USER MOD reduce.3.24.130724 H: found=0, std=0, add=1164, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 1155 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 32 LYS NZ :NH3+ -128:sc= 1.23 (180deg=0.947) USER MOD Set 1.2: C 50 HIS : +bothHN:sc= -2.1! C(o=-0.87!,f=-14!) USER MOD Set 2.1: A 50 HIS : +bothHN:sc= -2.13! C(o=-0.94!,f=-13!) USER MOD Set 2.2: C 32 LYS NZ :NH3+ -152:sc= 1.19 (180deg=0.867) USER MOD Set 3.1: C 12 CYS SG : rot 148:sc= -5.65! USER MOD Set 3.2: C 15 CYS SG : rot -149:sc= -1.16! USER MOD Set 3.3: C 26 CYS SG : rot -164:sc= 0.535! USER MOD Set 3.4: C 29 CYS SG : rot -23:sc= -0.987! USER MOD Set 4.1: B 12 CYS SG : rot 143:sc= -5.5! USER MOD Set 4.2: B 15 CYS SG : rot -147:sc= -1.49! USER MOD Set 4.3: B 26 CYS SG : rot -158:sc= 0.418! USER MOD Set 4.4: B 29 CYS SG : rot -11:sc= -1.45! USER MOD Set 5.1: A 32 LYS NZ :NH3+ -147:sc= 1.22 (180deg=0.751) USER MOD Set 5.2: B 50 HIS : +bothHN:sc= -2.19! C(o=-0.97!,f=-13!) USER MOD Set 6.1: A 12 CYS SG : rot 157:sc= -5.53! USER MOD Set 6.2: A 15 CYS SG : rot -121:sc= -0.634! USER MOD Set 6.3: A 26 CYS SG : rot -115:sc= -1.45 USER MOD Set 6.4: A 29 CYS SG : rot 108:sc= -1.06! USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00135 USER MOD Single : A 14 LYS NZ :NH3+ 149:sc= -1.33 (180deg=-3.01!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -170:sc= -0.651 USER MOD Single : A 39 GLN : amide:sc= -0.244 X(o=-0.24,f=-0.71) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 69:sc= 0.557 USER MOD Single : A 48 GLN : amide:sc= -0.0331 K(o=-0.033,f=-0.7) USER MOD Single : A 49 LYS NZ :NH3+ -164:sc= 1.09 (180deg=0.833) USER MOD Single : A 52 ASN :FLIP amide:sc= -1.3 F(o=-2.3,f=-1.3) USER MOD Single : A 53 LYS NZ :NH3+ 166:sc= 0.687 (180deg=0.271) USER MOD Single : B 5 THR OG1 : rot 180:sc= 0.00186 USER MOD Single : B 14 LYS NZ :NH3+ 150:sc= -0.905 (180deg=-2.42!) USER MOD Single : B 24 THR OG1 : rot 180:sc= 0 USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 37 THR OG1 : rot -166:sc= -0.3 USER MOD Single : B 39 GLN : amide:sc= -0.133 K(o=-0.13,f=-0.65) USER MOD Single : B 41 TYR OH : rot 180:sc= 0 USER MOD Single : B 42 THR OG1 : rot 72:sc= 0.596 USER MOD Single : B 48 GLN : amide:sc= -0.161 K(o=-0.16,f=-0.81) USER MOD Single : B 49 LYS NZ :NH3+ -161:sc= 1.13 (180deg=0.81) USER MOD Single : B 52 ASN :FLIP amide:sc= -1.21 F(o=-2.4,f=-1.2) USER MOD Single : B 53 LYS NZ :NH3+ 167:sc= 0.77 (180deg=0.405) USER MOD Single : C 5 THR OG1 : rot 180:sc=0.000589 USER MOD Single : C 14 LYS NZ :NH3+ 148:sc= -1.02 (180deg=-2.57!) USER MOD Single : C 24 THR OG1 : rot 180:sc= 0 USER MOD Single : C 30 SER OG : rot 180:sc= 0 USER MOD Single : C 37 THR OG1 : rot -168:sc= -0.413 USER MOD Single : C 39 GLN : amide:sc= -0.0721 K(o=-0.072,f=-0.61) USER MOD Single : C 41 TYR OH : rot 180:sc= 0 USER MOD Single : C 42 THR OG1 : rot 71:sc= 0.656 USER MOD Single : C 48 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.6) USER MOD Single : C 49 LYS NZ :NH3+ -169:sc= 1.12 (180deg=0.977) USER MOD Single : C 52 ASN :FLIP amide:sc= -1.08 F(o=-2.2,f=-1.1) USER MOD Single : C 53 LYS NZ :NH3+ 168:sc= 0.752 (180deg=0.464) USER MOD ----------------------------------------------------------------- ATOM 21 N VAL A 2 -0.525 -9.210 13.827 1.00 0.00 N ATOM 22 CA VAL A 2 -1.328 -8.480 14.795 1.00 0.00 C ATOM 23 C VAL A 2 -2.405 -7.696 14.048 1.00 0.00 C ATOM 24 O VAL A 2 -3.378 -7.214 14.627 1.00 0.00 O ATOM 25 CB VAL A 2 -0.452 -7.523 15.641 1.00 0.00 C ATOM 26 CG1 VAL A 2 0.165 -6.432 14.775 1.00 0.00 C ATOM 27 CG2 VAL A 2 -1.248 -6.916 16.788 1.00 0.00 C ATOM 0 HA VAL A 2 -1.793 -9.189 15.480 1.00 0.00 H new ATOM 0 HB VAL A 2 0.359 -8.112 16.069 1.00 0.00 H new ATOM 0 HG11 VAL A 2 0.774 -5.776 15.396 1.00 0.00 H new ATOM 0 HG12 VAL A 2 0.790 -6.887 14.006 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -0.627 -5.852 14.302 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -0.606 -6.249 17.363 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -2.091 -6.353 16.388 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -1.618 -7.711 17.435 1.00 0.00 H new ATOM 37 N ILE A 3 -2.216 -7.599 12.740 1.00 0.00 N ATOM 38 CA ILE A 3 -3.178 -6.961 11.866 1.00 0.00 C ATOM 39 C ILE A 3 -3.803 -7.999 10.940 1.00 0.00 C ATOM 40 O ILE A 3 -3.105 -8.854 10.399 1.00 0.00 O ATOM 41 CB ILE A 3 -2.529 -5.830 11.028 1.00 0.00 C ATOM 42 CG1 ILE A 3 -3.596 -5.103 10.204 1.00 0.00 C ATOM 43 CG2 ILE A 3 -1.433 -6.382 10.119 1.00 0.00 C ATOM 44 CD1 ILE A 3 -3.075 -3.894 9.460 1.00 0.00 C ATOM 0 H ILE A 3 -1.392 -7.961 12.260 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.950 -6.512 12.490 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.069 -5.117 11.713 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -4.026 -5.802 9.486 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -4.403 -4.790 10.867 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.994 -5.568 9.542 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.660 -6.854 10.726 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.861 -7.119 9.439 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.889 -3.433 8.900 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.671 -3.174 10.172 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.289 -4.202 8.771 1.00 0.00 H new ATOM 56 N ALA A 4 -5.114 -7.952 10.803 1.00 0.00 N ATOM 57 CA ALA A 4 -5.811 -8.831 9.883 1.00 0.00 C ATOM 58 C ALA A 4 -6.701 -8.018 8.960 1.00 0.00 C ATOM 59 O ALA A 4 -7.187 -6.946 9.328 1.00 0.00 O ATOM 60 CB ALA A 4 -6.623 -9.861 10.650 1.00 0.00 C ATOM 0 H ALA A 4 -5.719 -7.313 11.318 1.00 0.00 H new ATOM 0 HA ALA A 4 -5.078 -9.362 9.275 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -7.140 -10.513 9.947 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -5.958 -10.456 11.275 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -7.354 -9.353 11.279 1.00 0.00 H new ATOM 66 N THR A 5 -6.916 -8.542 7.761 1.00 0.00 N ATOM 67 CA THR A 5 -7.650 -7.839 6.719 1.00 0.00 C ATOM 68 C THR A 5 -9.129 -7.680 7.084 1.00 0.00 C ATOM 69 O THR A 5 -9.853 -6.925 6.443 1.00 0.00 O ATOM 70 CB THR A 5 -7.528 -8.597 5.381 1.00 0.00 C ATOM 71 OG1 THR A 5 -6.188 -9.087 5.228 1.00 0.00 O ATOM 72 CG2 THR A 5 -7.866 -7.695 4.202 1.00 0.00 C ATOM 0 H THR A 5 -6.586 -9.467 7.484 1.00 0.00 H new ATOM 0 HA THR A 5 -7.214 -6.845 6.620 1.00 0.00 H new ATOM 0 HB THR A 5 -8.235 -9.426 5.396 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.111 -9.570 4.379 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.771 -8.258 3.274 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.889 -7.332 4.303 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.181 -6.848 4.184 1.00 0.00 H new ATOM 80 N ASP A 6 -9.555 -8.355 8.147 1.00 0.00 N ATOM 81 CA ASP A 6 -10.959 -8.338 8.559 1.00 0.00 C ATOM 82 C ASP A 6 -11.289 -7.076 9.342 1.00 0.00 C ATOM 83 O ASP A 6 -12.457 -6.787 9.600 1.00 0.00 O ATOM 84 CB ASP A 6 -11.289 -9.549 9.437 1.00 0.00 C ATOM 85 CG ASP A 6 -11.073 -10.871 8.738 1.00 0.00 C ATOM 86 OD1 ASP A 6 -11.999 -11.346 8.052 1.00 0.00 O ATOM 87 OD2 ASP A 6 -9.975 -11.450 8.888 1.00 0.00 O ATOM 0 H ASP A 6 -8.949 -8.922 8.741 1.00 0.00 H new ATOM 0 HA