00 N ATOM 120 CA VAL A 9 -14.271 6.176 -4.833 1.00 0.00 C ATOM 121 C VAL A 9 -13.529 7.496 -5.029 1.00 0.00 C ATOM 122 O VAL A 9 -13.109 7.828 -6.133 1.00 0.00 O ATOM 123 CB VAL A 9 -15.662 6.464 -4.222 1.00 0.00 C ATOM 124 CG1 VAL A 9 -16.464 7.414 -5.101 1.00 0.00 C ATOM 125 CG2 VAL A 9 -16.429 5.171 -3.996 1.00 0.00 C ATOM 0 H VAL A 9 -13.299 5.647 -3.064 1.00 0.00 H new ATOM 0 HA VAL A 9 -14.399 5.687 -5.799 1.00 0.00 H new ATOM 0 HB VAL A 9 -15.508 6.947 -3.257 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -17.437 7.597 -4.645 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -15.927 8.357 -5.202 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -16.603 6.968 -6.086 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -17.405 5.397 -3.566 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -16.563 4.656 -4.947 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -15.870 4.531 -3.313 1.00 0.00 H new ATOM 135 N ASP A 10 -13.359 8.236 -3.939 1.00 0.00 N ATOM 136 CA ASP A 10 -12.752 9.565 -3.993 1.00 0.00 C ATOM 137 C ASP A 10 -11.233 9.478 -3.953 1.00 0.00 C ATOM 138 O ASP A 10 -10.569 9.736 -4.956 1.00 0.00 O ATOM 139 CB ASP A 10 -13.255 10.411 -2.822 1.00 0.00 C ATOM 140 CG ASP A 10 -12.624 11.785 -2.774 1.00 0.00 C ATOM 141 OD1 ASP A 10 -13.167 12.721 -3.394 1.00 0.00 O ATOM 142 OD2 ASP A 10 -11.587 11.932 -2.098 1.00 0.00 O ATOM 0 H ASP A 10 -13.634 7.938 -3.003 1.00 0.00 H new ATOM 0 HA ASP A 10 -13.040 10.034 -4.934 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -14.337 10.516 -2.895 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -13.048 9.889 -1.888 1.00 0.00 H new ATOM 147 N THR A 11 -10.694 9.117 -2.792 1.00 0.00 N ATOM 148 CA THR A 11 -9.248 8.970 -2.595 1.00 0.00 C ATOM 149 C THR A 11 -8.467 10.212 -3.030 1.00 0.00 C ATOM 150 O THR A 11 -7.345 10.114 -3.522 1.00 0.00 O ATOM 151 CB THR A 11 -8.705 7.701 -3.292 1.00 0.00 C ATOM 152 OG1 THR A 11 -9.112 7.642 -4.668 1.00 0.00 O ATOM 153 CG2 THR A 11 -9.198 6.462 -2.563 1.00 0.00 C ATOM 0 H THR A 11 -11.245 8.917 -1.957 1.00 0.00 H new ATOM 0 HA THR A 11 -9.095 8.857 -1.522 1.00 0.00 H new ATOM 0 HB THR A 11 -7.616 7.742 -3.261 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.337 8.543 -4.981 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.812 5.571 -3.058 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.848 6.484 -1.531 1.00 0.00 H new ATOM 0 HG23 THR A 11 -10.288 6.442 -2.576 1.00 0.00 H new ATOM 161 N ARG A 12 -9.068 11.385 -2.847 1.00 0.00 N ATOM 162 CA ARG A 12 -8.369 12.640 -3.086 1.00 0.00 C ATOM 163 C ARG A 12 -7.636 13.086 -1.826 1.00 0.00 C ATOM 164 O ARG A 12 -6.870 14.048 -1.838 1.00 0.00 O ATOM 165 CB ARG A 12 -9.324 13.706 -3.583 1.00 0.00 C ATOM 166 CG ARG A 12 -9.929 13.316 -4.909 1.00 0.00 C ATOM 167 CD ARG A 12 -10.781 14.420 -5.498 1.00 0.00 C ATOM 168 NE ARG A 12 -9.961 15.533 -5.979 1.00 0.00 N ATOM 169 CZ ARG A 12 -9.820 15.853 -7.265 1.00 0.00 C ATOM 170 NH1 ARG A 12 -10.474 15.173 -8.198 1.00 0.00 N ATOM 171 NH2 ARG A 12 -9.020 16.847 -7.619 1.00 0.00 N ATOM 0 H ARG A 12 -10.033 11.490 -2.535 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.626 12.481 -3.868 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -10.116 13.860 -2.850 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.795 14.654 -3.685 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -9.133 13.062 -5.609 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.537 12.421 -4.779 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -11.375 14.023 -6.321 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -11.481 14.782 -4.745 1.00 0.00 H new ATOM 0 HE ARG A 12 -9.468 16.098 -5.288 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -11.087 14.403 -7.932 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.364 15.421 -9.181 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.510 17.370 -6.907 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -8.914 17.090 -8.604 1.00 0.00 H new ATOM 185 N ASP A 13 -7.885 12.360 -0.738 1.00 0.00 N ATOM 186 CA ASP A 13 -7.122 12.526 0.504 1.00 0.00 C ATOM 187 C ASP A 13 -5.737 11.943 0.302 1.00 0.00 C ATOM 188 O ASP A 13 -4.793 12.236 1.037 1.00 0.00 O ATOM 189 CB ASP A 13 -7.779 11.756 1.660 1.00 0.00 C ATOM 190 CG ASP A 13 -9.159 12.251 2.037 1.00 0.00 C ATOM 191 OD1 ASP A 13 -10.105 12.067 1.242 1.00 0.00 O ATOM 192 OD2 ASP A 13 -9.309 12.801 3.145 1.00 0.00 O ATOM 0 H ASP A 13 -8.612 11.647 -0.689 1.00 0.00 H new ATOM 0 HA ASP A 13 -7.086 13.588 0.746 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.846 10.703 1.387 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.132 11.818 2.535 1.00 0.00 H new ATOM 197 N ILE A 14 -5.654 11.113 -0.721 1.00 0.00 N ATOM 198 CA ILE A 14 -4.493 10.283 -0.989 1.00 0.00 C ATOM 199 C ILE A 14 -3.361 11.099 -1.635 1.00 0.00 C ATOM 200 O ILE A 14 -3.503 11.624 -2.743 1.00 0.00 O ATOM 201 CB ILE A 14 -4.913 9.087 -1.889 1.00 0.00 C ATOM 202 CG1 ILE A 14 -5.677 8.004 -1.091 1.00 0.00 C ATOM 203 CG2 ILE A 14 -3.703 8.462 -2.569 1.00 0.00 C ATOM 204 CD1 ILE A 14 -6.764 8.507 -0.156 1.00 0.00 C ATOM 0 H ILE A 14 -6.405 10.994 -1.401 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.107 9.897 -0.046 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.583 9.488 -2.649 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.128 7.309 -1.800 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.955 7.436 -0.504 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.026 7.628 -3.192 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.209 9.209 -3.190 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.007 8.101 -1.812 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -7.230 7.661 0.349 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.326 9.175 0.585 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.517 9.046 -0.730 1.00 0.00 H new ATOM 216 N PRO A 15 -2.234 11.232 -0.906 1.00 0.00 N ATOM 217 CA PRO A 15 -1.046 11.996 -1.340 1.00 0.00 C ATOM 218 C PRO A 15 -0.337 11.414 -2.559 1.00 0.00 C ATOM 219 O PRO A 15 -0.740 10.386 -3.106 1.00 0.00 O ATOM 220 CB PRO A 15 -0.104 11.915 -0.140 1.00 0.00 C ATOM 221 CG PRO A 15 -0.947 11.501 1.006 1.00 0.00 C ATOM 222 CD PRO A 15 -2.049 10.670 0.436 1.00 0.00 C ATOM 0 HA PRO A 15 -1.340 13.003 -1.636 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.695 11.196 -0.318 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.370 12.878 0.051 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.365 10.931 1.731 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.346 12.370 1.529 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.778 9.615 0.397 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.958 10.744 1.032 1.00 0.00 H new ATOM 230 N LYS A 16 0.740 12.079 -2.972 1.00 0.00 N ATOM 231 CA LYS A 16 1.558 11.594 -4.076 1.00 0.00 C ATOM 232 C LYS A 16 2.360 10.375 -3.647 1.00 0.00 C ATOM 233 O LYS A 16 2.581 10.149 -2.454 1.00 0.00 O ATOM 234 CB LYS A 16 2.527 12.664 -4.579 1.00 0.00 C ATOM 235 CG LYS A 16 3.877 12.608 -3.902 1.00 0.00 C ATOM 236 CD LYS A 16 4.859 13.589 -4.509 1.00 0.00 C ATOM 237 CE LYS A 16 5.081 13.315 -5.987 1.00 0.00 C ATOM 238 NZ LYS A 16 6.183 14.137 -6.549 1.00 0.00 N ATOM 0 H LYS A 16 1.064 12.953 -2.558 1.00 0.00 H new ATOM 0 HA LYS A 16 0.876 11.331 -4.884 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.662 12.547 -5.654 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.087 13.648 -4.418 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.759 12.824 -2.840 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.279 11.598 -3.979 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.487 14.605 -4.379 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.810 13.527 -3.980 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.309 12.259 -6.129 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.161 13.519 -6.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.299 13.918 -7.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.955 15.146 -6.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.067 13.924 -6.044 1.00 0.00 H new ATOM 252 N ASN A 17 2.824 9.629 -4.648 1.00 0.00 N ATOM 253 CA ASN A 17 3.570 8.373 -4.450 1.00 0.00 C ATOM 254 C ASN A 17 2.819 7.410 -3.533 1.00 0.00 C ATOM 255 O ASN A 17 3.370 6.409 -3.054 1.00 0.00 O ATOM 256 CB ASN A 17 4.953 8.674 -3.881 1.00 0.00 C ATOM 257 CG ASN A 17 5.736 9.625 -4.763 1.00 0.00 C ATOM 258 OD1 ASN A 17 5.747 9.495 -5.988 1.00 0.00 O ATOM 259 ND2 ASN A 17 6.341 10.627 -4.152 1.00 0.00 N ATOM 0 H ASN A 17 2.695 9.875 -5.629 1.00 0.00 H new ATOM 0 HA ASN A 17 3.675 7.889 -5.421 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.849 9.106 -2.885 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.509 7.743 -3.769 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.841 11.329 -4.697 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.308 10.699 -3.135 1.00 0.00 H new ATOM 266 N ALA A 18 1.561 7.719 -3.299 1.00 0.00 N ATOM 267 CA ALA A 18 0.722 6.933 -2.435 1.00 0.00 C ATOM 268 C ALA A 18 -0.392 6.309 -3.242 1.00 0.00 C ATOM 269 O ALA A 18 -1.008 6.964 -4.083 1.00 0.00 O ATOM 270 CB ALA A 18 0.150 7.805 -1.317 1.00 0.00 C ATOM 0 H ALA A 18 1.094 8.528 -3.708 1.00 0.00 H new ATOM 0 HA ALA A 18 1.317 6.141 -1.980 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.483 7.198 -0.670 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.966 8.228 -0.732 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.442 8.611 -1.751 1.00 0.00 H new ATOM 276 N GLY A 19 -0.627 5.041 -2.999 1.00 0.00 N ATOM 277 CA GLY A 19 -1.722 4.363 -3.644 1.00 0.00 C ATOM 278 C GLY A 19 -3.026 4.716 -2.971 1.00 0.00 C ATOM 279 O GLY A 19 -3.025 5.154 -1.818 1.00 0.00 O ATOM 0 H GLY A 19 -0.078 4.463 -2.363 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.761 4.641 -4.697 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.565 3.285 -3.605 1.00 0.00 H new ATOM 283 N CYS A 20 -4.132 4.548 -3.660 1.00 0.00 N ATOM 284 CA CYS A 20 -5.399 4.951 -3.106 1.00 0.00 C ATOM 285 C CYS A 20 -6.192 3.748 -2.609 1.00 0.00 C ATOM 286 O CYS A 20 -6.171 2.680 -3.218 1.00 0.00 O ATOM 287 CB CYS A 20 -6.194 5.731 -4.146 1.00 0.00 C ATOM 288 SG CYS A 20 -6.604 4.788 -5.630 1.00 0.00 S ATOM 0 H CYS A 20 -4.178 4.140 -4.594 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.211 5.596 -2.248 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.118 6.086 -3.689 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -5.623 6.613 -4.436 1.00 0.00 H new ATOM 0 HG CYS A 20 -6.137 3.580 -5.519 1.00 0.00 H new ATOM 294 N PHE A 21 -6.870 3.929 -1.488 1.00 0.00 N ATOM 295 CA PHE A 21 -7.670 2.877 -0.893 1.00 0.00 C ATOM 296 C PHE A 21 -8.797 3.504 -0.079 1.00 0.00 C ATOM 297 O PHE A 21 -8.712 4.655 0.316 1.00 0.00 O ATOM 298 CB PHE A 21 -6.778 1.988 -0.013 1.00 0.00 C ATOM 299 CG PHE A 21 -7.459 0.785 0.586 1.00 0.00 C ATOM 300 CD1 PHE A 21 -8.115 -0.142 -0.210 1.00 0.00 C ATOM 301 CD2 PHE A 21 -7.428 0.576 1.957 1.00 0.00 C ATOM 302 CE1 PHE A 21 -8.726 -1.254 0.357 1.00 0.00 C ATOM 303 CE2 PHE A 21 -8.036 -0.531 2.520 1.00 0.00 C ATOM 304 CZ PHE A 21 -8.684 -1.443 1.714 1.00 0.00 C ATOM 0 H PHE A 21 -6.880 4.807 -0.968 1.00 0.00 H new ATOM 0 HA PHE A 21 -8.110 2.253 -1.671 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -5.932 1.647 -0.610 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -6.373 2.596 0.796 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -8.151 0.002 -1.280 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -6.922 1.287 2.593 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -9.234 -1.970 -0.272 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -8.003 -0.681 3.589 1.00 0.00 H new ATOM 0 HZ PHE A 21 -9.159 -2.308 2.153 1.00 0.00 H new ATOM 314 N ARG A 22 -9.885 2.789 0.063 1.00 0.00 N ATOM 315 CA ARG A 22 -10.924 3.125 1.009 1.00 0.00 C ATOM 316 C ARG A 22 -11.080 1.928 1.906 1.00 0.00 C ATOM 317 O ARG A 22 -10.763 0.839 1.481 1.00 0.00 O ATOM 318 CB ARG A 22 -12.237 3.424 0.294 1.00 0.00 C ATOM 319 CG ARG A 22 -13.301 4.013 1.200 1.00 0.00 C ATOM 320 CD ARG A 22 -14.066 5.102 0.480 1.00 0.00 C ATOM 321 NE ARG A 22 -15.079 5.736 1.328 1.00 0.00 N ATOM 322 CZ ARG A 22 -16.301 6.075 0.903 1.00 0.00 C ATOM 323 NH1 ARG A 22 -16.699 5.743 -0.318 1.00 0.00 N ATOM 324 NH2 ARG A 22 -17.133 6.719 1.712 1.00 0.00 N ATOM 0 H ARG A 22 -10.078 1.948 -0.480 1.00 0.00 H new ATOM 0 HA ARG A 22 -10.660 4.018 1.575 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.045 4.117 -0.525 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -12.618 2.504 -0.149 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.988 3.230 1.522 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -12.837 4.419 2.099 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.366 5.860 0.128 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -14.548 4.680 -0.401 1.00 0.00 H new ATOM 0 HE ARG A 22 -14.838 5.930 2.300 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -16.072 5.227 -0.936 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -17.632 6.003 -0.639 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -16.841 6.956 2.660 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -18.064 6.977 1.386 1.00 0.00 H new ATOM 338 N ASP A 23 -11.448 2.106 3.151 1.00 0.00 N ATOM 339 CA ASP A 23 -11.675 0.946 4.000 1.00 0.00 C ATOM 340 C ASP A 23 -13.168 0.795 4.283 1.00 0.00 C ATOM 341 O ASP A 23 -13.947 1.702 3.990 1.00 0.00 O ATOM 342 CB ASP A 23 -10.885 1.083 5.304 1.00 0.00 C ATOM 343 CG ASP A 23 -10.945 -0.168 6.152 1.00 0.00 C ATOM 344 OD1 ASP A 23 -10.188 -1.117 5.869 1.00 0.00 O ATOM 345 OD2 ASP A 23 -11.773 -0.215 7.077 1.00 0.00 O ATOM 0 H ASP A 23 -11.595 3.012 3.596 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.328 0.051 3.484 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.845 1.311 5.072 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.277 1.925 5.876 1.00 0.00 H new ATOM 350 N ASP A 24 -13.564 -0.347 4.852 1.00 0.00 N ATOM 351 CA ASP A 24 -14.972 -0.608 5.158 1.00 0.00 C ATOM 352 C ASP A 24 -15.423 0.267 6.320 1.00 0.00 C ATOM 353 O ASP A 24 -16.612 0.366 6.623 1.00 0.00 O ATOM 354 CB ASP A 24 -15.213 -2.090 5.477 1.00 0.00 C ATOM 355 CG ASP A 24 -14.508 -2.563 6.733 1.00 0.00 C ATOM 356 OD1 ASP A 24 -15.061 -2.383 7.839 1.00 0.00 O ATOM 357 OD2 ASP A 24 -13.415 -3.150 6.612 1.00 0.00 O ATOM 0 H ASP A 24 -12.930 -1.104 5.109 1.00 0.00 H new ATOM 0 HA ASP A 24 -15.561 -0.361 4.275 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -16.284 -2.260 5.586 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.878 -2.694 4.633 1.00 0.00 H new ATOM 362 N ASP A 25 -14.454 0.901 6.963 1.00 0.00 N ATOM 363 CA ASP A 25 -14.724 1.941 7.946 1.00 0.00 C ATOM 364 C ASP A 25 -15.369 3.143 7.259 1.00 0.00 C ATOM 365 O ASP A 25 -16.111 3.909 7.870 1.00 0.00 O ATOM 366 CB ASP A 25 -13.411 2.366 8.615 1.00 0.00 C ATOM 367 CG ASP A 25 -13.587 3.491 9.614 1.00 0.00 C ATOM 368 OD1 ASP A 25 -13.516 4.667 9.207 1.00 0.00 O ATOM 369 OD2 ASP A 25 -13.779 3.203 10.816 1.00 0.00 O ATOM 0 H ASP A 25 -13.462 0.711 6.819 1.00 0.00 H new ATOM 0 HA ASP A 25 -15.406 1.556 8.704 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.973 1.505 9.120 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.704 2.678 7.847 1.00 0.00 H new ATOM 374 N GLY A 26 -15.098 3.273 5.967 1.00 0.00 N ATOM 375 CA GLY A 26 -15.574 4.408 5.206 1.00 0.00 C ATOM 376 C GLY A 26 -14.455 5.381 4.945 1.00 0.00 C ATOM 377 O GLY A 26 -14.512 6.180 4.008 1.00 0.00 O ATOM 0 H GLY A 26 -14.550 2.602 5.428 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -15.994 4.067 4.260 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -16.376 4.906 5.750 1.00 0.00 H new ATOM 381 N THR A 27 -13.430 5.289 5.774 1.00 0.00 N ATOM 382 CA THR A 27 -12.251 6.121 5.651 1.00 0.00 C ATOM 383 C THR A 27 -11.472 5.794 4.389 1.00 0.00 C ATOM 384 O THR A 27 -11.261 4.626 4.063 1.00 0.00 O ATOM 385 CB THR A 27 -11.339 5.953 6.879 1.00 0.00 C ATOM 386 OG1 THR A 27 -12.012 6.422 8.055 1.00 0.00 O ATOM 387 CG2 THR A 27 -10.023 6.700 6.712 1.00 0.00 C ATOM 0 H THR A 27 -13.394 4.632 6.553 1.00 0.00 H new ATOM 0 HA THR A 27 -12.587 7.156 5.591 1.00 0.00 H new ATOM 0 HB THR A 27 -11.113 4.891 6.979 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.334 5.656 8.575 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.408 6.556 7.600 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.495 6.316 5.839 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.223 7.763 6.577 1.00 0.00 H new ATOM 395 N LYS A 28 -11.065 6.826 3.665 1.00 0.00 N ATOM 396 CA LYS A 28 -10.207 6.630 2.522 1.00 0.00 C ATOM 397 C LYS A 28 -8.771 6.637 2.984 1.00 0.00 C ATOM 398 O LYS A 28 -8.292 7.614 3.561 1.00 0.00 O ATOM 399 CB LYS A 28 -10.390 7.717 1.471 1.00 0.00 C ATOM 400 CG LYS A 28 -11.805 8.232 1.344 1.00 0.00 C ATOM 401 CD LYS A 28 -11.840 9.441 0.434 1.00 0.00 C ATOM 402 CE LYS A 28 -12.934 10.422 0.824 1.00 0.00 C ATOM 403 NZ LYS A 28 -12.553 11.209 2.026 1.00 0.00 N ATOM 0 H LYS A 28 -11.316 7.797 3.852 1.00 0.00 H new ATOM 0 HA LYS A 28 -10.472 5.676 2.066 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.733 8.552 1.712 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.070 7.328 0.504 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.451 7.449 0.946 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -12.194 8.496 2.328 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.874 9.945 0.465 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.996 9.115 -0.594 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.132 11.098 -0.008 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.859 9.879 1.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.016 12.140 1.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.855 10.703 2.