ASP A 6 -11.555 -8.369 7.647 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.673 -9.516 10.336 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -12.328 -9.482 9.760 1.00 0.00 H new ATOM 92 N ASP A 7 -10.263 -6.328 9.729 1.00 0.00 N ATOM 93 CA ASP A 7 -10.472 -5.090 10.472 1.00 0.00 C ATOM 94 C ASP A 7 -10.253 -3.873 9.582 1.00 0.00 C ATOM 95 O ASP A 7 -10.503 -2.737 9.993 1.00 0.00 O ATOM 96 CB ASP A 7 -9.530 -5.020 11.682 1.00 0.00 C ATOM 97 CG ASP A 7 -9.822 -6.089 12.718 1.00 0.00 C ATOM 98 OD1 ASP A 7 -9.274 -7.204 12.600 1.00 0.00 O ATOM 99 OD2 ASP A 7 -10.602 -5.818 13.657 1.00 0.00 O ATOM 0 H ASP A 7 -9.286 -6.554 9.543 1.00 0.00 H new ATOM 0 HA ASP A 7 -11.504 -5.085 10.822 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -8.500 -5.123 11.341 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -9.615 -4.038 12.147 1.00 0.00 H new ATOM 104 N LEU A 8 -9.788 -4.106 8.360 1.00 0.00 N ATOM 105 CA LEU A 8 -9.545 -3.015 7.422 1.00 0.00 C ATOM 106 C LEU A 8 -10.420 -3.157 6.188 1.00 0.00 C ATOM 107 O LEU A 8 -10.653 -2.189 5.461 1.00 0.00 O ATOM 108 CB LEU A 8 -8.073 -2.940 7.025 1.00 0.00 C ATOM 109 CG LEU A 8 -7.137 -2.454 8.130 1.00 0.00 C ATOM 110 CD1 LEU A 8 -6.823 -3.568 9.113 1.00 0.00 C ATOM 111 CD2 LEU A 8 -5.863 -1.892 7.532 1.00 0.00 C ATOM 0 H LEU A 8 -9.573 -5.034 7.997 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.806 -2.085 7.926 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.748 -3.928 6.701 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.976 -2.275 6.167 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.644 -1.660 8.679 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.155 -3.192 9.888 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.747 -3.921 9.571 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.341 -4.392 8.587 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.206 -1.550 8.331 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.359 -2.667 6.955 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.106 -1.054 6.879 1.00 0.00 H new ATOM 123 N GLU A 9 -10.909 -4.365 5.974 1.00 0.00 N ATOM 124 CA GLU A 9 -11.868 -4.627 4.919 1.00 0.00 C ATOM 125 C GLU A 9 -12.918 -5.607 5.422 1.00 0.00 C ATOM 126 O GLU A 9 -12.610 -6.586 6.099 1.00 0.00 O ATOM 127 CB GLU A 9 -11.207 -5.145 3.628 1.00 0.00 C ATOM 128 CG GLU A 9 -10.366 -4.096 2.905 1.00 0.00 C ATOM 129 CD GLU A 9 -10.303 -4.300 1.399 1.00 0.00 C ATOM 130 OE1 GLU A 9 -9.528 -5.159 0.932 1.00 0.00 O ATOM 131 OE2 GLU A 9 -11.009 -3.570 0.658 1.00 0.00 O ATOM 0 H GLU A 9 -10.654 -5.186 6.523 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.342 -3.681 4.659 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.575 -5.999 3.871 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.983 -5.505 2.952 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.776 -3.107 3.113 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.354 -4.113 3.308 1.00 0.00 H new ATOM 138 N VAL A 10 -14.154 -5.330 5.083 1.00 0.00 N ATOM 139 CA VAL A 10 -15.283 -6.089 5.567 1.00 0.00 C ATOM 140 C VAL A 10 -16.140 -6.473 4.383 1.00 0.00 C ATOM 141 O VAL A 10 -16.187 -5.753 3.388 1.00 0.00 O ATOM 142 CB VAL A 10 -16.113 -5.274 6.591 1.00 0.00 C ATOM 143 CG1 VAL A 10 -16.555 -3.941 6.004 1.00 0.00 C ATOM 144 CG2 VAL A 10 -17.322 -6.058 7.083 1.00 0.00 C ATOM 0 H VAL A 10 -14.407 -4.565 4.458 1.00 0.00 H new ATOM 0 HA VAL A 10 -14.924 -6.981 6.080 1.00 0.00 H new ATOM 0 HB VAL A 10 -15.465 -5.079 7.445 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -17.135 -3.392 6.745 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -15.678 -3.358 5.725 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -17.169 -4.118 5.121 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -17.880 -5.455 7.799 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -17.965 -6.304 6.238 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -16.988 -6.977 7.565 1.00 0.00 H new ATOM 154 N ALA A 11 -16.792 -7.612 4.469 1.00 0.00 N ATOM 155 CA ALA A 11 -17.593 -8.080 3.364 1.00 0.00 C ATOM 156 C ALA A 11 -18.755 -7.131 3.100 1.00 0.00 C ATOM 157 O ALA A 11 -19.461 -6.732 4.026 1.00 0.00 O ATOM 158 CB ALA A 11 -18.091 -9.477 3.663 1.00 0.00 C ATOM 0 H ALA A 11 -16.783 -8.224 5.285 1.00 0.00 H new ATOM 0 HA ALA A 11 -16.981 -8.107 2.463 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -18.697 -9.833 2.830 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -17.241 -10.144 3.805 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -18.695 -9.462 4.570 1.00 0.00 H new ATOM 164 N CYS A 12 -18.942 -6.784 1.819 1.00 0.00 N ATOM 165 CA CYS A 12 -19.852 -5.715 1.387 1.00 0.00 C ATOM 166 C CYS A 12 -21.317 -6.065 1.657 1.00 0.00 C ATOM 167 O CYS A 12 -21.625 -7.232 1.873 1.00 0.00 O ATOM 168 CB CYS A 12 -19.600 -5.479 -0.125 1.00 0.00 C ATOM 169 SG CYS A 12 -20.725 -4.353 -0.984 1.00 0.00 S ATOM 0 H CYS A 12 -18.460 -7.243 1.046 1.00 0.00 H new ATOM 0 HA CYS A 12 -19.654 -4.807 1.956 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -18.586 -5.098 -0.243 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -19.639 -6.445 -0.629 1.00 0.00 H new ATOM 0 HG CYS A 12 -20.140 -3.879 -2.044 1.00 0.00 H new ATOM 174 N PRO A 13 -22.233 -5.058 1.680 1.00 0.00 N ATOM 175 CA PRO A 13 -23.680 -5.276 1.798 1.00 0.00 C ATOM 176 C PRO A 13 -24.189 -6.563 1.148 1.00 0.00 C ATOM 177 O PRO A 13 -24.966 -7.307 1.744 1.00 0.00 O ATOM 178 CB PRO A 13 -24.237 -4.055 1.061 1.00 0.00 C ATOM 179 CG PRO A 13 -23.286 -2.954 1.394 1.00 0.00 C ATOM 180 CD PRO A 13 -21.939 -3.607 1.663 1.00 0.00 C ATOM 0 HA PRO A 13 -23.985 -5.386 2.839 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -24.284 -4.227 -0.014 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -25.249 -3.819 1.391 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -23.214 -2.243 0.571 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -23.628 -2.398 2.267 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -21.214 -3.357 0.888 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -21.518 -3.275 2.612 1.00 0.00 H new ATOM 188 N LYS A 14 -23.721 -6.849 -0.059 1.00 0.00 N ATOM 189 CA LYS A 14 -24.278 -7.977 -0.786 1.00 0.00 C ATOM 190 C LYS A 14 -23.421 -8.475 -1.931 1.00 0.00 C ATOM 191 O LYS A 14 -23.849 -9.384 -2.638 1.00 0.00 O ATOM 192 CB LYS A 14 -25.676 -7.660 -1.326 1.00 0.00 C ATOM 193 CG LYS A 14 -25.693 -6.525 -2.330 1.00 0.00 C ATOM 194 CD LYS A 14 -27.043 -6.389 -3.031 1.00 0.00 C ATOM 195 CE LYS A 14 -27.206 -7.385 -4.187 1.00 0.00 C ATOM 196 NZ LYS A 14 -27.396 -8.785 -3.710 1.00 0.00 N ATOM 0 H LYS A 14 -22.983 -6.335 -0.541 1.00 0.00 H new ATOM 0 HA LYS A 14 -24.323 -8.775 -0.045 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -26.088 -8.554 -1.794 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -26.330 -7.407 -0.492 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -25.454 -5.591 -1.822 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -24.915 -6.691 -3.075 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -27.843 -6.544 -2.306 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -27.150 -5.374 -3.412 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -28.061 -7.093 -4.797 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -26.326 -7.339 -4.