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.521 11.336 2.045 1.00 0.00 H new ATOM 417 N GLU A 29 -8.099 5.557 2.716 1.00 0.00 N ATOM 418 CA GLU A 29 -6.753 5.374 3.162 1.00 0.00 C ATOM 419 C GLU A 29 -5.765 5.536 2.047 1.00 0.00 C ATOM 420 O GLU A 29 -6.106 5.569 0.866 1.00 0.00 O ATOM 421 CB GLU A 29 -6.567 4.007 3.759 1.00 0.00 C ATOM 422 CG GLU A 29 -7.216 3.861 5.104 1.00 0.00 C ATOM 423 CD GLU A 29 -6.517 4.691 6.155 1.00 0.00 C ATOM 424 OE1 GLU A 29 -5.428 4.277 6.605 1.00 0.00 O ATOM 425 OE2 GLU A 29 -7.032 5.763 6.522 1.00 0.00 O ATOM 0 H GLU A 29 -8.473 4.775 2.179 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.572 6.142 3.914 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.979 3.261 3.080 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.501 3.799 3.852 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.261 4.162 5.038 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.205 2.812 5.402 1.00 0.00 H new ATOM 432 N TRP A 30 -4.533 5.600 2.457 1.00 0.00 N ATOM 433 CA TRP A 30 -3.426 5.740 1.554 1.00 0.00 C ATOM 434 C TRP A 30 -2.191 5.190 2.213 1.00 0.00 C ATOM 435 O TRP A 30 -2.051 5.217 3.436 1.00 0.00 O ATOM 436 CB TRP A 30 -3.201 7.194 1.168 1.00 0.00 C ATOM 437 CG TRP A 30 -3.010 8.078 2.349 1.00 0.00 C ATOM 438 CD1 TRP A 30 -3.983 8.585 3.152 1.00 0.00 C ATOM 439 CD2 TRP A 30 -1.765 8.546 2.868 1.00 0.00 C ATOM 440 NE1 TRP A 30 -3.420 9.365 4.130 1.00 0.00 N ATOM 441 CE2 TRP A 30 -2.055 9.353 3.979 1.00 0.00 C ATOM 442 CE3 TRP A 30 -0.433 8.362 2.494 1.00 0.00 C ATOM 443 CZ2 TRP A 30 -1.057 9.978 4.720 1.00 0.00 C ATOM 444 CZ3 TRP A 30 0.554 8.980 3.228 1.00 0.00 C ATOM 445 CH2 TRP A 30 0.238 9.778 4.331 1.00 0.00 C ATOM 0 H TRP A 30 -4.264 5.556 3.440 1.00 0.00 H new ATOM 0 HA TRP A 30 -3.648 5.187 0.641 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -2.326 7.263 0.522 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -4.054 7.548 0.588 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -5.041 8.401 3.037 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -3.932 9.872 4.852 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.181 7.746 1.644 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -1.297 10.598 5.571 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 1.588 8.846 2.947 1.00 0.00 H new ATOM 0 HH2 TRP A 30 1.035 10.247 4.889 1.00 0.00 H new ATOM 456 N ARG A 31 -1.324 4.675 1.399 1.00 0.00 N ATOM 457 CA ARG A 31 -0.102 4.072 1.844 1.00 0.00 C ATOM 458 C ARG A 31 0.967 4.424 0.879 1.00 0.00 C ATOM 459 O ARG A 31 0.702 4.965 -0.194 1.00 0.00 O ATOM 460 CB ARG A 31 -0.235 2.564 1.965 1.00 0.00 C ATOM 461 CG ARG A 31 -1.336 2.171 2.909 1.00 0.00 C ATOM 462 CD ARG A 31 -1.572 0.689 2.910 1.00 0.00 C ATOM 463 NE ARG A 31 -2.714 0.331 3.742 1.00 0.00 N ATOM 464 CZ ARG A 31 -3.478 -0.725 3.511 1.00 0.00 C ATOM 465 NH1 ARG A 31 -3.189 -1.526 2.503 1.00 0.00 N ATOM 466 NH2 ARG A 31 -4.526 -0.975 4.284 1.00 0.00 N ATOM 0 H ARG A 31 -1.446 4.660 0.386 1.00 0.00 H new ATOM 0 HA ARG A 31 0.145 4.449 2.837 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.431 2.137 0.981 1.00 0.00 H new ATOM 0 HB3 ARG A 31 0.708 2.143 2.313 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.083 2.499 3.917 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.255 2.685 2.628 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.742 0.346 1.890 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.681 0.178 3.274 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.935 0.924 4.542 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.383 -1.329 1.910 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.772 -2.342 2.317 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.747 -0.352 5.061 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.111 -1.790 4.102 1.00 0.00 H new ATOM 480 N CYS A 32 2.154 4.088 1.231 1.00 0.00 N ATOM 481 CA CYS A 32 3.280 4.482 0.455 1.00 0.00 C ATOM 482 C CYS A 32 3.720 3.257 -0.265 1.00 0.00 C ATOM 483 O CYS A 32 3.809 2.187 0.330 1.00 0.00 O ATOM 484 CB CYS A 32 4.400 4.984 1.357 1.00 0.00 C ATOM 485 SG CYS A 32 3.833 5.553 2.980 1.00 0.00 S ATOM 0 H CYS A 32 2.376 3.536 2.059 1.00 0.00 H new ATOM 0 HA CYS A 32 3.028 5.291 -0.231 1.00 0.00 H new ATOM 0 HB2 CYS A 32 5.127 4.184 1.497 1.00 0.00 H new ATOM 0 HB3 CYS A 32 4.918 5.802 0.856 1.00 0.00 H new ATOM 0 HG CYS A 32 4.860 5.759 3.751 1.00 0.00 H new ATOM 491 N LEU A 33 3.875 3.433 -1.567 1.00 0.00 N ATOM 492 CA LEU A 33 4.141 2.353 -2.503 1.00 0.00 C ATOM 493 C LEU A 33 5.196 1.370 -2.010 1.00 0.00 C ATOM 494 O LEU A 33 5.849 1.592 -1.003 1.00 0.00 O ATOM 495 CB LEU A 33 4.540 2.961 -3.835 1.00 0.00 C ATOM 496 CG LEU A 33 3.453 2.918 -4.910 1.00 0.00 C ATOM 497 CD1 LEU A 33 2.066 3.047 -4.291 1.00 0.00 C ATOM 498 CD2 LEU A 33 3.680 4.035 -5.901 1.00 0.00 C ATOM 0 H LEU A 33 3.818 4.349 -2.012 1.00 0.00 H new ATOM 0 HA LEU A 33 3.230 1.765 -2.609 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.830 3.999 -3.672 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.421 2.439 -4.208 1.00 0.00 H new ATOM 0 HG LEU A 33 3.508 1.957 -5.421 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.312 3.013 -5.077 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.901 2.225 -3.594 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.992 3.995 -3.758 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.905 4.005 -6.667 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.641 4.994 -5.384 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.657 3.914 -6.368 1.00 0.00 H new ATOM 510 N LEU A 34 5.357 0.282 -2.730 1.00 0.00 N ATOM 511 CA LEU A 34 6.251 -0.775 -2.297 1.00 0.00 C ATOM 512 C LEU A 34 7.646 -0.248 -2.054 1.00 0.00 C ATOM 513 O LEU A 34 8.251 0.356 -2.928 1.00 0.00 O ATOM 514 CB LEU A 34 6.272 -1.891 -3.320 1.00 0.00 C ATOM 515 CG LEU A 34 4.916 -2.531 -3.545 1.00 0.00 C ATOM 516 CD1 LEU A 34 5.039 -3.696 -4.487 1.00 0.00 C ATOM 517 CD2 LEU A 34 4.310 -2.967 -2.223 1.00 0.00 C ATOM 0 H LEU A 34 4.883 0.104 -3.616 1.00 0.00 H new ATOM 0 HA LEU A 34 5.878 -1.170 -1.352 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.641 -1.498 -4.267 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.977 -2.657 -2.996 1.00 0.00 H new ATOM 0 HG LEU A 34 4.252 -1.794 -3.997 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.058 -4.146 -4.639 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.432 -3.351 -5.443 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.716 -4.437 -4.062 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.337 -3.424 -2.402 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.968 -3.691 -1.742 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.189 -2.099 -1.574 1.00 0.00 H new ATOM 529 N GLY A 35 8.125 -0.446 -0.841 1.00 0.00 N ATOM 530 CA GLY A 35 9.446 0.016 -0.487 1.00 0.00 C ATOM 531 C GLY A 35 9.512 1.510 -0.239 1.00 0.00 C ATOM 532 O GLY A 35 10.584 2.050 -0.026 1.00 0.00 O ATOM 0 H GLY A 35 7.621 -0.920 -0.092 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.779 -0.509 0.408 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.140 -0.244 -1.286 1.00 0.00 H new ATOM 536 N TYR A 36 8.361 2.165 -0.249 1.00 0.00 N ATOM 537 CA TYR A 36 8.270 3.606 -0.028 1.00 0.00 C ATOM 538 C TYR A 36 8.045 3.926 1.449 1.00 0.00 C ATOM 539 O TYR A 36 7.907 3.027 2.284 1.00 0.00 O ATOM 540 CB TYR A 36 7.114 4.195 -0.842 1.00 0.00 C ATOM 541 CG TYR A 36 7.390 4.370 -2.322 1.00 0.00 C ATOM 542 CD1 TYR A 36 7.888 3.336 -3.099 1.00 0.00 C ATOM 543 CD2 TYR A 36 7.151 5.586 -2.936 1.00 0.00 C ATOM 544 CE1 TYR A 36 8.137 3.513 -4.445 1.00 0.00 C ATOM 545 CE2 TYR A 36 7.401 5.776 -4.277 1.00 0.00 C ATOM 546 CZ TYR A 36 7.892 4.734 -5.030 1.00 0.00 C ATOM 547 OH TYR A 36 8.149 4.921 -6.371 1.00 0.00 O ATOM 0 H TYR A 36 7.460 1.714 -0.411 1.00 0.00 H new ATOM 0 HA TYR A 36 9.214 4.047 -0.347 1.00 0.00 H new ATOM 0 HB2 TYR A 36 6.243 3.550 -0.725 1.00 0.00 H new ATOM 0 HB3 TYR A 36 6.851 5.165 -0.421 1.00 0.00 H new ATOM 0 HD1 TYR A 36 8.084 2.376 -2.644 1.00 0.00 H new ATOM 0 HD2 TYR A 36 6.760 6.405 -2.351 1.00 0.00 H new ATOM 0 HE1 TYR A 36 8.523 2.696 -5.037 1.00 0.00 H new ATOM 0 HE2 TYR A 36 7.213 6.736 -4.734 1.00 0.00 H new ATOM 0 HH TYR A 36 7.919 5.840 -6.623 1.00 0.00 H new ATOM 557 N LYS A 37 7.997 5.218 1.763 1.00 0.00 N ATOM 558 CA LYS A 37 7.802 5.684 3.120 1.00 0.00 C ATOM 559 C LYS A 37 7.145 7.050 3.093 1.00 0.00 C ATOM 560 O LYS A 37 6.950 7.622 2.027 1.00 0.00 O ATOM 561 CB LYS A 37 9.147 5.795 3.830 1.00 0.00 C ATOM 562 CG LYS A 37 10.119 6.718 3.118 1.00 0.00 C ATOM 563 CD LYS A 37 11.446 6.806 3.851 1.00 0.00 C ATOM 564 CE LYS A 37 12.307 7.944 3.320 1.00 0.00 C ATOM 565 NZ LYS A 37 13.661 7.953 3.935 1.00 0.00 N ATOM 0 H LYS A 37 8.093 5.967 1.078 1.00 0.00 H new ATOM 0 HA LYS A 37 7.168 4.975 3.652 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.987 6.158 4.845 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.591 4.803 3.913 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.287 6.358 2.103 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.682 7.713 3.035 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.265 6.953 4.916 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.983 5.863 3.746 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.401 7.853 2.238 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.813 8.895 3.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 14.214 8.743 3.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.574 8.066 4.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 14.144 7.056 3.725 1.00 0.00 H new ATOM 579 N LYS A 38 6.799 7.567 4.253 1.00 0.00 N ATOM 580 CA LYS A 38 6.328 8.934 4.355 1.00 0.00 C ATOM 581 C LYS A 38 7.501 9.890 4.498 1.00 0.00 C ATOM 582 O LYS A 38 8.367 9.693 5.350 1.00 0.00 O ATOM 583 CB LYS A 38 5.388 9.087 5.528 1.00 0.00 C ATOM 584 CG LYS A 38 4.191 8.167 5.452 1.00 0.00 C ATOM 585 CD LYS A 38 3.000 8.822 6.080 1.00 0.00 C ATOM 586 CE LYS A 38 1.971 7.811 6.563 1.00 0.00 C ATOM 587 NZ LYS A 38 2.497 6.962 7.663 1.00 0.00 N ATOM 0 H LYS A 38 6.835 7.062 5.139 1.00 0.00 H new ATOM 0 HA LYS A 38 5.786 9.177 3.441 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.933 8.889 6.451 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.043 10.120 5.577 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.975 7.923 4.412 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.411 7.228 5.961 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.326 9.434 6.921 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.535 9.493 5.358 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.080 8.337 6.906 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.667 7.177 5.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.704 6.579 8.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.050 6.178 7.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.106 7.534 8.282 1.00 0.00 H new ATOM 601 N GLY A 39 7.529 10.914 3.662 1.00 0.00 N ATOM 602 CA GLY A 39 8.645 11.836 3.670 1.00 0.00 C ATOM 603 C GLY A 39 8.215 13.285 3.710 1.00 0.00 C ATOM 604 O GLY A 39 8.630 14.036 4.590 1.00 0.00 O ATOM 0 H GLY A 39 6.801 11.124 2.979 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.276 11.626 4.534 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.254 11.668 2.782 1.00 0.00 H new ATOM 608 N GLU A 40 7.371 13.669 2.761 1.00 0.00 N ATOM 609 CA GLU A 40 6.972 15.066 2.586 1.00 0.00 C ATOM 610 C GLU A 40 6.241 15.590 3.828 1.00 0.00 C ATOM 611 O GLU A 40 6.767 16.403 4.589 1.00 0.00 O ATOM 612 CB GLU A 40 6.055 15.204 1.362 1.00 0.00 C ATOM 613 CG GLU A 40 6.387 14.260 0.211 1.00 0.00 C ATOM 614 CD GLU A 40 7.648 14.643 -0.538 1.00 0.00 C ATOM 615 OE1 GLU A 40 8.667 14.952 0.112 1.00 0.00 O ATOM 616 OE2 GLU A 40 7.634 14.612 -1.783 1.00 0.00 O ATOM 0 H GLU A 40 6.944 13.028 2.093 1.00 0.00 H new ATOM 0 HA GLU A 40 7.876 15.656 2.437 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.026 15.028 1.674 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.107 16.231 0.999 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.498 13.248 0.601 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.550 14.242 -0.487 1.00 0.00 H new ATOM 623 N GLY A 41 5.025 15.106 4.013 1.00 0.00 N ATOM 624 CA GLY A 41 4.203 15.474 5.151 1.00 0.00 C ATOM 625 C GLY A 41 2.804 14.940 4.954 1.00 0.00 C ATOM 626 O GLY A 41 2.005 15.555 4.248 1.00 0.00 O ATOM 0 H GLY A 41 4.580 14.445 3.376 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.632 15.071 6.069 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.178 16.558 5.260 1.00 0.00 H new ATOM 630 N ASN A 42 2.508 13.792 5.560 1.00 0.00 N ATOM 631 CA ASN A 42 1.347 13.001 5.166 1.00 0.00 C ATOM 632 C ASN A 42 1.435 12.739 3.673 1.00 0.00 C ATOM 633 O ASN A 42 0.629 13.238 2.891 1.00 0.00 O ATOM 634 CB ASN A 42 0.035 13.711 5.495 1.00 0.00 C ATOM 635 CG ASN A 42 -0.312 13.673 6.971 1.00 0.00 C ATOM 636 OD1 ASN A 42 0.566 13.693 7.833 1.00 0.00 O ATOM 637 ND2 ASN A 42 -1.598 13.605 7.269 1.00 0.00 N ATOM 0 H ASN A 42 3.054 13.391 6.322 1.00 0.00 H new ATOM 0 HA ASN A 42 1.353 12.065 5.725 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.100 14.750 5.171 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.773 13.250 4.927 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.894 13.567 8.244 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -2.294 13.591 6.524 1.00 0.00 H new ATOM 644 N THR A 43 2.457 11.992 3.280 1.00 0.00 N ATOM 645 CA THR A 43 2.761 11.779 1.875 1.00 0.00 C ATOM 646 C THR A 43 3.663 10.568 1.746 1.00 0.00 C ATOM 647 O THR A 43 3.978 9.925 2.743 1.00 0.00 O ATOM 648 CB THR A 43 3.478 12.990 1.261 1.00 0.00 C ATOM 649 OG1 THR A 43 3.260 14.160 2.057 1.00 0.00 O ATOM 650 CG2 THR A 43 2.982 13.251 -0.145 1.00 0.00 C ATOM 0 H THR A 43 3.094 11.520 3.922 1.00 0.00 H new ATOM 0 HA THR A 43 1.821 11.629 1.344 1.00 0.00 H new ATOM 0 HB THR A 43 4.544 12.764 1.231 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.994 14.905 1.478 1.00 0.00 H new ATOM 0 HG21 THR A 43 3.503 14.113 -0.561 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.174 12.377 -0.767 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.911 13.451 -0.122 1.00 0.00 H new ATOM 658 N CYS A 44 4.097 10.268 0.537 1.00 0.00 N ATOM 659 CA CYS A 44 4.930 9.107 0.310 1.00 0.00 C ATOM 660 C CYS A 44 6.076 9.445 -0.629 1.00 0.00 C ATOM 661 O CYS A 44 5.946 10.299 -1.502 1.00 0.00 O ATOM 662 CB CYS A 44 4.077 7.983 -0.255 1.00 0.00 C ATOM 663 SG CYS A 44 2.609 7.628 0.739 1.00 0.00 S ATOM 0 H CYS A 44 3.886 10.812 -0.300 1.00 0.00 H new ATOM 0 HA CYS A 44 5.365 8.783 1.256 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.767 8.245 -1.267 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.683 7.080 -0.331 1.00 0.00 H new ATOM 0 HG CYS A 44 2.961 7.015 1.830 1.00 0.00 H new ATOM 669 N VAL A 45 7.196 8.787 -0.402 1.00 0.00 N ATOM 670 CA VAL A 45 8.400 8.934 -1.194 1.00 0.00 C ATOM 671 C VAL A 45 9.130 7.618 -1.175 1.00 0.00 C ATOM 672 O VAL A 45 8.819 6.765 -0.349 1.00 0.00 O ATOM 673 CB VAL A 45 9.350 10.015 -0.638 1.00 0.00 C ATOM 674 CG1 VAL A 45 8.760 11.407 -0.804 1.00 0.00 C ATOM 675 CG2 VAL A 45 9.669 9.750 0.828 1.00 0.00 C ATOM 0 H VAL A 45 7.296 8.117 0.360 1.00 0.00 H new ATOM 0 HA VAL A 45 8.105 9.235 -2.199 1.00 0.00 H new ATOM 0 HB VAL A 45 10.275 9.968 -1.212 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.453 12.146 -0.403 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.590 11.606 -1.862 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.814 11.468 -0.266 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.340 10.524 1.200 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.747 9.760 1.409 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.149 8.776 0.926 1.00 0.00 H new ATOM 685 N GLU A 46 10.087 7.441 -2.061 1.00 0.00 N ATOM 686 CA GLU A 46 10.841 6.210 -2.071 1.00 0.00 C ATOM 687 C GLU A 46 11.644 6.066 -0.793 1.00 0.00 C ATOM 688 O GLU A 46 12.172 7.037 -0.242 1.00 0.00 O ATOM 689 CB GLU A 46 11.768 6.120 -3.275 1.00 0.00 C ATOM 690 CG GLU A 46 11.374 5.046 -4.285 1.00 0.00 C ATOM 691 CD GLU A 46 11.276 3.641 -3.725 1.00 0.00 C ATOM 692 OE1 GLU A 46 11.021 3.477 -2.521 1.00 0.00 O ATOM 693 OE2 GLU A 46 11.442 2.689 -4.518 1.00 0.00 O ATOM 0 H GLU A 46 10.357 8.122 -2.771 1.00 0.00 H new ATOM 0 HA GLU A 46 10.121 5.394 -2.140 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.788 7.087 -3.778 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.781 5.921 -2.926 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.412 5.315 -4.721 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.102 5.047 -5.096 1.00 0.00 H new ATOM 700 N ASN A 47 11.714 4.846 -0.335 1.00 0.00 N ATOM 701 CA ASN A 47 12.439 4.516 0.879 1.00 0.00 C ATOM 702 C ASN A 47 13.584 3.585 0.547 1.00 0.00 C ATOM 703 O ASN A 47 13.395 2.438 0.153 1.00 0.00 O ATOM 704 CB ASN A 47 11.503 3.900 1.923 1.00 0.00 C ATOM 705 CG ASN A 47 12.197 3.540 3.221 1.00 0.00 C ATOM 706 OD1 ASN A 47 13.301 3.998 3.511 1.00 0.00 O ATOM 707 ND2 ASN A 47 11.524 2.746 4.033 1.00 0.00 N ATOM 0 H ASN A 47 11.272 4.046 -0.788 1.00 0.00 H new ATOM 0 HA ASN A 47 12.848 5.430 1.311 1.00 0.00 H new ATOM 0 HB2 ASN A 47 10.696 4.601 2.134 1.00 0.00 H new ATOM 0 HB3 ASN A 47 11.045 3.004 1.505 1.00 0.00 H new ATOM 0 HD21 ASN A 47 11.917 2.491 4.939 1.00 0.00 H new ATOM 0 HD22 ASN A 47 10.611 2.387 3.754 1.00 0.00 H new ATOM 714 N ASN A 48 14.785 4.089 0.732 1.00 0.00 N ATOM 715 CA ASN A 48 15.979 3.427 0.280 1.00 0.00 C ATOM 716 C ASN A 48 16.341 2.233 1.161 1.00 0.00 C ATOM 717 O ASN A 48 17.366 1.588 0.958 1.00 0.00 O ATOM 718 CB ASN A 48 17.098 4.448 0.254 1.00 0.00 C ATOM 719 CG ASN A 48 16.780 5.642 -0.637 1.00 0.00 C ATOM 720 OD1 ASN A 48 17.225 6.757 -0.369 1.00 0.00 O ATOM 721 ND2 ASN A 48 16.001 5.426 -1.692 1.00 0.00 N ATOM 0 H ASN A 48 14.956 4.977 1.204 1.00 0.00 H new ATOM 0 HA ASN A 48 15.813 3.024 -0.719 1.00 0.00 H new ATOM 0 HB2 ASN A 48 17.290 4.797 1.269 1.00 0.00 H new ATOM 0 HB3 ASN A 48 18.013 3.970 -0.097 1.00 0.00 H new ATOM 0 HD21 ASN A 48 15.754 6.199 -2.310 1.00 0.00 H new ATOM 0 HD22 ASN A 48 15.650 4.488 -1.883 1.00 0.00 H new ATOM 728 N ASN A 49 15.466 1.917 2.101 1.00 0.00 N ATOM 729 CA ASN A 49 15.670 0.813 3.020 1.00 0.00 C ATOM 730 C ASN A 49 14.335 0.433 3.646 1.00 0.00 C ATOM 731 O ASN A 49 14.062 0.749 4.805 1.00 0.00 O ATOM 732 CB ASN A 49 16.673 1.203 4.101 1.00 0.00 C ATOM 733 CG ASN A 49 17.126 0.018 4.935 1.00 0.00 C ATOM 734 OD1 ASN A 49 18.078 -0.681 4.580 1.00 0.00 O ATOM 735 ND2 ASN A 49 16.452 -0.211 6.048 1.00 0.00 N ATOM 0 H ASN A 49 14.592 2.421 2.248 1.00 0.00 H new ATOM 0 HA ASN A 49 16.071 -0.043 2.477 1.00 0.00 H new ATOM 0 HB2 ASN A 49 17.542 1.667 3.634 1.00 0.00 H new ATOM 0 HB3 ASN A 49 16.224 1.951 4.754 1.00 0.00 H new ATOM 0 HD21 ASN A 49 16.713 -0.991 6.651 1.00 0.00 H new ATOM 0 HD22 ASN A 49 15.671 0.392 6.304 1.00 0.00 H new ATOM 742 N PRO A 50 13.466 -0.218 2.864 1.00 0.00 N ATOM 743 CA PRO A 50 12.135 -0.584 3.312 1.00 0.00 C ATOM 744 C PRO A 50 12.159 -1.748 4.285 1.00 0.00 C ATOM 745 O PRO A 50 12.839 -2.749 4.062 1.00 0.00 O ATOM 746 CB PRO A 50 11.397 -0.968 2.034 1.00 0.00 C ATOM 747 CG PRO A 50 12.350 -0.772 0.904 1.00 0.00 C ATOM 748 CD PRO A 50 13.715 -0.650 1.487 1.00 0.00 C ATOM 0 HA PRO A 50 11.656 0.234 3.851 1.00 0.00 H new ATOM 0 HB2 PRO A 50 11.061 -2.004 2.079 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.509 -0.350 1.901 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.302 -1.613 0.212 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.094 0.123 0.337 1.00 0.00 H new ATOM 0 HD2 PRO A 50 14.250 -1.599 1.455 1.00 0.00 H new ATOM 0 HD3 PRO A 50 14.320 0.075 0.943 1.00 0.00 H new ATOM 756 N THR A 51 11.426 -1.596 5.365 1.00 0.00 N ATOM 757 CA THR A 51 11.386 -2.592 6.409 1.00 0.00 C ATOM 758 C THR A 51 9.956 -3.076 6.616 1.00 0.00 C ATOM 759 O THR A 51 9.001 -2.333 6.381 1.00 0.00 O ATOM 760 CB THR A 51 11.953 -2.025 7.733 1.00 0.00 C ATOM 761 OG1 THR A 51 12.097 -3.067 8.704 1.00 0.00 O ATOM 762 CG2 THR A 51 11.047 -0.938 8.291 1.00 0.00 C ATOM 0 H THR A 51 10.842 -0.779 5.543 1.00 0.00 H new ATOM 0 HA THR A 51 