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -27.992 -9.304 -4.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -26.471 -9.254 -3.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -27.857 -8.775 -2.778 1.00 0.00 H new ATOM 210 N CYS A 15 -22.237 -7.910 -2.209 1.00 0.00 N ATOM 211 CA CYS A 15 -21.483 -8.549 -3.292 1.00 0.00 C ATOM 212 C CYS A 15 -20.152 -9.140 -2.849 1.00 0.00 C ATOM 213 O CYS A 15 -19.174 -9.136 -3.608 1.00 0.00 O ATOM 214 CB CYS A 15 -21.250 -7.542 -4.422 1.00 0.00 C ATOM 215 SG CYS A 15 -19.922 -6.343 -4.084 1.00 0.00 S ATOM 0 H CYS A 15 -21.816 -7.099 -1.755 1.00 0.00 H new ATOM 0 HA CYS A 15 -22.091 -9.385 -3.638 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -21.010 -8.086 -5.336 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -22.177 -6.999 -4.608 1.00 0.00 H new ATOM 0 HG CYS A 15 -20.405 -5.137 -4.127 1.00 0.00 H new ATOM 220 N GLU A 16 -20.142 -9.776 -1.693 1.00 0.00 N ATOM 221 CA GLU A 16 -18.938 -10.382 -1.153 1.00 0.00 C ATOM 222 C GLU A 16 -18.820 -11.797 -1.665 1.00 0.00 C ATOM 223 O GLU A 16 -18.210 -12.657 -1.036 1.00 0.00 O ATOM 224 CB GLU A 16 -19.043 -10.441 0.373 1.00 0.00 C ATOM 225 CG GLU A 16 -20.208 -9.651 0.951 1.00 0.00 C ATOM 226 CD GLU A 16 -21.513 -10.429 0.913 1.00 0.00 C ATOM 227 OE1 GLU A 16 -22.110 -10.536 -0.172 1.00 0.00 O ATOM 228 OE2 GLU A 16 -21.939 -10.944 1.966 1.00 0.00 O ATOM 0 H GLU A 16 -20.966 -9.887 -1.102 1.00 0.00 H new ATOM 0 HA GLU A 16 -18.073 -9.792 -1.455 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -19.138 -11.483 0.679 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -18.115 -10.066 0.804 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -19.982 -9.377 1.981 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -20.326 -8.722 0.393 1.00 0.00 H new ATOM 235 N ARG A 17 -19.405 -12.030 -2.819 1.00 0.00 N ATOM 236 CA ARG A 17 -19.614 -13.365 -3.294 1.00 0.00 C ATOM 237 C ARG A 17 -19.565 -13.328 -4.819 1.00 0.00 C ATOM 238 O ARG A 17 -19.217 -14.312 -5.465 1.00 0.00 O ATOM 239 CB ARG A 17 -20.960 -13.912 -2.795 1.00 0.00 C ATOM 240 CG ARG A 17 -22.166 -13.111 -3.269 1.00 0.00 C ATOM 241 CD ARG A 17 -23.408 -13.404 -2.440 1.00 0.00 C ATOM 242 NE ARG A 17 -23.321 -12.820 -1.102 1.00 0.00 N ATOM 243 CZ ARG A 17 -24.158 -13.097 -0.107 1.00 0.00 C ATOM 244 NH1 ARG A 17 -25.154 -13.957 -0.291 1.00 0.00 N ATOM 245 NH2 ARG A 17 -23.999 -12.511 1.072 1.00 0.00 N ATOM 0 H ARG A 17 -19.744 -11.300 -3.445 1.00 0.00 H new ATOM 0 HA ARG A 17 -18.839 -14.031 -2.914 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -21.068 -14.944 -3.129 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -20.953 -13.929 -1.705 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -21.938 -12.047 -3.216 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -22.366 -13.342 -4.315 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -24.287 -13.011 -2.951 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -23.543 -14.482 -2.357 1.00 0.00 H new ATOM 0 HE ARG A 17 -22.568 -12.156 -0.920 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -25.278 -14.407 -1.198 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -25.794 -14.167 0.475 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -23.236 -11.849 1.214 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -24.640 -12.722 1.837 1.00 0.00 H new ATOM 259 N ALA A 18 -19.910 -12.151 -5.382 1.00 0.00 N ATOM 260 CA ALA A 18 -20.113 -12.035 -6.827 1.00 0.00 C ATOM 261 C ALA A 18 -19.236 -10.972 -7.485 1.00 0.00 C ATOM 262 O ALA A 18 -18.677 -11.205 -8.553 1.00 0.00 O ATOM 263 CB ALA A 18 -21.579 -11.760 -7.133 1.00 0.00 C ATOM 0 H ALA A 18 -20.050 -11.285 -4.861 1.00 0.00 H new ATOM 0 HA ALA A 18 -19.813 -12.992 -7.254 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -21.716 -11.676 -8.211 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -22.190 -12.578 -6.752 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -21.882 -10.828 -6.655 1.00 0.00 H new ATOM 269 N GLY A 19 -19.095 -9.816 -6.848 1.00 0.00 N ATOM 270 CA GLY A 19 -18.321 -8.740 -7.449 1.00 0.00 C ATOM 271 C GLY A 19 -19.176 -7.737 -8.201 1.00 0.00 C ATOM 272 O GLY A 19 -18.661 -6.929 -8.966 1.00 0.00 O ATOM 0 H GLY A 19 -19.497 -9.603 -5.935 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -17.765 -8.221 -6.668 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -17.587 -9.167 -8.133 1.00 0.00 H new ATOM 276 N GLU A 20 -20.476 -7.756 -7.946 1.00 0.00 N ATOM 277 CA GLU A 20 -21.410 -6.889 -8.653 1.00 0.00 C ATOM 278 C GLU A 20 -22.687 -6.718 -7.844 1.00 0.00 C ATOM 279 O GLU A 20 -22.936 -7.471 -6.903 1.00 0.00 O ATOM 280 CB GLU A 20 -21.743 -7.463 -10.035 1.00 0.00 C ATOM 281 CG GLU A 20 -21.996 -8.962 -10.021 1.00 0.00 C ATOM 282 CD GLU A 20 -22.681 -9.449 -11.279 1.00 0.00 C ATOM 283 OE1 GLU A 20 -21.978 -9.767 -12.258 1.00 0.00 O ATOM 284 OE2 GLU A 20 -23.928 -9.521 -11.287 1.00 0.00 O ATOM 0 H GLU A 20 -20.910 -8.365 -7.252 1.00 0.00 H new ATOM 0 HA GLU A 20 -20.938 -5.915 -8.784 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -22.625 -6.957 -10.428 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -20.921 -7.247 -10.718 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -21.047 -9.486 -9.903 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -22.610 -9.215 -9.156 1.00 0.00 H new ATOM 291 N ILE A 21 -23.479 -5.729 -8.209 1.00 0.00 N ATOM 292 CA ILE A 21 -24.775 -5.500 -7.590 1.00 0.00 C ATOM 293 C ILE A 21 -25.721 -5.047 -8.668 1.00 0.00 C ATOM 294 O ILE A 21 -25.485 -4.039 -9.330 1.00 0.00 O ATOM 295 CB ILE A 21 -24.741 -4.459 -6.435 1.00 0.00 C ATOM 296 CG1 ILE A 21 -23.952 -5.027 -5.232 1.00 0.00 C ATOM 297 CG2 ILE A 21 -26.147 -4.056 -6.001 1.00 0.00 C ATOM 298 CD1 ILE A 21 -23.927 -4.150 -3.986 1.00 0.00 C ATOM 0 H ILE A 21 -23.245 -5.060 -8.943 1.00 0.00 H new ATOM 0 HA ILE A 21 -25.101 -6.433 -7.131 1.00 0.00 H new ATOM 0 HB ILE A 21 -24.239 -3.565 -6.805 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -24.378 -5.994 -4.965 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -22.924 -5.208 -5.547 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -26.083 -3.328 -5.193 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -26.676 -3.615 -6.846 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -26.687 -4.937 -5.654 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -23.348 -4.643 -3.205 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -23.469 -3.190 -4.226 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -24.946 -3.988 -3.634 1.00 0.00 H new ATOM 310 N GLU A 22 -26.783 -5.808 -8.835 1.00 0.00 N ATOM 311 CA GLU A 22 -27.707 -5.597 -9.925 1.00 0.00 C ATOM 312 C GLU A 22 -26.990 -5.694 -11.278 1.00 0.00 C ATOM 313 O GLU A 22 -27.212 -4.871 -12.166 1.00 0.00 O ATOM 314 CB GLU A 22 -28.359 -4.224 -9.746 1.00 0.00 C ATOM 315 CG GLU A 22 -29.852 -4.247 -10.011 1.00 0.00 C ATOM 316 CD GLU A 22 -30.515 -5.328 -9.181 1.00 0.00 C ATOM 317 OE1 GLU A 22 -30.432 -5.257 -7.936 1.00 0.00 O ATOM 318 OE2 GLU A 22 -31.076 -6.277 -9.766 1.00 0.00 O ATOM 0 H GLU A 22 -27.027 -6.585 -8.222 1.00 0.00 