12.007 -3.434 6.103 1.00 0.00 H new ATOM 0 HB THR A 51 12.931 -1.594 7.518 1.00 0.00 H new ATOM 0 HG1 THR A 51 11.211 -3.367 8.996 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.467 -0.556 9.221 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.966 -0.126 7.569 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.057 -1.352 8.483 1.00 0.00 H new ATOM 770 N CYS A 52 9.808 -4.317 7.037 1.00 0.00 N ATOM 771 CA CYS A 52 8.509 -4.826 7.443 1.00 0.00 C ATOM 772 C CYS A 52 8.230 -4.357 8.872 1.00 0.00 C ATOM 773 O CYS A 52 9.136 -3.843 9.533 1.00 0.00 O ATOM 774 CB CYS A 52 8.493 -6.359 7.337 1.00 0.00 C ATOM 775 SG CYS A 52 7.153 -7.178 8.234 1.00 0.00 S ATOM 0 H CYS A 52 10.569 -4.992 7.107 1.00 0.00 H new ATOM 0 HA CYS A 52 7.725 -4.445 6.788 1.00 0.00 H new ATOM 0 HB2 CYS A 52 8.425 -6.634 6.284 1.00 0.00 H new ATOM 0 HB3 CYS A 52 9.444 -6.743 7.706 1.00 0.00 H new ATOM 0 HG CYS A 52 6.272 -7.621 7.387 1.00 0.00 H new ATOM 781 N ASP A 53 6.972 -4.500 9.313 1.00 0.00 N ATOM 782 CA ASP A 53 6.481 -3.966 10.599 1.00 0.00 C ATOM 783 C ASP A 53 6.046 -2.516 10.455 1.00 0.00 C ATOM 784 O ASP A 53 5.141 -2.057 11.150 1.00 0.00 O ATOM 785 CB ASP A 53 7.510 -4.073 11.737 1.00 0.00 C ATOM 786 CG ASP A 53 7.701 -5.489 12.234 1.00 0.00 C ATOM 787 OD1 ASP A 53 6.767 -6.039 12.848 1.00 0.00 O ATOM 788 OD2 ASP A 53 8.793 -6.057 12.020 1.00 0.00 O ATOM 0 H ASP A 53 6.255 -4.995 8.783 1.00 0.00 H new ATOM 0 HA ASP A 53 5.628 -4.589 10.868 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.467 -3.684 11.391 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.191 -3.443 12.567 1.00 0.00 H new ATOM 793 N ILE A 54 6.681 -1.804 9.538 1.00 0.00 N ATOM 794 CA ILE A 54 6.402 -0.393 9.329 1.00 0.00 C ATOM 795 C ILE A 54 5.878 -0.180 7.931 1.00 0.00 C ATOM 796 O ILE A 54 6.618 -0.325 6.954 1.00 0.00 O ATOM 797 CB ILE A 54 7.660 0.470 9.560 1.00 0.00 C ATOM 798 CG1 ILE A 54 8.204 0.238 10.973 1.00 0.00 C ATOM 799 CG2 ILE A 54 7.346 1.944 9.341 1.00 0.00 C ATOM 800 CD1 ILE A 54 9.521 0.931 11.246 1.00 0.00 C ATOM 0 H ILE A 54 7.399 -2.185 8.922 1.00 0.00 H new ATOM 0 HA ILE A 54 5.648 -0.084 10.053 1.00 0.00 H new ATOM 0 HB ILE A 54 8.423 0.176 8.840 1.00 0.00 H new ATOM 0 HG12 ILE A 54 7.466 0.584 11.697 1.00 0.00 H new ATOM 0 HG13 ILE A 54 8.329 -0.833 11.132 1.00 0.00 H new ATOM 0 HG21 ILE A 54 8.245 2.536 9.509 1.00 0.00 H new ATOM 0 HG22 ILE A 54 6.998 2.094 8.319 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.570 2.258 10.039 1.00 0.00 H new ATOM 0 HD11 ILE A 54 9.839 0.718 12.266 1.00 0.00 H new ATOM 0 HD12 ILE A 54 10.275 0.568 10.547 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.399 2.007 11.121 1.00 0.00 H new ATOM 812 N ASN A 55 4.581 0.107 7.841 1.00 0.00 N ATOM 813 CA ASN A 55 3.919 0.321 6.559 1.00 0.00 C ATOM 814 C ASN A 55 3.901 -0.987 5.777 1.00 0.00 C ATOM 815 O ASN A 55 3.645 -1.011 4.578 1.00 0.00 O ATOM 816 CB ASN A 55 4.650 1.418 5.779 1.00 0.00 C ATOM 817 CG ASN A 55 3.874 1.928 4.581 1.00 0.00 C ATOM 818 OD1 ASN A 55 2.646 2.017 4.606 1.00 0.00 O ATOM 819 ND2 ASN A 55 4.589 2.260 3.518 1.00 0.00 N ATOM 0 H ASN A 55 3.965 0.197 8.649 1.00 0.00 H new ATOM 0 HA ASN A 55 2.890 0.644 6.719 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.858 2.252 6.449 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.612 1.033 5.441 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.124 2.605 2.678 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.605 2.171 3.539 1.00 0.00 H new ATOM 826 N ASN A 56 4.181 -2.076 6.494 1.00 0.00 N ATOM 827 CA ASN A 56 4.308 -3.408 5.905 1.00 0.00 C ATOM 828 C ASN A 56 5.377 -3.406 4.804 1.00 0.00 C ATOM 829 O ASN A 56 5.346 -4.225 3.893 1.00 0.00 O ATOM 830 CB ASN A 56 2.958 -3.877 5.331 1.00 0.00 C ATOM 831 CG ASN A 56 2.800 -5.384 5.338 1.00 0.00 C ATOM 832 OD1 ASN A 56 3.196 -6.053 6.289 1.00 0.00 O ATOM 833 ND2 ASN A 56 2.230 -5.923 4.271 1.00 0.00 N ATOM 0 H ASN A 56 4.326 -2.058 7.503 1.00 0.00 H new ATOM 0 HA ASN A 56 4.612 -4.101 6.689 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.149 -3.430 5.909 1.00 0.00 H new ATOM 0 HB3 ASN A 56 2.858 -3.512 4.309 1.00 0.00 H new ATOM 0 HD21 ASN A 56 2.105 -6.934 4.216 1.00 0.00 H new ATOM 0 HD22 ASN A 56 1.916 -5.327 3.505 1.00 0.00 H new ATOM 840 N GLY A 57 6.321 -2.469 4.900 1.00 0.00 N ATOM 841 CA GLY A 57 7.335 -2.312 3.873 1.00 0.00 C ATOM 842 C GLY A 57 6.776 -1.672 2.618 1.00 0.00 C ATOM 843 O GLY A 57 7.335 -1.813 1.532 1.00 0.00 O ATOM 0 H GLY A 57 6.399 -1.813 5.677 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.151 -1.701 4.259 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.756 -3.287 3.627 1.00 0.00 H new ATOM 847 N GLY A 58 5.670 -0.963 2.773 1.00 0.00 N ATOM 848 CA GLY A 58 5.012 -0.353 1.641 1.00 0.00 C ATOM 849 C GLY A 58 3.932 -1.254 1.091 1.00 0.00 C ATOM 850 O GLY A 58 3.460 -1.070 -0.022 1.00 0.00 O ATOM 0 H GLY A 58 5.214 -0.799 3.671 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.577 0.601 1.939 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.744 -0.140 0.862 1.00 0.00 H new ATOM 854 N CYS A 59 3.542 -2.232 1.893 1.00 0.00 N ATOM 855 CA CYS A 59 2.596 -3.251 1.473 1.00 0.00 C ATOM 856 C CYS A 59 1.294 -3.177 2.278 1.00 0.00 C ATOM 857 O CYS A 59 1.143 -2.354 3.183 1.00 0.00 O ATOM 858 CB CYS A 59 3.228 -4.638 1.599 1.00 0.00 C ATOM 859 SG CYS A 59 4.727 -4.856 0.618 1.00 0.00 S ATOM 0 H CYS A 59 3.872 -2.341 2.852 1.00 0.00 H new ATOM 0 HA CYS A 59 2.346 -3.068 0.428 1.00 0.00 H new ATOM 0 HB2 CYS A 59 3.462 -4.825 2.647 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.497 -5.388 1.297 1.00 0.00 H new ATOM 0 HG CYS A 59 4.951 -6.125 0.445 1.00 0.00 H new ATOM 865 N ASP A 60 0.363 -4.051 1.932 1.00 0.00 N ATOM 866 CA ASP A 60 -0.945 -4.124 2.587 1.00 0.00 C ATOM 867 C ASP A 60 -0.928 -5.234 3.626 1.00 0.00 C ATOM 868 O ASP A 60 -0.295 -6.254 3.424 1.00 0.00 O ATOM 869 CB ASP A 60 -2.011 -4.445 1.529 1.00 0.00 C ATOM 870 CG ASP A 60 -3.403 -4.667 2.107 1.00 0.00 C ATOM 871 OD1 ASP A 60 -3.648 -5.741 2.676 1.00 0.00 O ATOM 872 OD2 ASP A 60 -4.259 -3.763 1.994 1.00 0.00 O ATOM 0 H ASP A 60 0.488 -4.735 1.186 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.170 -3.174 3.071 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.053 -3.628 0.809 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.709 -5.337 0.981 1.00 0.00 H new ATOM 877 N PRO A 61 -1.608 -5.022 4.772 1.00 0.00 N ATOM 878 CA PRO A 61 -1.639 -5.975 5.883 1.00 0.00 C ATOM 879 C PRO A 61 -2.046 -7.397 5.474 1.00 0.00 C ATOM 880 O PRO A 61 -1.708 -8.361 6.165 1.00 0.00 O ATOM 881 CB PRO A 61 -2.690 -5.394 6.839 1.00 0.00 C ATOM 882 CG PRO A 61 -3.361 -4.295 6.105 1.00 0.00 C ATOM 883 CD PRO A 61 -2.385 -3.820 5.087 1.00 0.00 C ATOM 0 HA PRO A 61 -0.644 -6.085 6.314 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.409 -6.158 7.137 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.223 -5.023 7.751 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -4.278 -4.646 5.631 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.641 -3.488 6.782 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.887 -3.423 4.204 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.752 -3.024 5.479 1.00 0.00 H new ATOM 891 N THR A 62 -2.795 -7.528 4.382 1.00 0.00 N ATOM 892 CA THR A 62 -3.158 -8.843 3.866 1.00 0.00 C ATOM 893 C THR A 62 -2.093 -9.327 2.891 1.00 0.00 C ATOM 894 O THR A 62 -1.922 -10.531 2.682 1.00 0.00 O ATOM 895 CB THR A 62 -4.537 -8.847 3.168 1.00 0.00 C ATOM 896 OG1 THR A 62 -4.523 -8.021 1.996 1.00 0.00 O ATOM 897 CG2 THR A 62 -5.622 -8.362 4.116 1.00 0.00 C ATOM 0 H THR A 62 -3.160 -6.744 3.841 1.00 0.00 H new ATOM 0 HA THR A 62 -3.223 -9.516 4.721 1.00 0.00 H new ATOM 0 HB THR A 62 -4.752 -9.874 2.873 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.867 -7.302 2.110 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.584 -8.373 3.604 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.666 -9.018 4.985 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.395 -7.346 4.440 1.00 0.00 H new ATOM 905 N ALA A 63 -1.380 -8.375 2.294 1.00 0.00 N ATOM 906 CA ALA A 63 -0.262 -8.679 1.433 1.00 0.00 C ATOM 907 C ALA A 63 0.945 -9.122 2.254 1.00 0.00 C ATOM 908 O ALA A 63 1.595 -8.308 2.908 1.00 0.00 O ATOM 909 CB ALA A 63 0.082 -7.468 0.582 1.00 0.00 C ATOM 0 H ALA A 63 -1.567 -7.378 2.399 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.541 -9.501 0.774 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.927 -7.706 -0.065 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.778 -7.197 -0.030 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.345 -6.631 1.229 1.00 0.00 H new ATOM 915 N SER A 64 1.224 -10.420 2.221 1.00 0.00 N ATOM 916 CA SER A 64 2.359 -11.001 2.936 1.00 0.00 C ATOM 917 C SER A 64 3.664 -10.284 2.584 1.00 0.00 C ATOM 918 O SER A 64 4.215 -10.469 1.496 1.00 0.00 O ATOM 919 CB SER A 64 2.468 -12.495 2.610 1.00 0.00 C ATOM 920 OG SER A 64 3.580 -13.090 3.254 1.00 0.00 O ATOM 0 H SER A 64 0.672 -11.100 1.699 1.00 0.00 H new ATOM 0 HA SER A 64 2.190 -10.876 4.006 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.554 -13.003 2.918 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.558 -12.627 1.532 1.00 0.00 H new ATOM 0 HG SER A 64 3.619 -14.042 3.026 1.00 0.00 H new ATOM 926 N CYS A 65 4.130 -9.454 3.511 1.00 0.00 N ATOM 927 CA CYS A 65 5.354 -8.683 3.334 1.00 0.00 C ATOM 928 C CYS A 65 6.600 -9.542 3.514 1.00 0.00 C ATOM 929 O CYS A 65 6.578 -10.549 4.221 1.00 0.00 O ATOM 930 CB CYS A 65 