H new ATOM 0 HA GLU A 22 -28.474 -6.372 -9.913 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -28.180 -3.871 -8.731 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -27.885 -3.510 -10.420 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -30.286 -3.276 -9.771 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -30.038 -4.426 -11.070 1.00 0.00 H new ATOM 325 N GLY A 23 -26.114 -6.694 -11.426 1.00 0.00 N ATOM 326 CA GLY A 23 -25.335 -6.847 -12.656 1.00 0.00 C ATOM 327 C GLY A 23 -24.527 -5.615 -12.979 1.00 0.00 C ATOM 328 O GLY A 23 -24.052 -5.425 -14.101 1.00 0.00 O ATOM 0 H GLY A 23 -25.929 -7.402 -10.716 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -24.666 -7.702 -12.556 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -26.008 -7.065 -13.485 1.00 0.00 H new ATOM 332 N THR A 24 -24.396 -4.786 -11.980 1.00 0.00 N ATOM 333 CA THR A 24 -23.836 -3.471 -12.111 1.00 0.00 C ATOM 334 C THR A 24 -22.617 -3.313 -11.196 1.00 0.00 C ATOM 335 O THR A 24 -22.564 -3.920 -10.124 1.00 0.00 O ATOM 336 CB THR A 24 -24.964 -2.483 -11.762 1.00 0.00 C ATOM 337 OG1 THR A 24 -25.641 -2.075 -12.958 1.00 0.00 O ATOM 338 CG2 THR A 24 -24.489 -1.260 -10.988 1.00 0.00 C ATOM 0 H THR A 24 -24.684 -5.013 -11.028 1.00 0.00 H new ATOM 0 HA THR A 24 -23.474 -3.282 -13.122 1.00 0.00 H new ATOM 0 HB THR A 24 -25.648 -3.016 -11.101 1.00 0.00 H new ATOM 0 HG1 THR A 24 -26.359 -1.448 -12.730 1.00 0.00 H new ATOM 0 HG21 THR A 24 -25.338 -0.610 -10.778 1.00 0.00 H new ATOM 0 HG22 THR A 24 -24.034 -1.577 -10.050 1.00 0.00 H new ATOM 0 HG23 THR A 24 -23.754 -0.716 -11.582 1.00 0.00 H new ATOM 346 N PRO A 25 -21.609 -2.531 -11.630 1.00 0.00 N ATOM 347 CA PRO A 25 -20.399 -2.289 -10.839 1.00 0.00 C ATOM 348 C PRO A 25 -20.721 -1.659 -9.482 1.00 0.00 C ATOM 349 O PRO A 25 -21.429 -0.655 -9.398 1.00 0.00 O ATOM 350 CB PRO A 25 -19.570 -1.336 -11.705 1.00 0.00 C ATOM 351 CG PRO A 25 -20.541 -0.746 -12.668 1.00 0.00 C ATOM 352 CD PRO A 25 -21.569 -1.815 -12.918 1.00 0.00 C ATOM 0 HA PRO A 25 -19.872 -3.214 -10.606 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -19.096 -0.564 -11.099 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -18.773 -1.868 -12.224 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -21.002 0.152 -12.258 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -20.046 -0.455 -13.594 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -22.539 -1.391 -13.176 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -21.279 -2.472 -13.738 1.00 0.00 H new ATOM 360 N CYS A 26 -20.187 -2.262 -8.435 1.00 0.00 N ATOM 361 CA CYS A 26 -20.594 -1.955 -7.071 1.00 0.00 C ATOM 362 C CYS A 26 -19.878 -0.710 -6.503 1.00 0.00 C ATOM 363 O CYS A 26 -18.664 -0.572 -6.642 1.00 0.00 O ATOM 364 CB CYS A 26 -20.352 -3.198 -6.204 1.00 0.00 C ATOM 365 SG CYS A 26 -20.909 -3.057 -4.481 1.00 0.00 S ATOM 0 H CYS A 26 -19.462 -2.976 -8.503 1.00 0.00 H new ATOM 0 HA CYS A 26 -21.654 -1.702 -7.066 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -20.857 -4.047 -6.664 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -19.285 -3.422 -6.207 1.00 0.00 H new ATOM 0 HG CYS A 26 -19.881 -3.110 -3.687 1.00 0.00 H new ATOM 370 N PRO A 27 -20.660 0.179 -5.834 1.00 0.00 N ATOM 371 CA PRO A 27 -20.222 1.478 -5.282 1.00 0.00 C ATOM 372 C PRO A 27 -18.762 1.557 -4.822 1.00 0.00 C ATOM 373 O PRO A 27 -17.996 2.395 -5.300 1.00 0.00 O ATOM 374 CB PRO A 27 -21.139 1.619 -4.067 1.00 0.00 C ATOM 375 CG PRO A 27 -22.423 0.973 -4.466 1.00 0.00 C ATOM 376 CD PRO A 27 -22.101 -0.014 -5.575 1.00 0.00 C ATOM 0 HA PRO A 27 -20.281 2.255 -6.044 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -20.709 1.132 -3.191 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -21.290 2.667 -3.808 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -22.878 0.463 -3.617 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -23.139 1.719 -4.810 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -22.316 -1.038 -5.270 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -22.695 0.184 -6.467 1.00 0.00 H new ATOM 384 N ALA A 28 -18.390 0.676 -3.895 1.00 0.00 N ATOM 385 CA ALA A 28 -17.134 0.834 -3.153 1.00 0.00 C ATOM 386 C ALA A 28 -16.187 -0.355 -3.318 1.00 0.00 C ATOM 387 O ALA A 28 -15.030 -0.317 -2.898 1.00 0.00 O ATOM 388 CB ALA A 28 -17.436 1.067 -1.685 1.00 0.00 C ATOM 0 H ALA A 28 -18.933 -0.149 -3.639 1.00 0.00 H new ATOM 0 HA ALA A 28 -16.619 1.699 -3.572 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -16.502 1.184 -1.136 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -18.037 1.970 -1.576 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -17.987 0.215 -1.287 1.00 0.00 H new ATOM 394 N CYS A 29 -16.676 -1.410 -3.917 1.00 0.00 N ATOM 395 CA CYS A 29 -15.869 -2.583 -4.168 1.00 0.00 C ATOM 396 C CYS A 29 -16.014 -3.037 -5.638 1.00 0.00 C ATOM 397 O CYS A 29 -16.980 -3.724 -5.995 1.00 0.00 O ATOM 398 CB CYS A 29 -16.339 -3.664 -3.186 1.00 0.00 C ATOM 399 SG CYS A 29 -18.084 -4.030 -3.312 1.00 0.00 S ATOM 0 H CYS A 29 -17.639 -1.484 -4.244 1.00 0.00 H new ATOM 0 HA CYS A 29 -14.810 -2.376 -4.016 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -15.770 -4.577 -3.363 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -16.116 -3.342 -2.169 1.00 0.00 H new ATOM 0 HG CYS A 29 -18.244 -5.198 -3.859 1.00 0.00 H new ATOM 404 N SER A 30 -15.103 -2.594 -6.508 1.00 0.00 N ATOM 405 CA SER A 30 -15.179 -2.879 -7.944 1.00 0.00 C ATOM 406 C SER A 30 -14.862 -4.337 -8.287 1.00 0.00 C ATOM 407 O SER A 30 -13.955 -4.615 -9.076 1.00 0.00 O ATOM 408 CB SER A 30 -14.202 -1.973 -8.652 1.00 0.00 C ATOM 409 OG SER A 30 -14.364 -0.642 -8.189 1.00 0.00 O ATOM 0 H SER A 30 -14.296 -2.031 -6.240 1.00 0.00 H new ATOM 0 HA SER A 30 -16.204 -2.701 -8.268 1.00 0.00 H new ATOM 0 HB2 SER A 30 -13.181 -2.310 -8.471 1.00 0.00 H new ATOM 0 HB3 SER A 30 -14.365 -2.016 -9.729 1.00 0.00 H new ATOM 0 HG SER A 30 -13.727 -0.056 -8.649 1.00 0.00 H new ATOM 415 N GLY A 31 -15.584 -5.257 -7.674 1.00 0.00 N ATOM 416 CA GLY A 31 -15.449 -6.657 -8.014 1.00 0.00 C ATOM 417 C GLY A 31 -14.412 -7.362 -7.166 1.00 0.00 C ATOM 418 O GLY A 31 -13.643 -8.176 -7.665 1.00 0.00 O ATOM 0 H GLY A 31 -16.266 -5.059 -6.942 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -16.412 -7.152 -7.891 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -15.176 -6.748 -9.065 1.00 0.00 H new ATOM 422 N LYS A 32 -14.390 -7.057 -5.872 1.00 0.00 N ATOM 423 CA LYS A 32 -13.407 -7.637 -4.970 1.00 0.00 C ATOM 424 C LYS A 32 -14.110 -8.563 -3.979 1.00 0.00 C ATOM 425 O LYS A 32 -13.637 -9.659 -3.676 1.00 0.00 O ATOM 426 CB LYS A 32 -12.693 -6.536 -4.184 1.00 0.00 C ATOM 427 CG LYS A 32 -12.430 -5.275 -4.990 1.00 0.00 C ATOM 428 CD LYS A 32 -11.603 -4.273 -4.197 1.00 0.00 C ATOM 429 CE LYS A 32 -12.124 -4.110 -2.776 1.00 0.00 C ATOM 430 NZ LYS A 32 -11.268 -3.209 -1.968 1.00 0.00 N ATOM 0 H LYS A 32 -15.042 -6.411 -5.427 1.00 0.00 H new ATOM 0 HA LYS A 32 -12.679 -8.194 -5.560 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -13.293 -6.279 -3.311 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.744 -6.924 -3.815 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.908 -5.532 -5.911 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -13.378 -4.820 -5.277 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.564 -4.601 -4.168 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.618 -3.308 -4.703 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.139 -3.714 -2.806 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.176 -5.087 -2.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.271 -3.524 -0.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -10.296 -3.232 -2.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.636 -2.238 -2.023 1.00 0.00 H new ATOM 444 N GLY A 33 -15.245 -8.086 -3.472 1.00 0.00 N ATOM 445 CA GLY A 33 -16.014 -8.821 -2.496 1.00 0.00 C ATOM 446 C GLY A 33 -16.177 -8.027 -1.209 1.00 0.00 C ATOM 447 O GLY A 33 -17.254 -7.990 -0.622 1.00 0.00 O ATOM 0 H GLY A 33 -15.647 -7.185 -3.730 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.996 -9.058 -2.907 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.521 -9.769 -2.281 1.00 0.00 H new ATOM 451 N VAL A 34 -15.122 -7.321 -0.815 1.00 0.00 N ATOM 452 CA VAL A 34 -15.117 -6.590 0.451 1.00 0.00 C ATOM 453 C VAL A 34 -14.998 -5.074 0.248 1.00 0.00 C ATOM 454 O VAL A 34 -14.667 -4.601 -0.843 1.00 0.00 O ATOM 455 CB VAL A 34 -13.958 -7.063 1.353 1.00 0.00 C ATOM 456 CG1 VAL A 34 -14.134 -8.526 1.739 1.00 0.00 C ATOM 457 CG2 VAL A 34 -12.624 -6.854 0.657 1.00 0.00 C ATOM 0 H VAL A 34 -14.259 -7.238 -1.353 1.00 0.00 H new ATOM 0 HA VAL A 34 -16.073 -6.800 0.930 1.00 0.00 H new ATOM 0 HB VAL A 34 -13.971 -6.466 2.265 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -13.305 -8.837 2.375 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -15.072 -8.649 2.280 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -14.151 -9.140 0.839 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -11.817 -7.193 1.307 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -12.605 -7.424 -0.272 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -12.491 -5.795 0.436 1.00 0.00 H new ATOM 467 N ILE A 35 -15.301 -4.336 1.311 1.00 0.00 N ATOM 468 CA ILE A 35 -15.157 -2.884 1.352 1.00 0.00 C ATOM 469 C ILE A 35 -14.350 -2.477 2.583 1.00 0.00 C ATOM 470 O ILE A 35 -14.228 -3.248 3.523 1.00 0.00 O ATOM 471 CB ILE A 35 -16.525 -2.176 1.387 1.00 0.00 C ATOM 472 CG1 ILE A 35 -17.413 -2.804 2.457 1.00 0.00 C ATOM 473 CG2 ILE A 35 -17.195 -2.255 0.027 1.00 0.00 C ATOM 474 CD1 ILE A 35 -18.726 -2.083 2.666 1.00 0.00 C ATOM 0 H ILE A 35 -15.658 -4.734 2.180 1.00 0.00 H new ATOM 0 HA ILE A 35 -14.637 -2.579 0.444 1.00 0.00 H new ATOM 0 HB ILE A 35 -16.371 -1.126 1.634 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -17.618 -3.839 2.183 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -16.868 -2.826 3.401 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -18.160 -1.751 0.067 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -16.564 -1.771 -0.718 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -17.343 -3.300 -0.246 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -19.300 -2.590 3.442 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -18.532 -1.055 2.972 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -19.294 -2.084 1.736 1.00 0.00 H new ATOM 486 N LEU A 36 -13.813 -1.268 2.577 1.00 0.00 N ATOM 487 CA LEU A 36 -12.858 -0.853 3.605 1.00 0.00 C ATOM 488 C LEU A 36 -13.505 -0.253 4.848 1.00 0.00 C ATOM 489 O LEU A 36 -14.686 0.103 4.861 1.00 0.00 O ATOM 490 CB LEU A 36 -11.882 0.164 3.030 1.00 0.00 C ATOM 491 CG LEU A 36 -11.083 -0.318 1.831 1.00 0.00 C ATOM 492 CD1 LEU A 36 -11.737 0.125 0.531 1.00 0.00 C ATOM 493 CD2 LEU A 36 -9.661 0.182 1.929 1.00 0.00 C ATOM 0 H LEU A 36 -14.018 -0.555 1.877 1.00 0.00 H new ATOM 0 HA LEU A 36 -12.347 -1.765 3.915 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.438 1.056 2.742 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -11.187 0.462 3.815 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.066 -1.408 1.832 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -11.147 -0.232 -0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -12.744 -0.289 0.471 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.790 1.213 0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -9.093 -0.167 1.067 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.659 1.272 1.948 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -9.204 -0.198 2.843 1.00 0.00 H new ATOM 505 N THR A 37 -12.689 -0.161 5.892 1.00 0.00 N ATOM 506 CA THR A 37 -13.047 0.510 7.132 1.00 0.00 C ATOM 507 C THR A 37 -12.288 1.831 7.208 1.00 0.00 C ATOM 508 O THR A 37 -11.504 2.124 6.316 1.00 0.00 O ATOM 509 CB THR A 37 -12.665 -0.351 8.351 1.00 0.00 C ATOM 510 OG1 THR A 37 -11.240 -0.539 8.387 1.00 0.00 O ATOM 511 CG2 THR A 37 -13.342 -1.709 8.294 1.00 0.00 C ATOM 0 H THR A 37 -11.749 -0.556 5.899 1.00 0.00 H new ATOM 0 HA THR A 37 -14.124 0.677 7.144 1.00 0.00 H new ATOM 0 HB THR A 37 -12.997 0.170 9.249 1.00 0.00 H new ATOM 0 HG1 THR A 37 -11.016 -1.213 9.063 1.00 0.00 H new ATOM 0 HG21 THR A 37 -13.055 -2.296 9.167 1.00 0.00 H new ATOM 0 HG22 THR A 37 -14.424 -1.576 8.286 1.00 0.00 H new ATOM 0 HG23 THR A 37 -13.034 -2.231 7.388 1.00 0.00 H new ATOM 519 N ALA A 38 -12.488 2.616 8.260 1.00 0.00 N ATOM 520 CA ALA A 38 -11.803 3.905 8.387 1.00 0.00 C ATOM 521 C ALA A 38 -10.285 3.745 8.364 1.00 0.00 C ATOM 522 O ALA A 38 -9.589 4.494 7.673 1.00 0.00 O ATOM 523 CB ALA A 38 -12.247 4.625 9.644 1.00 0.00 C ATOM 0 H ALA A 38 -13.113 2.389 9.034 1.00 0.00 H new ATOM 0 HA ALA A 38 -12.080 4.509 7.523 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -11.727 5.580 9.719 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -13.322 4.800 9.603 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -12.012 4.014 10.516 1.00 0.00 H new ATOM 529 N GLN A 39 -9.770 2.779 9.117 1.00 0.00 N ATOM 530 CA GLN A 39 -8.346 2.477 9.081 1.00 0.00 C ATOM 531 C GLN A 39 -7.917 2.067 7.675 1.00 0.00 C ATOM 532 O GLN A 39 -6.888 2.521 7.174 1.00 0.00 O ATOM 533 CB GLN A 39 -7.997 1.367 10.071 1.00 0.00 C ATOM 534 CG GLN A 39 -6.512 1.037 10.109 1.00 0.00 C ATOM 535 CD GLN A 39 -6.171 -0.021 11.136 1.00 0.00 C ATOM 536 OE1 GLN A 39 -6.834 -0.144 12.161 1.00 0.00 O ATOM 537 NE2 GLN A 39 -5.125 -0.789 10.873 1.00 0.00 N ATOM 0 H GLN A 39 -10.313 2.197 9.754 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.808 3.381 9.366 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -8.321 1.664 11.068 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -8.555 0.468 9.809 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -6.195 0.695 9.124 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.949 1.944 10.328 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -4.599 -0.656 10.009 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -4.845 -1.514 11.534 1.00 0.00 H new ATOM 546 N GLY A 40 -8.725 1.229 7.035 1.00 0.00 N ATOM 547 CA GLY A 40 -8.422 0.798 5.684 1.00 0.00 C ATOM 548 C GLY A 40 -8.521 1.937 4.689 1.00 0.00 C ATOM 549 O GLY A 40 -7.783 1.981 3.709 1.00 0.00 O ATOM 0 H GLY A 40 -9.583 0.841 7.427 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.417 0.377 5.655 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.109 0.003 5.394 1.00 