5.399 -7.560 4.360 1.00 0.00 C ATOM 931 SG CYS A 65 5.191 -8.152 6.053 1.00 0.00 S ATOM 0 H CYS A 65 3.669 -9.297 4.407 1.00 0.00 H new ATOM 0 HA CYS A 65 5.346 -8.289 2.318 1.00 0.00 H new ATOM 0 HB2 CYS A 65 6.351 -7.036 4.277 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.616 -6.836 4.134 1.00 0.00 H new ATOM 0 HG CYS A 65 4.302 -7.424 6.661 1.00 0.00 H new ATOM 937 N GLN A 66 7.685 -9.122 2.873 1.00 0.00 N ATOM 938 CA GLN A 66 8.997 -9.718 3.087 1.00 0.00 C ATOM 939 C GLN A 66 10.051 -8.618 3.059 1.00 0.00 C ATOM 940 O GLN A 66 10.184 -7.911 2.061 1.00 0.00 O ATOM 941 CB GLN A 66 9.313 -10.771 2.016 1.00 0.00 C ATOM 942 CG GLN A 66 8.256 -11.859 1.889 1.00 0.00 C ATOM 943 CD GLN A 66 8.833 -13.253 1.708 1.00 0.00 C ATOM 944 OE1 GLN A 66 8.260 -14.084 1.003 1.00 0.00 O ATOM 945 NE2 GLN A 66 9.937 -13.543 2.378 1.00 0.00 N ATOM 0 H GLN A 66 7.680 -8.362 2.193 1.00 0.00 H new ATOM 0 HA GLN A 66 9.000 -10.217 4.056 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.425 -10.273 1.053 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.272 -11.235 2.248 1.00 0.00 H new ATOM 0 HG2 GLN A 66 7.628 -11.848 2.779 1.00 0.00 H new ATOM 0 HG3 GLN A 66 7.611 -11.629 1.041 1.00 0.00 H new ATOM 0 HE21 GLN A 66 10.387 -12.831 2.953 1.00 0.00 H new ATOM 0 HE22 GLN A 66 10.338 -14.479 2.319 1.00 0.00 H new ATOM 954 N ASN A 67 10.777 -8.457 4.161 1.00 0.00 N ATOM 955 CA ASN A 67 11.803 -7.420 4.259 1.00 0.00 C ATOM 956 C ASN A 67 13.025 -7.837 3.453 1.00 0.00 C ATOM 957 O ASN A 67 13.572 -8.922 3.662 1.00 0.00 O ATOM 958 CB ASN A 67 12.190 -7.190 5.720 1.00 0.00 C ATOM 959 CG ASN A 67 13.038 -5.963 5.932 1.00 0.00 C ATOM 960 OD1 ASN A 67 13.764 -5.510 5.049 1.00 0.00 O ATOM 961 ND2 ASN A 67 12.947 -5.424 7.127 1.00 0.00 N ATOM 0 H ASN A 67 10.675 -9.030 4.999 1.00 0.00 H new ATOM 0 HA ASN A 67 11.406 -6.488 3.857 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.283 -7.103 6.318 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.730 -8.063 6.086 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.493 -4.593 7.355 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.330 -5.836 7.827 1.00 0.00 H new ATOM 968 N ALA A 68 13.452 -6.984 2.539 1.00 0.00 N ATOM 969 CA ALA A 68 14.517 -7.338 1.622 1.00 0.00 C ATOM 970 C ALA A 68 15.237 -6.108 1.104 1.00 0.00 C ATOM 971 O ALA A 68 14.763 -4.982 1.268 1.00 0.00 O ATOM 972 CB ALA A 68 13.948 -8.133 0.466 1.00 0.00 C ATOM 0 H ALA A 68 13.078 -6.044 2.413 1.00 0.00 H new ATOM 0 HA ALA A 68 15.244 -7.944 2.162 1.00 0.00 H new ATOM 0 HB1 ALA A 68 14.750 -8.398 -0.223 1.00 0.00 H new ATOM 0 HB2 ALA A 68 13.479 -9.041 0.845 1.00 0.00 H new ATOM 0 HB3 ALA A 68 13.204 -7.532 -0.058 1.00 0.00 H new ATOM 978 N GLU A 69 16.395 -6.331 0.506 1.00 0.00 N ATOM 979 CA GLU A 69 17.149 -5.275 -0.144 1.00 0.00 C ATOM 980 C GLU A 69 17.345 -5.624 -1.621 1.00 0.00 C ATOM 981 O GLU A 69 17.506 -6.794 -1.972 1.00 0.00 O ATOM 982 CB GLU A 69 18.494 -5.076 0.553 1.00 0.00 C ATOM 983 CG GLU A 69 19.373 -4.028 -0.105 1.00 0.00 C ATOM 984 CD GLU A 69 20.570 -3.661 0.739 1.00 0.00 C ATOM 985 OE1 GLU A 69 21.446 -4.525 0.948 1.00 0.00 O ATOM 986 OE2 GLU A 69 20.631 -2.506 1.210 1.00 0.00 O ATOM 0 H GLU A 69 16.838 -7.249 0.458 1.00 0.00 H new ATOM 0 HA GLU A 69 16.595 -4.339 -0.075 1.00 0.00 H new ATOM 0 HB2 GLU A 69 18.317 -4.790 1.590 1.00 0.00 H new ATOM 0 HB3 GLU A 69 19.028 -6.026 0.571 1.00 0.00 H new ATOM 0 HG2 GLU A 69 19.715 -4.400 -1.071 1.00 0.00 H new ATOM 0 HG3 GLU A 69 18.782 -3.133 -0.299 1.00 0.00 H new ATOM 993 N SER A 70 17.314 -4.612 -2.478 1.00 0.00 N ATOM 994 CA SER A 70 17.368 -4.807 -3.917 1.00 0.00 C ATOM 995 C SER A 70 17.779 -3.512 -4.616 1.00 0.00 C ATOM 996 O SER A 70 17.847 -2.463 -3.970 1.00 0.00 O ATOM 997 CB SER A 70 15.994 -5.269 -4.411 1.00 0.00 C ATOM 998 OG SER A 70 15.780 -6.638 -4.105 1.00 0.00 O ATOM 0 H SER A 70 17.251 -3.635 -2.193 1.00 0.00 H new ATOM 0 HA SER A 70 18.112 -5.568 -4.152 1.00 0.00 H new ATOM 0 HB2 SER A 70 15.214 -4.663 -3.949 1.00 0.00 H new ATOM 0 HB3 SER A 70 15.920 -5.117 -5.488 1.00 0.00 H new ATOM 0 HG SER A 70 16.403 -6.917 -3.402 1.00 0.00 H new ATOM 1004 N THR A 71 18.058 -3.581 -5.916 1.00 0.00 N ATOM 1005 CA THR A 71 18.386 -2.390 -6.689 1.00 0.00 C ATOM 1006 C THR A 71 17.227 -1.404 -6.669 1.00 0.00 C ATOM 1007 O THR A 71 17.413 -0.194 -6.500 1.00 0.00 O ATOM 1008 CB THR A 71 18.732 -2.758 -8.140 1.00 0.00 C ATOM 1009 OG1 THR A 71 18.216 -4.066 -8.447 1.00 0.00 O ATOM 1010 CG2 THR A 71 20.233 -2.727 -8.359 1.00 0.00 C ATOM 0 H THR A 71 18.063 -4.448 -6.453 1.00 0.00 H new ATOM 0 HA THR A 71 19.257 -1.922 -6.230 1.00 0.00 H new ATOM 0 HB THR A 71 18.274 -2.025 -8.803 1.00 0.00 H new ATOM 0 HG1 THR A 71 18.437 -4.296 -9.374 1.00 0.00 H new ATOM 0 HG21 THR A 71 20.455 -2.991 -9.393 1.00 0.00 H new ATOM 0 HG22 THR A 71 20.611 -1.726 -8.151 1.00 0.00 H new ATOM 0 HG23 THR A 71 20.713 -3.442 -7.691 1.00 0.00 H new ATOM 1018 N GLU A 72 16.033 -1.937 -6.838 1.00 0.00 N ATOM 1019 CA GLU A 72 14.820 -1.158 -6.695 1.00 0.00 C ATOM 1020 C GLU A 72 14.389 -1.192 -5.247 1.00 0.00 C ATOM 1021 O GLU A 72 14.326 -2.263 -4.648 1.00 0.00 O ATOM 1022 CB GLU A 72 13.703 -1.757 -7.527 1.00 0.00 C ATOM 1023 CG GLU A 72 14.026 -1.897 -8.998 1.00 0.00 C ATOM 1024 CD GLU A 72 13.815 -0.619 -9.774 1.00 0.00 C ATOM 1025 OE1 GLU A 72 14.733 0.219 -9.812 1.00 0.00 O ATOM 1026 OE2 GLU A 72 12.732 -0.464 -10.370 1.00 0.00 O ATOM 0 H GLU A 72 15.877 -2.916 -7.077 1.00 0.00 H new ATOM 0 HA GLU A 72 15.017 -0.139 -7.027 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.455 -2.740 -7.127 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.814 -1.136 -7.420 1.00 0.00 H new ATOM 0 HG2 GLU A 72 15.063 -2.215 -9.108 1.00 0.00 H new ATOM 0 HG3 GLU A 72 13.405 -2.683 -9.427 1.00 0.00 H new ATOM 1033 N ASN A 73 14.087 -0.040 -4.685 1.00 0.00 N ATOM 1034 CA ASN A 73 13.576 0.018 -3.335 1.00 0.00 C ATOM 1035 C ASN A 73 12.180 -0.582 -3.306 1.00 0.00 C ATOM 1036 O ASN A 73 11.753 -1.143 -2.299 1.00 0.00 O ATOM 1037 CB ASN A 73 13.535 1.455 -2.828 1.00 0.00 C ATOM 1038 CG ASN A 73 14.748 2.260 -3.259 1.00 0.00 C ATOM 1039 OD1 ASN A 73 14.753 2.873 -4.326 1.00 0.00 O ATOM 1040 ND2 ASN A 73 15.782 2.275 -2.436 1.00 0.00 N ATOM 0 H ASN A 73 14.187 0.866 -5.143 1.00 0.00 H new ATOM 0 HA ASN A 73 14.239 -0.551 -2.682 1.00 0.00 H new ATOM 0 HB2 ASN A 73 12.631 1.941 -3.196 1.00 0.00 H new ATOM 0 HB3 ASN A 73 13.474 1.451 -1.740 1.00 0.00 H new ATOM 0 HD21 ASN A 73 16.618 2.806 -2.678 1.00 0.00 H new ATOM 0 HD22 ASN A 73 15.744 1.755 -1.559 1.00 0.00 H new ATOM 1047 N SER A 74 11.491 -0.496 -4.441 1.00 0.00 N ATOM 1048 CA SER A 74 10.122 -0.961 -4.536 1.00 0.00 C ATOM 1049 C SER A 74 10.069 -2.462 -4.762 1.00 0.00 C ATOM 1050 O SER A 74 9.109 -3.128 -4.378 1.00 0.00 O ATOM 1051 CB SER A 74 9.404 -0.252 -5.680 1.00 0.00 C ATOM 1052 OG SER A 74 9.582 1.151 -5.612 1.00 0.00 O ATOM 0 H SER A 74 11.865 -0.107 -5.306 1.00 0.00 H new ATOM 0 HA SER A 74 9.625 -0.732 -3.593 1.00 0.00 H new ATOM 0 HB2 SER A 74 9.781 -0.622 -6.633 1.00 0.00 H new ATOM 0 HB3 SER A 74 8.340 -0.487 -5.645 1.00 0.00 H new ATOM 0 HG SER A 74 10.273 1.361 -4.950 1.00 0.00 H new ATOM 1058 N LYS A 75 11.113 -2.996 -5.372 1.00 0.00 N ATOM 1059 CA LYS A 75 11.147 -4.410 -5.698 1.00 0.00 C ATOM 1060 C LYS A 75 11.872 -5.186 -4.608 1.00 0.00 C ATOM 1061 O LYS A 75 12.207 -6.358 -4.778 1.00 0.00 O ATOM 1062 CB LYS A 75 11.797 -4.631 -7.063 1.00 0.00 C ATOM 1063 CG LYS A 75 11.108 -3.859 -8.174 1.00 0.00 C ATOM 1064 CD LYS A 75 11.490 -4.379 -9.543 1.00 0.00 C ATOM 1065 CE LYS A 75 10.670 -3.721 -10.646 1.00 0.00 C ATOM 1066 NZ LYS A 75 10.788 -2.236 -10.640 1.00 0.00 N ATOM 0 H LYS A 75 11.944 -2.474 -5.650 1.00 0.00 H new ATOM 0 HA LYS A 75 10.124 -4.782 -5.753 1.00 0.00 H new ATOM 0 HB2 LYS A 75 12.844 -4.332 -7.014 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.780 -5.695 -7.301 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.028 -3.928 -8.048 1.00 0.00 H new ATOM 0 HG3 LYS A 75 11.371 -2.804 -8.100 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.550 -4.195 -9.719 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.344 -5.459 -9.576 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.996 -4.104 -11.613 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.622 -3.999 -10.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.339 -1.849 -11.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.315 -1.854 -9.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.793 -1.968 -10.625 1.00 0.00 H new ATOM 1080 N LYS A 76 12.103 -4.515 -3.483 1.00 0.00 N ATOM 1081 CA LYS A 76 12.680 -5.158 -2.313 1.00 0.00 C ATOM 1082 C LYS A 76 11.619 -5.921 -1.563 1.00 0.00 C ATOM 1083 O LYS A 76 11.695 -7.134 -1.413 1.00 0.00 O ATOM 1084 CB LYS A 76 13.278 -4.139 -1.352 1.00 0.00 C ATOM 1085 CG LYS A 76 14.427 -3.350 -1.914 1.00 0.00 C ATOM 1086 CD LYS A 76 15.121 -2.583 -0.826 1.00 0.00 C ATOM 1087 CE LYS A 76 16.039 -1.525 -1.392 1.00 0.00 C ATOM 1088 NZ LYS A 76 16.849 -0.854 -0.340 1.00 0.00 N ATOM 0 H LYS A 76 11.898 -3.523 -3.360 1.00 0.00 H new ATOM 0 HA LYS A 76 13.463 -5.826 -2.671 1.00 0.00 H new ATOM 0 HB2 LYS A 76 12.495 -3.446 -1.044 1.00 0.00 H new ATOM 0 HB3 LYS A 76 13.615 -4.659 -0.455 1.00 0.00 H new ATOM 0 HG2 LYS A 76 15.134 -4.022 -2.401 1.00 0.00 H new ATOM 0 HG3 LYS A 76 14.064 -2.662 -2.677 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.379 -2.114 -0.180 1.00 0.00 H new ATOM 0 HD3 LYS A 76 15.696 -3.270 -0.205 1.00 0.00 H new ATOM 0 HE2 LYS A 76 16.706 -1.980 -2.124 1.00 0.00 H new ATOM 0 HE3 LYS A 76 15.446 -0.779 -1.