0.00 H new ATOM 553 N TYR A 41 -9.418 2.875 4.959 1.00 0.00 N ATOM 554 CA TYR A 41 -9.601 4.037 4.107 1.00 0.00 C ATOM 555 C TYR A 41 -8.409 4.974 4.193 1.00 0.00 C ATOM 556 O TYR A 41 -8.050 5.619 3.206 1.00 0.00 O ATOM 557 CB TYR A 41 -10.882 4.779 4.521 1.00 0.00 C ATOM 558 CG TYR A 41 -12.108 4.402 3.716 1.00 0.00 C ATOM 559 CD1 TYR A 41 -12.341 4.967 2.469 1.00 0.00 C ATOM 560 CD2 TYR A 41 -13.033 3.486 4.201 1.00 0.00 C ATOM 561 CE1 TYR A 41 -13.460 4.629 1.730 1.00 0.00 C ATOM 562 CE2 TYR A 41 -14.153 3.144 3.468 1.00 0.00 C ATOM 563 CZ TYR A 41 -14.362 3.717 2.235 1.00 0.00 C ATOM 564 OH TYR A 41 -15.479 3.380 1.508 1.00 0.00 O ATOM 0 H TYR A 41 -10.035 2.851 5.771 1.00 0.00 H new ATOM 0 HA TYR A 41 -9.689 3.698 3.075 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -11.078 4.581 5.575 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -10.714 5.852 4.424 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -11.637 5.682 2.070 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -12.874 3.033 5.168 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -13.626 5.077 0.762 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -14.861 2.430 3.861 1.00 0.00 H new ATOM 0 HH TYR A 41 -16.009 2.724 2.007 1.00 0.00 H new ATOM 574 N THR A 42 -7.778 5.028 5.356 1.00 0.00 N ATOM 575 CA THR A 42 -6.572 5.822 5.523 1.00 0.00 C ATOM 576 C THR A 42 -5.411 5.165 4.787 1.00 0.00 C ATOM 577 O THR A 42 -4.527 5.837 4.246 1.00 0.00 O ATOM 578 CB THR A 42 -6.212 5.971 7.013 1.00 0.00 C ATOM 579 OG1 THR A 42 -7.352 6.433 7.748 1.00 0.00 O ATOM 580 CG2 THR A 42 -5.057 6.945 7.199 1.00 0.00 C ATOM 0 H THR A 42 -8.080 4.533 6.195 1.00 0.00 H new ATOM 0 HA THR A 42 -6.759 6.812 5.108 1.00 0.00 H new ATOM 0 HB THR A 42 -5.907 4.994 7.388 1.00 0.00 H new ATOM 0 HG1 THR A 42 -8.031 5.727 7.777 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.822 7.033 8.260 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.182 6.578 6.663 1.00 0.00 H new ATOM 0 HG23 THR A 42 -5.339 7.923 6.808 1.00 0.00 H new ATOM 588 N LEU A 43 -5.456 3.844 4.719 1.00 0.00 N ATOM 589 CA LEU A 43 -4.385 3.082 4.104 1.00 0.00 C ATOM 590 C LEU A 43 -4.609 2.954 2.606 1.00 0.00 C ATOM 591 O LEU A 43 -3.665 2.708 1.866 1.00 0.00 O ATOM 592 CB LEU A 43 -4.262 1.680 4.726 1.00 0.00 C ATOM 593 CG LEU A 43 -3.169 1.501 5.801 1.00 0.00 C ATOM 594 CD1 LEU A 43 -3.310 2.548 6.895 1.00 0.00 C ATOM 595 CD2 LEU A 43 -3.248 0.109 6.403 1.00 0.00 C ATOM 0 H LEU A 43 -6.223 3.279 5.083 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.457 3.624 4.285 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.223 1.417 5.168 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.074 0.966 3.925 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.198 1.629 5.323 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.529 2.402 7.641 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.215 3.543 6.461 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.287 2.450 7.368 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.472 -0.005 7.160 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.226 -0.034 6.862 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.103 -0.635 5.620 1.00 0.00 H new ATOM 607 N LEU A 44 -5.841 3.145 2.139 1.00 0.00 N ATOM 608 CA LEU A 44 -6.119 3.000 0.719 1.00 0.00 C ATOM 609 C LEU A 44 -5.706 4.265 -0.020 1.00 0.00 C ATOM 610 O LEU A 44 -5.072 4.197 -1.063 1.00 0.00 O ATOM 611 CB LEU A 44 -7.608 2.645 0.472 1.00 0.00 C ATOM 612 CG LEU A 44 -8.609 3.806 0.277 1.00 0.00 C ATOM 613 CD1 LEU A 44 -8.517 4.403 -1.124 1.00 0.00 C ATOM 614 CD2 LEU A 44 -10.027 3.321 0.513 1.00 0.00 C ATOM 0 H LEU A 44 -6.646 3.396 2.713 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.531 2.170 0.327 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.657 2.010 -0.412 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.952 2.045 1.315 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.351 4.579 1.001 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.236 5.216 -1.221 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.511 4.787 -1.290 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.738 3.633 -1.863 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.723 4.148 0.373 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -10.262 2.525 -0.194 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.117 2.940 1.530 1.00 0.00 H new ATOM 626 N ASP A 45 -6.037 5.420 0.541 1.00 0.00 N ATOM 627 CA ASP A 45 -5.757 6.686 -0.123 1.00 0.00 C ATOM 628 C ASP A 45 -4.267 6.969 -0.093 1.00 0.00 C ATOM 629 O ASP A 45 -3.736 7.684 -0.944 1.00 0.00 O ATOM 630 CB ASP A 45 -6.527 7.823 0.543 1.00 0.00 C ATOM 631 CG ASP A 45 -6.665 9.023 -0.368 1.00 0.00 C ATOM 632 OD1 ASP A 45 -5.767 9.889 -0.376 1.00 0.00 O ATOM 633 OD2 ASP A 45 -7.672 9.092 -1.099 1.00 0.00 O ATOM 0 H ASP A 45 -6.496 5.507 1.448 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.082 6.615 -1.161 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -7.517 7.470 0.831 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -6.016 8.120 1.459 1.00 0.00 H new ATOM 638 N PHE A 46 -3.586 6.356 0.860 1.00 0.00 N ATOM 639 CA PHE A 46 -2.142 6.450 0.945 1.00 0.00 C ATOM 640 C PHE A 46 -1.506 5.604 -0.136 1.00 0.00 C ATOM 641 O PHE A 46 -0.573 6.035 -0.803 1.00 0.00 O ATOM 642 CB PHE A 46 -1.698 5.933 2.313 1.00 0.00 C ATOM 643 CG PHE A 46 -0.228 6.055 2.599 1.00 0.00 C ATOM 644 CD1 PHE A 46 0.646 5.036 2.254 1.00 0.00 C ATOM 645 CD2 PHE A 46 0.277 7.179 3.233 1.00 0.00 C ATOM 646 CE1 PHE A 46 1.994 5.139 2.531 1.00 0.00 C ATOM 647 CE2 PHE A 46 1.625 7.286 3.513 1.00 0.00 C ATOM 648 CZ PHE A 46 2.484 6.265 3.160 1.00 0.00 C ATOM 0 H PHE A 46 -4.014 5.785 1.589 1.00 0.00 H new ATOM 0 HA PHE A 46 -1.834 7.487 0.814 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -2.247 6.474 3.083 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.982 4.884 2.396 1.00 0.00 H new ATOM 0 HD1 PHE A 46 0.268 4.152 1.763 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.391 7.980 3.511 1.00 0.00 H new ATOM 0 HE1 PHE A 46 2.665 4.339 2.256 1.00 0.00 H new ATOM 0 HE2 PHE A 46 2.006 8.167 4.007 1.00 0.00 H new ATOM 0 HZ PHE A 46 3.539 6.347 3.376 1.00 0.00 H new ATOM 658 N ILE A 47 -2.034 4.420 -0.344 1.00 0.00 N ATOM 659 CA ILE A 47 -1.444 3.535 -1.320 1.00 0.00 C ATOM 660 C ILE A 47 -1.868 3.937 -2.732 1.00 0.00 C ATOM 661 O ILE A 47 -1.142 3.710 -3.699 1.00 0.00 O ATOM 662 CB ILE A 47 -1.783 2.060 -1.035 1.00 0.00 C ATOM 663 CG1 ILE A 47 -3.297 1.838 -1.070 1.00 0.00 C ATOM 664 CG2 ILE A 47 -1.217 1.667 0.321 1.00 0.00 C ATOM 665 CD1 ILE A 47 -3.726 0.428 -0.724 1.00 0.00 C ATOM 0 H ILE A 47 -2.854 4.053 0.139 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.361 3.633 -1.245 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.335 1.434 -1.807 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.771 2.531 -0.374 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.666 2.084 -2.066 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.455 0.623 0.526 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.135 1.798 0.315 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.655 2.298 1.095 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.813 0.356 -0.772 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.284 -0.271 -1.434 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.391 0.183 0.284 1.00 0.00 H new ATOM 677 N GLN A 48 -3.030 4.566 -2.836 1.00 0.00 N ATOM 678 CA GLN A 48 -3.436 5.233 -4.062 1.00 0.00 C ATOM 679 C GLN A 48 -2.374 6.242 -4.473 1.00 0.00 C ATOM 680 O GLN A 48 -1.710 6.085 -5.480 1.00 0.00 O ATOM 681 CB GLN A 48 -4.769 5.961 -3.857 1.00 0.00 C ATOM 682 CG GLN A 48 -5.975 5.045 -3.722 1.00 0.00 C ATOM 683 CD GLN A 48 -6.184 4.159 -4.932 1.00 0.00 C ATOM 684 OE1 GLN A 48 -5.822 4.518 -6.054 1.00 0.00 O ATOM 685 NE2 GLN A 48 -6.783 3.000 -4.714 1.00 0.00 N ATOM 0 H GLN A 48 -3.712 4.628 -2.080 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.555 4.482 -4.843 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.697 6.579 -2.962 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.933 6.635 -4.698 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.852 4.420 -2.838 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.868 5.650 -3.563 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.066 2.742 -3.769 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -6.962 2.364 -5.491 1.00 0.00 H new ATOM 694 N LYS A 49 -2.146 7.197 -3.599 1.00 0.00 N ATOM 695 CA LYS A 49 -1.400 8.413 -3.910 1.00 0.00 C ATOM 696 C LYS A 49 0.126 8.190 -3.922 1.00 0.00 C ATOM 697 O LYS A 49 0.904 9.134 -4.074 1.00 0.00 O ATOM 698 CB LYS A 49 -1.884 9.493 -2.917 1.00 0.00 C ATOM 699 CG LYS A 49 -1.046 10.756 -2.805 1.00 0.00 C ATOM 700 CD LYS A 49 -1.892 11.940 -2.337 1.00 0.00 C ATOM 701 CE LYS A 49 -2.744 11.610 -1.111 1.00 0.00 C ATOM 702 NZ LYS A 49 -1.978 11.673 0.165 1.00 0.00 N ATOM 0 H LYS A 49 -2.476 7.157 -2.635 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.598 8.747 -4.928 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.896 9.783 -3.199 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.946 9.039 -1.928 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.227 10.591 -2.105 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.598 10.985 -3.772 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.237 12.779 -2.104 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.543 12.260 -3.151 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.582 12.305 -1.060 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.165 10.611 -1.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.512 11.188 0.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.056 11.208 0.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.830 12.667 0.433 1.00 0.00 H new ATOM 716 N HIS A 50 0.579 6.947 -3.720 1.00 0.00 N ATOM 717 CA HIS A 50 1.975 6.646 -4.083 1.00 0.00 C ATOM 718 C HIS A 50 2.123 5.592 -5.192 1.00 0.00 C ATOM 719 O HIS A 50 3.244 5.309 -5.613 1.00 0.00 O ATOM 720 CB HIS A 50 2.753 6.174 -2.852 1.00 0.00 C ATOM 721 CG HIS A 50 2.697 7.137 -1.715 1.00 0.00 C ATOM 722 ND1 HIS A 50 1.752 7.059 -0.721 1.00 0.00 N ATOM 723 CD2 HIS A 50 3.448 8.222 -1.432 1.00 0.00 C ATOM 724 CE1 HIS A 50 1.914 8.051 0.119 1.00 0.00 C ATOM 725 NE2 HIS A 50 2.935 8.774 -0.285 1.00 0.00 N ATOM 0 H HIS A 50 0.040 6.173 -3.331 1.00 0.00 H new ATOM 0 HA HIS A 50 2.381 7.580 -4.472 1.00 0.00 H new ATOM 0 HB2 HIS A 50 2.355 5.213 -2.525 1.00 0.00 H new ATOM 0 HB3 HIS A 50 3.794 6.010 -3.129 1.00 0.00 H new ATOM 0 HD1 HIS A 50 1.034 6.338 -0.648 1.00 0.00 H new ATOM 0 HD2 HIS A 50 4.291 8.586 -2.000 1.00 0.00 H new ATOM 0 HE1 HIS A 50 1.311 8.242 0.995 1.00 0.00 H new ATOM 0 HE2 HIS A 50 3.289 9.610 0.179 1.00 0.00 H new ATOM 734 N LEU A 51 1.028 5.013 -5.675 1.00 0.00 N ATOM 735 CA LEU A 51 1.129 4.049 -6.786 1.00 0.00 C ATOM 736 C LEU A 51 0.262 4.461 -7.967 1.00 0.00 C ATOM 737 O LEU A 51 0.677 4.377 -9.120 1.00 0.00 O ATOM 738 CB LEU A 51 0.708 2.629 -6.374 1.00 0.00 C ATOM 739 CG LEU A 51 1.651 1.858 -5.435 1.00 0.00 C ATOM 740 CD1 LEU A 51 3.088 1.889 -5.937 1.00 0.00 C ATOM 741 CD2 LEU A 51 1.566 2.393 -4.024 1.00 0.00 C ATOM 0 H LEU A 51 0.082 5.182 -5.333 1.00 0.00 H new ATOM 0 HA LEU A 51 2.182 4.048 -7.069 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.268 2.693 -5.894 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.579 2.039 -7.281 1.00 0.00 H new ATOM 0 HG LEU A 51 1.325 0.818 -5.427 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.726 1.334 -5.249 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.138 1.433 -6.926 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.430 2.922 -5.996 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.242 1.831 -3.380 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.849 3.446 -4.016 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.545 2.289 -3.656 1.00 0.00 H new ATOM 753 N ASN A 52 -0.947 4.888 -7.667 1.00 0.00 N ATOM 754 CA ASN A 52 -1.981 5.076 -8.674 1.00 0.00 C ATOM 755 C ASN A 52 -2.471 6.521 -8.736 1.00 0.00 C ATOM 756 O ASN A 52 -3.065 6.941 -9.731 1.00 0.00 O ATOM 757 CB ASN A 52 -3.145 4.142 -8.361 1.00 0.00 C ATOM 758 CG ASN A 52 -3.135 2.885 -9.213 1.00 0.00 C ATOM 759 OD1 ASN A 52 -1.956 2.436 -9.615 1.00 0.00 O flip ATOM 760 ND2 ASN A 52 -4.187 2.328 -9.520 1.00 0.00 N flip ATOM 0 H ASN A 52 -1.245 5.116 -6.718 1.00 0.00 H new ATOM 0 HA ASN A 52 -1.555 4.843 -9.650 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.108 3.862 -7.308 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -4.084 4.674 -8.517 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -5.077 2.703 -9.192 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -4.170 1.491 -10.103 1.00 0.00 H new ATOM 767 N LYS A 53 -2.241 7.263 -7.671 1.00 0.00 N ATOM 768 CA LYS A 53 -2.561 8.673 -7.627 1.00 0.00 C ATOM 769 C LYS A 53 -1.279 9.490 -7.625 1.00 0.00 C ATOM 770 O LYS A 53 -0.809 9.859 -8.718 1.00 0.00 O ATOM 771 CB LYS A 53 -3.367 8.999 -6.371 1.00 0.00 C ATOM 772 CG LYS A 53 -4.833 9.255 -6.628 1.00 0.00 C ATOM 773 CD LYS A 53 -5.451 10.016 -5.465 1.00 0.00 C ATOM 774 CE LYS A 53 -6.006 9.096 -4.398 1.00 0.00 C ATOM 775 NZ LYS A 53 -6.716 9.871 -3.348 1.00 0.00 N ATOM 776 OXT LYS A 53 -0.752 9.760 -6.529 1.00 0.00 O ATOM 0 H LYS A 53 -1.826 6.903 -6.811 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.156 8.921 -8.506 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.272 8.173 -5.666 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.934 9.878 -5.892 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.953 9.826 -7.549 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -5.355 8.308 -6.769 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.699 10.669 -5.022 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.250 10.657 -5.838 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.690 8.378 -4.851 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.195 8.524 -3.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.284 9.225 -2.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.021 10.360 -2.