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 16.730 0.176 -0.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 16.531 -1.172 0.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 17.852 -1.097 -0.466 1.00 0.00 H new ATOM 1102 N ILE A 77 10.624 -5.189 -1.092 1.00 0.00 N ATOM 1103 CA ILE A 77 9.606 -5.766 -0.249 1.00 0.00 C ATOM 1104 C ILE A 77 8.613 -6.538 -1.093 1.00 0.00 C ATOM 1105 O ILE A 77 8.151 -6.072 -2.139 1.00 0.00 O ATOM 1106 CB ILE A 77 8.858 -4.697 0.571 1.00 0.00 C ATOM 1107 CG1 ILE A 77 9.846 -3.798 1.316 1.00 0.00 C ATOM 1108 CG2 ILE A 77 7.904 -5.335 1.562 1.00 0.00 C ATOM 1109 CD1 ILE A 77 10.645 -4.519 2.386 1.00 0.00 C ATOM 0 H ILE A 77 10.504 -4.194 -1.282 1.00 0.00 H new ATOM 0 HA ILE A 77 10.105 -6.436 0.451 1.00 0.00 H new ATOM 0 HB ILE A 77 8.281 -4.092 -0.128 1.00 0.00 H new ATOM 0 HG12 ILE A 77 10.536 -3.357 0.596 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.298 -2.976 1.777 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.391 -4.556 2.126 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.171 -5.937 1.025 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.464 -5.971 2.248 1.00 0.00 H new ATOM 0 HD11 ILE A 77 11.323 -3.816 2.869 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.965 -4.936 3.129 1.00 0.00 H new ATOM 0 HD13 ILE A 77 11.222 -5.323 1.929 1.00 0.00 H new ATOM 1121 N ILE A 78 8.307 -7.722 -0.631 1.00 0.00 N ATOM 1122 CA ILE A 78 7.373 -8.599 -1.312 1.00 0.00 C ATOM 1123 C ILE A 78 6.008 -8.474 -0.671 1.00 0.00 C ATOM 1124 O ILE A 78 5.894 -8.504 0.544 1.00 0.00 O ATOM 1125 CB ILE A 78 7.826 -10.081 -1.286 1.00 0.00 C ATOM 1126 CG1 ILE A 78 8.995 -10.309 -2.249 1.00 0.00 C ATOM 1127 CG2 ILE A 78 6.676 -11.021 -1.627 1.00 0.00 C ATOM 1128 CD1 ILE A 78 10.339 -9.886 -1.702 1.00 0.00 C ATOM 0 H ILE A 78 8.695 -8.112 0.228 1.00 0.00 H new ATOM 0 HA ILE A 78 7.334 -8.290 -2.357 1.00 0.00 H new ATOM 0 HB ILE A 78 8.157 -10.303 -0.272 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.037 -11.367 -2.508 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.803 -9.763 -3.172 1.00 0.00 H new ATOM 0 HG21 ILE A 78 7.029 -12.052 -1.600 1.00 0.00 H new ATOM 0 HG22 ILE A 78 5.873 -10.892 -0.901 1.00 0.00 H new ATOM 0 HG23 ILE A 78 6.302 -10.792 -2.625 1.00 0.00 H new ATOM 0 HD11 ILE A 78 11.112 -10.081 -2.445 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.319 -8.821 -1.470 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.557 -10.451 -0.795 1.00 0.00 H new ATOM 1140 N CYS A 79 4.990 -8.294 -1.488 1.00 0.00 N ATOM 1141 CA CYS A 79 3.631 -8.234 -1.005 1.00 0.00 C ATOM 1142 C CYS A 79 2.788 -9.296 -1.675 1.00 0.00 C ATOM 1143 O CYS A 79 2.913 -9.541 -2.875 1.00 0.00 O ATOM 1144 CB CYS A 79 3.054 -6.862 -1.275 1.00 0.00 C ATOM 1145 SG CYS A 79 3.675 -6.125 -2.795 1.00 0.00 S ATOM 0 H CYS A 79 5.083 -8.186 -2.498 1.00 0.00 H new ATOM 0 HA CYS A 79 3.628 -8.417 0.069 1.00 0.00 H new ATOM 0 HB2 CYS A 79 1.968 -6.935 -1.330 1.00 0.00 H new ATOM 0 HB3 CYS A 79 3.287 -6.205 -0.437 1.00 0.00 H new ATOM 0 HG CYS A 79 2.980 -6.561 -3.804 1.00 0.00 H new ATOM 1151 N THR A 80 1.946 -9.938 -0.899 1.00 0.00 N ATOM 1152 CA THR A 80 1.100 -10.981 -1.428 1.00 0.00 C ATOM 1153 C THR A 80 -0.335 -10.900 -0.915 1.00 0.00 C ATOM 1154 O THR A 80 -0.632 -11.319 0.209 1.00 0.00 O ATOM 1155 CB THR A 80 1.673 -12.366 -1.109 1.00 0.00 C ATOM 1156 OG1 THR A 80 2.868 -12.585 -1.869 1.00 0.00 O ATOM 1157 CG2 THR A 80 0.644 -13.430 -1.417 1.00 0.00 C ATOM 0 H THR A 80 1.829 -9.757 0.098 1.00 0.00 H new ATOM 0 HA THR A 80 1.077 -10.829 -2.507 1.00 0.00 H new ATOM 0 HB THR A 80 1.921 -12.419 -0.049 1.00 0.00 H new ATOM 0 HG1 THR A 80 3.231 -13.471 -1.660 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.057 -14.413 -1.188 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.247 -13.261 -0.812 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.379 -13.385 -2.473 1.00 0.00 H new ATOM 1165 N CYS A 81 -1.215 -10.366 -1.737 1.00 0.00 N ATOM 1166 CA CYS A 81 -2.638 -10.491 -1.498 1.00 0.00 C ATOM 1167 C CYS A 81 -3.111 -11.743 -2.221 1.00 0.00 C ATOM 1168 O CYS A 81 -2.641 -12.049 -3.317 1.00 0.00 O ATOM 1169 CB CYS A 81 -3.399 -9.248 -1.966 1.00 0.00 C ATOM 1170 SG CYS A 81 -2.988 -7.742 -1.051 1.00 0.00 S ATOM 0 H CYS A 81 -0.970 -9.841 -2.577 1.00 0.00 H new ATOM 0 HA CYS A 81 -2.835 -10.576 -0.429 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -3.192 -9.085 -3.024 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -4.469 -9.435 -1.875 1.00 0.00 H new ATOM 0 HG CYS A 81 -3.545 -7.782 0.123 1.00 0.00 H new ATOM 1176 N LYS A 82 -4.014 -12.469 -1.603 1.00 0.00 N ATOM 1177 CA LYS A 82 -4.310 -13.824 -2.014 1.00 0.00 C ATOM 1178 C LYS A 82 -5.749 -13.975 -2.488 1.00 0.00 C ATOM 1179 O LYS A 82 -6.476 -12.998 -2.616 1.00 0.00 O ATOM 1180 CB LYS A 82 -4.030 -14.758 -0.847 1.00 0.00 C ATOM 1181 CG LYS A 82 -2.570 -14.760 -0.426 1.00 0.00 C ATOM 1182 CD LYS A 82 -2.369 -15.495 0.884 1.00 0.00 C ATOM 1183 CE LYS A 82 -3.113 -14.815 2.021 1.00 0.00 C ATOM 1184 NZ LYS A 82 -2.571 -13.460 2.325 1.00 0.00 N ATOM 0 H LYS A 82 -4.561 -12.141 -0.807 1.00 0.00 H new ATOM 0 HA LYS A 82 -3.673 -14.080 -2.861 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -4.647 -14.465 0.002 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.325 -15.771 -1.121 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.967 -15.229 -1.203 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.218 -13.733 -0.326 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -2.717 -16.523 0.783 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -1.305 -15.540 1.118 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -4.169 -14.731 1.762 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -3.052 -15.436 2.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.992 -13.108 3.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.538 -13.515 2.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.804 -12.810 1.547 1.00 0.00 H new ATOM 1198 N GLU A 83 -6.144 -15.201 -2.762 1.00 0.00 N ATOM 1199 CA GLU A 83 -7.495 -15.494 -3.229 1.00 0.00 C ATOM 1200 C GLU A 83 -8.583 -15.009 -2.251 1.00 0.00 C ATOM 1201 O GLU A 83 -9.587 -14.446 -2.694 1.00 0.00 O ATOM 1202 CB GLU A 83 -7.627 -16.991 -3.484 1.00 0.00 C ATOM 1203 CG GLU A 83 -8.913 -17.412 -4.168 1.00 0.00 C ATOM 1204 CD GLU A 83 -8.953 -18.903 -4.400 1.00 0.00 C ATOM 1205 OE1 GLU A 83 -8.481 -19.358 -5.463 1.00 0.00 O ATOM 1206 OE2 GLU A 83 -9.423 -19.632 -3.505 1.00 0.00 O ATOM 0 H GLU A 83 -5.546 -16.022 -2.670 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.652 -14.944 -4.157 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.785 -17.316 -4.095 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.551 -17.515 -2.531 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.765 -17.115 -3.557 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -9.007 -16.892 -5.121 1.00 0.00 H new ATOM 1213 N PRO A 84 -8.427 -15.204 -0.918 1.00 0.00 N ATOM 1214 CA PRO A 84 -9.403 -14.703 0.063 1.00 0.00 C ATOM 1215 C PRO A 84 -9.435 -13.178 0.145 1.00 0.00 C ATOM 1216 O PRO A 84 -10.128 -12.606 0.985 1.00 0.00 O ATOM 1217 CB PRO A 84 -8.916 -15.283 1.392 1.00 0.00 C ATOM 1218 CG PRO A 84 -7.476 -15.573 1.183 1.00 0.00 C ATOM 1219 CD PRO A 84 -7.338 -15.949 -0.258 1.00 0.00 C ATOM 0 HA PRO A 84 -10.417 -14.997 -0.207 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -9.061 -14.575 2.208 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -9.466 -16.187 1.653 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -6.864 -14.703 1.420 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -7.143 -16.383 1.832 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -6.362 -15.667 -0.654 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -7.443 -17.024 -0.403 1.00 0.00 H new ATOM 1227 N THR A 85 -8.685 -12.519 -0.723 1.00 0.00 N ATOM 1228 CA THR A 85 -8.627 -11.073 -0.712 1.00 0.00 C ATOM 1229 C THR A 85 -8.897 -10.513 -2.110 1.00 0.00 C ATOM 1230 O THR A 85 -8.083 -10.664 -3.017 1.00 0.00 O ATOM 1231 CB THR A 85 -7.269 -10.560 -0.173 1.00 0.00 C ATOM 1232 OG1 THR A 85 -6.186 -11.169 -0.870 1.00 0.00 O ATOM 1233 CG2 THR A 85 -7.127 -10.844 1.312 1.00 0.00 C ATOM 0 H THR A 85 -8.111 -12.963 -1.440 1.00 0.00 H new ATOM 0 HA THR A 85 -9.405 -10.717 -0.037 1.00 0.00 H new ATOM 0 HB THR A 85 -7.242 -9.482 -0.333 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.509 -11.537 -1.719 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.164 -10.473 1.663 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.929 -10.345 1.856 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.186 -11.919 1.484 1.00 0.00 H new ATOM 1241 N PRO A 86 -10.080 -9.875 -2.277 1.00 0.00 N ATOM 1242 CA PRO A 86 -10.560 -9.297 -3.547 1.00 0.00 C ATOM 1243 C PRO A 86 -9.485 -8.678 -4.479 1.00 0.00 C ATOM 1244 O PRO A 86 -9.569 -8.872 -5.689 1.00 0.00 O ATOM 1245 CB PRO A 86 -11.568 -8.253 -3.040 1.00 0.00 C ATOM 1246 CG PRO A 86 -12.201 -8.933 -1.886 1.00 0.00 C ATOM 1247 CD PRO A 86 -11.095 -9.690 -1.207 1.00 0.00 C ATOM 0 HA PRO A 86 -10.965 -10.064 -4.206 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -11.075 -7.328 -2.742 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -12.299 -7.993 -3.806 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -12.656 -8.212 -1.207 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -12.993 -9.606 -2.214 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -10.689 -9.133 -0.363 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -11.445 -10.646 -0.819 1.00 0.00 H new ATOM 1255 N ASN A 87 -8.484 -7.952 -3.954 1.00 0.00 N ATOM 1256 CA ASN A 87 -7.464 -7.341 -4.828 1.00 0.00 C ATOM 1257 C ASN A 87 -6.152 -7.050 -4.104 1.00 0.00 C ATOM 1258 O ASN A 87 -6.113 -7.000 -2.882 1.00 0.00 O ATOM 1259 CB ASN A 87 -7.984 -6.036 -5.429 1.00 0.00 C ATOM 1260 CG ASN A 87 -7.059 -5.450 -6.484 1.00 0.00 C ATOM 1261 OD1 ASN A 87 -6.475 -6.172 -7.293 1.00 0.00 O ATOM 1262 ND2 ASN A 87 -6.903 -4.135 -6.463 1.00 0.00 N ATOM 0 H ASN A 87 -8.358 -7.776 -2.957 1.00 0.00 H new ATOM 0 HA ASN A 87 -7.264 -8.074 -5.610 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -8.964 -6.213 -5.873 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -8.123 -5.306 -4.631 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -6.280 -3.685 -7.134 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -7.406 -3.573 -5.776 1.00 0.00 H new ATOM 1269 N ALA A 88 -5.082 -6.886 -4.888 1.00 0.00 N ATOM 1270 CA ALA A 88 -3.836 -6.288 -4.417 1.00 0.00 C ATOM 1271 C ALA A 88 -3.582 -4.998 -5.190 1.00 0.00 C ATOM 1272 O ALA A 88 -3.259 -5.021 -6.381 1.00 0.00 O ATOM 1273 CB ALA A 88 -2.661 -7.241 -4.583 1.00 0.00 C ATOM 0 H ALA A 88 -5.059 -7.166 -5.869 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.933 -6.073 -3.353 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.751 -6.762 -4.222 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.845 -8.149 -4.009 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -2.544 -7.495 -5.637 1.00 0.00 H new ATOM 1279 N TYR A 89 -3.748 -3.879 -4.512 1.00 0.00 N ATOM 1280 CA TYR A 89 -3.615 -2.576 -5.104 1.00 0.00 C ATOM 1281 C TYR A 89 -2.158 -2.155 -5.107 1.00 0.00 C ATOM 1282 O TYR A 89 -1.483 -2.290 -4.087 1.00 0.00 O ATOM 1283 CB TYR A 89 -4.421 -1.621 -4.257 1.00 0.00 C ATOM 1284 CG TYR A 89 -5.255 -0.658 -5.017 1.00 0.00 C ATOM 1285 CD1 TYR A 89 -4.743 0.535 -5.501 1.00 0.00 C ATOM 1286 CD2 TYR A 89 -6.578 -0.934 -5.207 1.00 0.00 C ATOM 1287 CE1 TYR A 89 -5.551 1.426 -6.177 1.00 0.00 C ATOM 1288 CE2 TYR A 89 -7.389 -0.061 -5.864 1.00 0.00 C ATOM 1289 CZ TYR A 89 -6.882 1.124 -6.356 1.00 0.00 C ATOM 1290 OH TYR A 89 -7.705 2.007 -7.017 1.00 0.00 O ATOM 0 H TYR A 89 -3.983 -3.857 -3.520 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.970 -2.580 -6.135 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -5.070 -2.201 -3.600 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -3.738 -1.061 -3.618 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.700 0.770 -5.347 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -6.988 -1.860 -4.830 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -5.144 2.350 -6.561 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -8.434 -0.297 -6.001 1.00 0.00 H new ATOM 0 HH TYR A 89 -7.512 2.920 -6.719 1.00 0.00 H new ATOM 1300 N TYR A 90 -1.677 -1.652 -6.239 1.00 0.00 N ATOM 1301 CA TYR A 90 -0.281 -1.243 -6.369 1.00 0.00 C ATOM 1302 C TYR A 90 0.647 -2.379 -5.991 1.00 0.00 C ATOM 1303 O TYR A 90 1.479 -2.246 -5.101 1.00 0.00 O ATOM 1304 CB TYR A 90 0.009 0.015 -5.537 1.00 0.00 C ATOM 1305 CG TYR A 90 -0.490 1.276 -6.211 1.00 0.00 C ATOM 1306 CD1 TYR A 90 0.293 1.933 -7.151 1.00 0.00 C ATOM 1307 CD2 TYR A 90 -1.744 1.794 -5.928 1.00 0.00 C ATOM 1308 CE1 TYR A 90 -0.159 3.073 -7.787 1.00 0.00 C ATOM 1309 CE2 TYR A 90 -2.206 2.931 -6.564 1.00 0.00 C ATOM 1310 CZ TYR A 90 -1.409 3.569 -7.492 1.00 0.00 C ATOM 1311 OH TYR A 90 -1.867 4.698 -8.132 1.00 0.00 O ATOM 0 H TYR A 90 -2.234 -1.517 -7.083 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.098 -0.993 -7.414 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -0.462 -0.082 -4.559 1.00 0.00 H new ATOM 0 HB3 TYR A 90 1.083 0.097 -5.367 1.00 0.00 H new ATOM 0 HD1 TYR A 90 1.273 1.546 -7.389 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.370 1.301 -5.199 1.00 0.00 H new ATOM 0 HE1 TYR A 90 0.466 3.573 -8.513 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -3.188 3.319 -6.335 1.00 0.00 H new ATOM 0 HH TYR A 90 -2.767 4.914 -7.810 1.00 0.00 H new ATOM 1321 N GLU A 91 0.460 -3.508 -6.669 1.00 0.00 N ATOM 1322 CA GLU A 91 1.329 -4.670 -6.538 1.00 0.00 C ATOM 1323 C GLU A 91 1.185 -5.356 -5.180 1.00 0.00 C ATOM 1324 O GLU A 91 1.724 -6.443 -4.970 1.00 0.00 O ATOM 1325 CB GLU A 91 2.777 -4.246 -6.766 1.00 0.00 C ATOM 1326 CG GLU A 91 2.956 -3.339 -7.970 1.00 0.00 C ATOM 1327 CD GLU A 91 3.013 -4.098 -9.278 1.00 0.00 C ATOM 1328 OE1 GLU A 91 1.939 -4.476 -9.795 1.00 0.00 O ATOM 1329 OE2 GLU A 91 4.126 -4.308 -9.806 1.00 0.00 O ATOM 0 H GLU A 91 -0.306 -3.642 -7.330 1.00 0.00 H new ATOM 0 HA GLU A 91 1.029 -5.398 -7.292 1.00 0.00 H new ATOM 0 HB2 GLU A 91 3.142 -3.733 -5.876 1.00 0.00 H new ATOM 0 HB3 GLU A 91 3.393 -5.136 -6.896 1.00 0.00 H new ATOM 0 HG2 GLU A 91 2.133 -2.625 -8.006 1.00 0.00 H new ATOM 0 HG3 GLU A 91 3.873 -2.762 -7.851 1.00 0.00 H new ATOM 1336 N GLY A 92 0.444 -4.740 -4.272 1.00 0.00 N ATOM 1337 CA GLY A 92 0.323 -5.281 -2.937 1.00 0.00 C ATOM 1338 C GLY A 92 0.460 -4.228 -1.852 1.00 0.00 C ATOM 1339 O GLY A 92 0.666 -4.570 -0.693 1.00 0.00 O ATOM 0 H GLY A 92 -0.074 -3.877 -4.436 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.645 -5.773 -2.837 1.00 0.00 H new ATOM 0 HA3 GLY A 92 1.086 -6.046 -2.791 1.00 0.00 H new ATOM 1343 N VAL A 93 0.362 -2.949 -2.217 1.00 0.00 N ATOM 1344 CA VAL A 93 0.387 -1.877 -1.223 1.00 0.00 C ATOM 1345 C VAL A 93 -0.948 -1.835 -0.494 1.00 0.00 C ATOM 1346 O VAL A 93 -1.040 -1.424 0.663 1.00 0.00 O ATOM 1347 CB VAL A 93 0.680 -0.493 -1.856 1.00 0.00 C ATOM 1348 CG1 VAL A 93 0.865 0.575 -0.790 1.00 0.00 C ATOM 1349 CG2 VAL A 93 1.910 -0.559 -2.747 1.00 0.00 C ATOM 0 H VAL A 93 0.266 -2.633 -3.182 1.00 0.00 H new ATOM 0 HA VAL A 93 1.196 -2.092 -0.525 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.182 -0.221 -2.465 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.069 1.534 -1.267 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.043 0.653 -0.192 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.702 0.305 -0.146 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.098 0.423 -3.181 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.772 -0.865 -2.155 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.743 -1.283 -3.545 1.00 0.00 H new ATOM 1359 N PHE A 94 -1.988 -2.269 -1.191 1.00 0.00 N ATOM 1360 CA PHE A 94 -3.319 -2.374 -0.608 1.00 0.00 C ATOM 1361 C PHE A 94 -4.049 -3.528 -1.226 1.00 0.00 C ATOM 1362 O PHE A 94 -3.480 -4.363 -1.923 1.00 0.00 O ATOM 1363 CB PHE A 94 -4.193 -1.124 -0.835 1.00 0.00 C ATOM 1364 CG PHE A 94 -3.443 0.154 -0.917 1.00 0.00 C ATOM 1365 CD1 PHE A 94 -2.682 0.434 -2.026 1.00 0.00 C ATOM 1366 CD2 PHE A 94 -3.504 1.075 0.104 1.00 0.00 C ATOM 1367 CE1 PHE A 94 -1.990 1.592 -2.124 1.00 0.00 C ATOM 1368 CE2 PHE A 94 -2.809 2.253 0.015 1.00 0.00 C ATOM 1369 CZ PHE A 94 -2.049 2.512 -1.100 1.00 0.00 C ATOM 0 H PHE A 94 -1.935 -2.556 -2.168 1.00 0.00 H new ATOM 0 HA PHE A 94 -3.162 -2.500 0.463 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -4.759 -1.256 -1.757 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -4.917 -1.052 -0.024 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -2.636 -0.282 -2.833 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -4.102 0.869 0.979 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -1.394 1.795 -3.001 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -2.859 2.974 0.817 1.00 0.00 H new ATOM 0 HZ PHE A 94 -1.497 3.438 -1.174 1.00 0.00 H new ATOM 1379 N CYS A 95 -5.316 -3.534 -0.948 1.00 0.00 N ATOM 1380 CA CYS A 95 -6.240 -4.477 -1.479 1.00 0.00 C ATOM 1381 C CYS A 95 -7.463 -3.686 -1.948 1.00 0.00 C ATOM 1382 O CYS A 95 -7.511 -2.492 -1.726 1.00 0.00 O ATOM 1383 CB CYS A 95 -6.554 -5.490 -0.383 1.00 0.00 C ATOM 1384 SG CYS A 95 -7.006 -4.747 1.201 1.00 0.00 S ATOM 0 H CYS A 95 -5.747 -2.855 -0.321 1.00 0.00 H new ATOM 0 HA CYS A 95 -5.854 -5.036 -2.331 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -7.370 -6.130 -0.718 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -5.685 -6.132 -0.236 1.00 0.00 H new ATOM 0 HG CYS A 95 -5.930 -4.370 1.826 1.00 0.00 H new ATOM 1390 N SER A 96 -8.390 -4.299 -2.663 1.00 0.00 N ATOM 1391 CA SER A 96 -9.598 -3.601 -3.108 1.00 0.00 C ATOM 1392 C SER A 96 -10.616 -4.581 -3.671 1.00 0.00 C ATOM 1393 O SER A 96 -10.305 -5.739 -3.889 1.00 0.00 O ATOM 1394 CB SER A 96 -9.275 -2.538 -4.148 1.00 0.00 C ATOM 1395 OG SER A 96 -9.167 -1.263 -3.545 1.00 0.00 O ATOM 0 H SER A 96 -8.336 -5.276 -2.951 1.00 0.00 H new ATOM 0 HA SER A 96 -10.027 -3.109 -2.235 1.00 0.00 H new ATOM 0 HB2 SER A 96 -8.341 -2.787 -4.652 1.00 0.00 H new ATOM 0 HB3 SER A 96 -10.054 -2.520 -4.910 1.00 0.00 H new ATOM 0 HG SER A 96 -8.512 -0.724 -4.035 1.00 0.00 H new ATOM 1401 N SER A 97 -11.847 -4.129 -3.864 1.00 0.00 N ATOM 1402 CA SER A 97 -12.890 -4.997 -4.388 1.00 0.00 C ATOM 1403 C SER A 97 -12.753 -5.092 -5.894 1.00 0.00 C ATOM 1404 O SER A 97 -13.709 -4.879 -6.642 1.00 0.00 O ATOM 1405 CB SER A 97 -14.275 -4.475 -4.013 1.00 0.00 C ATOM 1406 OG SER A 97 -15.295 -5.380 -4.398 1.00 0.00 O ATOM 0 H SER A 97 -12.146 -3.174 -3.667 1.00 0.00 H new ATOM 0 HA SER A 97 -12.777 -5.988 -3.949 1.00 0.00 H new ATOM 0 HB2 SER A 97 -14.323 -4.308 -2.937 1.00 0.00 H new ATOM 0 HB3 SER A 97 -14.443 -3.511 -4.493 1.00 0.00 H new ATOM 0 HG SER A 97 -15.283 -5.491 -5.372 1.00 0.00 H new