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.340 10.572 -3.796 1.00 0.00 H new ATOM 811 N VAL B 2 8.293 3.954 13.808 1.00 0.00 N ATOM 812 CA VAL B 2 8.080 2.878 14.766 1.00 0.00 C ATOM 813 C VAL B 2 7.958 1.563 14.005 1.00 0.00 C ATOM 814 O VAL B 2 8.080 0.472 14.568 1.00 0.00 O ATOM 815 CB VAL B 2 6.813 3.131 15.619 1.00 0.00 C ATOM 816 CG1 VAL B 2 5.562 3.148 14.752 1.00 0.00 C ATOM 817 CG2 VAL B 2 6.685 2.100 16.731 1.00 0.00 C ATOM 0 HA VAL B 2 8.928 2.833 15.449 1.00 0.00 H new ATOM 0 HB VAL B 2 6.917 4.113 16.080 1.00 0.00 H new ATOM 0 HG11 VAL B 2 4.688 3.328 15.378 1.00 0.00 H new ATOM 0 HG12 VAL B 2 5.645 3.941 14.009 1.00 0.00 H new ATOM 0 HG13 VAL B 2 5.456 2.188 14.248 1.00 0.00 H new ATOM 0 HG21 VAL B 2 5.786 2.303 17.313 1.00 0.00 H new ATOM 0 HG22 VAL B 2 6.618 1.103 16.296 1.00 0.00 H new ATOM 0 HG23 VAL B 2 7.559 2.155 17.381 1.00 0.00 H new ATOM 827 N ILE B 3 7.746 1.689 12.702 1.00 0.00 N ATOM 828 CA ILE B 3 7.673 0.545 11.819 1.00 0.00 C ATOM 829 C ILE B 3 8.878 0.533 10.887 1.00 0.00 C ATOM 830 O ILE B 3 9.269 1.568 10.350 1.00 0.00 O ATOM 831 CB ILE B 3 6.365 0.545 10.990 1.00 0.00 C ATOM 832 CG1 ILE B 3 6.264 -0.732 10.151 1.00 0.00 C ATOM 833 CG2 ILE B 3 6.283 1.782 10.097 1.00 0.00 C ATOM 834 CD1 ILE B 3 4.946 -0.881 9.421 1.00 0.00 C ATOM 0 H ILE B 3 7.621 2.586 12.234 1.00 0.00 H new ATOM 0 HA ILE B 3 7.677 -0.354 12.436 1.00 0.00 H new ATOM 0 HB ILE B 3 5.524 0.573 11.683 1.00 0.00 H new ATOM 0 HG12 ILE B 3 7.075 -0.742 9.423 1.00 0.00 H new ATOM 0 HG13 ILE B 3 6.408 -1.595 10.801 1.00 0.00 H new ATOM 0 HG21 ILE B 3 5.355 1.757 9.526 1.00 0.00 H new ATOM 0 HG22 ILE B 3 6.305 2.679 10.715 1.00 0.00 H new ATOM 0 HG23 ILE B 3 7.131 1.793 9.412 1.00 0.00 H new ATOM 0 HD11 ILE B 3 4.950 -1.809 8.849 1.00 0.00 H new ATOM 0 HD12 ILE B 3 4.130 -0.904 10.144 1.00 0.00 H new ATOM 0 HD13 ILE B 3 4.808 -0.038 8.744 1.00 0.00 H new ATOM 846 N ALA B 4 9.491 -0.627 10.740 1.00 0.00 N ATOM 847 CA ALA B 4 10.605 -0.785 9.825 1.00 0.00 C ATOM 848 C ALA B 4 10.340 -1.952 8.887 1.00 0.00 C ATOM 849 O ALA B 4 9.666 -2.917 9.248 1.00 0.00 O ATOM 850 CB ALA B 4 11.899 -0.991 10.597 1.00 0.00 C ATOM 0 H ALA B 4 9.235 -1.476 11.244 1.00 0.00 H new ATOM 0 HA ALA B 4 10.710 0.122 9.229 1.00 0.00 H new ATOM 0 HB1 ALA B 4 12.726 -1.108 9.897 1.00 0.00 H new ATOM 0 HB2 ALA B 4 12.084 -0.127 11.235 1.00 0.00 H new ATOM 0 HB3 ALA B 4 11.816 -1.886 11.214 1.00 0.00 H new ATOM 856 N THR B 5 10.880 -1.852 7.678 1.00 0.00 N ATOM 857 CA THR B 5 10.614 -2.819 6.623 1.00 0.00 C ATOM 858 C THR B 5 11.206 -4.190 6.956 1.00 0.00 C ATOM 859 O THR B 5 10.889 -5.183 6.311 1.00 0.00 O ATOM 860 CB THR B 5 11.189 -2.318 5.283 1.00 0.00 C ATOM 861 OG1 THR B 5 10.944 -0.910 5.151 1.00 0.00 O ATOM 862 CG2 THR B 5 10.560 -3.053 4.108 1.00 0.00 C ATOM 0 H THR B 5 11.512 -1.100 7.403 1.00 0.00 H new ATOM 0 HA THR B 5 9.533 -2.926 6.539 1.00 0.00 H new ATOM 0 HB THR B 5 12.262 -2.512 5.277 1.00 0.00 H new ATOM 0 HG1 THR B 5 11.311 -0.592 4.300 1.00 0.00 H new ATOM 0 HG21 THR B 5 10.984 -2.679 3.176 1.00 0.00 H new ATOM 0 HG22 THR B 5 10.762 -4.120 4.196 1.00 0.00 H new ATOM 0 HG23 THR B 5 9.483 -2.886 4.109 1.00 0.00 H new ATOM 870 N ASP B 6 12.023 -4.239 8.001 1.00 0.00 N ATOM 871 CA ASP B 6 12.721 -5.465 8.379 1.00 0.00 C ATOM 872 C ASP B 6 11.810 -6.398 9.164 1.00 0.00 C ATOM 873 O ASP B 6 12.156 -7.558 9.406 1.00 0.00 O ATOM 874 CB ASP B 6 13.955 -5.145 9.230 1.00 0.00 C ATOM 875 CG ASP B 6 15.008 -4.348 8.488 1.00 0.00 C ATOM 876 OD1 ASP B 6 14.912 -3.102 8.465 1.00 0.00 O ATOM 877 OD2 ASP B 6 15.958 -4.958 7.957 1.00 0.00 O ATOM 0 H ASP B 6 12.220 -3.441 8.605 1.00 0.00 H new ATOM 0 HA ASP B 6 13.029 -5.959 7.457 1.00 0.00 H new ATOM 0 HB2 ASP B 6 13.643 -4.587 10.113 1.00 0.00 H new ATOM 0 HB3 ASP B 6 14.397 -6.078 9.581 1.00 0.00 H new ATOM 882 N ASP B 7 10.648 -5.897 9.562 1.00 0.00 N ATOM 883 CA ASP B 7 9.688 -6.711 10.298 1.00 0.00 C ATOM 884 C ASP B 7 8.523 -7.123 9.406 1.00 0.00 C ATOM 885 O ASP B 7 7.688 -7.940 9.794 1.00 0.00 O ATOM 886 CB ASP B 7 9.154 -5.950 11.516 1.00 0.00 C ATOM 887 CG ASP B 7 10.220 -5.683 12.559 1.00 0.00 C ATOM 888 OD1 ASP B 7 10.530 -6.599 13.354 1.00 0.00 O ATOM 889 OD2 ASP B 7 10.748 -4.553 12.601 1.00 0.00 O ATOM 0 H ASP B 7 10.348 -4.937 9.389 1.00 0.00 H new ATOM 0 HA ASP B 7 10.208 -7.608 10.635 1.00 0.00 H new ATOM 0 HB2 ASP B 7 8.729 -5.002 11.188 1.00 0.00 H new ATOM 0 HB3 ASP B 7 8.345 -6.522 11.969 1.00 0.00 H new ATOM 894 N LEU B 8 8.466 -6.557 8.207 1.00 0.00 N ATOM 895 CA LEU B 8 7.394 -6.874 7.267 1.00 0.00 C ATOM 896 C LEU B 8 7.942 -7.548 6.024 1.00 0.00 C ATOM 897 O LEU B 8 7.211 -8.218 5.292 1.00 0.00 O ATOM 898 CB LEU B 8 6.606 -5.624 6.886 1.00 0.00 C ATOM 899 CG LEU B 8 5.710 -5.069 7.992 1.00 0.00 C ATOM 900 CD1 LEU B 8 6.516 -4.271 9.005 1.00 0.00 C ATOM 901 CD2 LEU B 8 4.596 -4.224 7.403 1.00 0.00 C ATOM 0 H LEU B 8 9.145 -5.879 7.862 1.00 0.00 H new ATOM 0 HA LEU B 8 6.716 -7.567 7.766 1.00 0.00 H new ATOM 0 HB2 LEU B 8 7.308 -4.847 6.583 1.00 0.00 H new ATOM 0 HB3 LEU B 8 5.988 -5.852 6.017 1.00 0.00 H new ATOM 0 HG LEU B 8 5.261 -5.913 8.516 1.00 0.00 H new ATOM 0 HD11 LEU B 8 5.851 -3.889 9.779 1.00 0.00 H new ATOM 0 HD12 LEU B 8 7.269 -4.915 9.459 1.00 0.00 H new ATOM 0 HD13 LEU B 8 7.006 -3.436 8.504 1.00 0.00 H new ATOM 0 HD21 LEU B 8 3.969 -3.838 8.206 1.00 0.00 H new ATOM 0 HD22 LEU B 8 5.026 -3.391 6.846 1.00 0.00 H new ATOM 0 HD23 LEU B 8 3.992 -4.835 6.733 1.00 0.00 H new ATOM 913 N GLU B 9 9.233 -7.374 5.803 1.00 0.00 N ATOM 914 CA GLU B 9 9.932 -8.064 4.738 1.00 0.00 C ATOM 915 C GLU B 9 11.307 -8.490 5.236 1.00 0.00 C ATOM 916 O GLU B 9 11.982 -7.761 5.959 1.00 0.00 O ATOM 917 CB GLU B 9 10.051 -7.220 3.453 1.00 0.00 C ATOM 918 CG GLU B 9 8.720 -6.999 2.736 1.00 0.00 C ATOM 919 CD GLU B 9 8.855 -6.814 1.229 1.00 0.00 C ATOM 920 OE1 GLU B 9 9.232 -5.710 0.783 1.00 0.00 O ATOM 921 OE2 GLU B 9 8.546 -7.769 0.471 1.00 0.00 O ATOM 0 H GLU B 9 9.823 -6.752 6.356 1.00 0.00 H new ATOM 0 HA GLU B 9 9.345 -8.942 4.468 1.00 0.00 H new ATOM 0 HB2 GLU B 9 10.483 -6.251 3.704 1.00 0.00 H new ATOM 0 HB3 GLU B 9 10.744 -7.711 2.770 1.00 0.00 H new ATOM 0 HG2 GLU B 9 8.068 -7.850 2.931 1.00 0.00 H new ATOM 0 HG3 GLU B 9 8.232 -6.120 3.158 1.00 0.00 H new ATOM 928 N VAL B 10 11.697 -9.683 4.856 1.00 0.00 N ATOM 929 CA VAL B 10 12.929 -10.283 5.310 1.00 0.00 C ATOM 930 C VAL B 10 13.678 -10.812 4.102 1.00 0.00 C ATOM 931 O VAL B 10 13.064 -11.201 3.113 1.00 0.00 O ATOM 932 CB VAL B 10 12.649 -11.426 6.321 1.00 0.00 C ATOM 933 CG1 VAL B 10 11.711 -12.468 5.728 1.00 0.00 C ATOM 934 CG2 VAL B 10 13.941 -12.083 6.780 1.00 0.00 C ATOM 0 H VAL B 10 11.163 -10.271 4.216 1.00 0.00 H new ATOM 0 HA VAL B 10 13.532 -9.534 5.823 1.00 0.00 H new ATOM 0 HB VAL B 10 12.163 -10.980 7.189 1.00 0.00 H new ATOM 0 HG11 VAL B 10 11.534 -13.256 6.460 1.00 0.00 H new ATOM 0 HG12 VAL B 10 10.764 -11.997 5.465 1.00 0.00 H new ATOM 0 HG13 VAL B 10 12.163 -12.898 4.834 1.00 0.00 H new ATOM 0 HG21 VAL B 10 13.713 -12.880 7.488 1.00 0.00 H new ATOM 0 HG22 VAL B 10 14.463 -12.501 5.919 1.00 0.00 H new ATOM 0 HG23 VAL B 10 14.576 -11.340 7.263 1.00 0.00 H new ATOM 944 N ALA B 11 14.996 -10.811 4.160 1.00 0.00 N ATOM 945 CA ALA B 11 15.789 -11.258 3.040 1.00 0.00 C ATOM 946 C ALA B 11 15.546 -12.740 2.766 1.00 0.00 C ATOM 947 O ALA B 11 15.592 -13.567 3.678 1.00 0.00 O ATOM 948 CB ALA B 11 17.254 -10.975 3.338 1.00 0.00 C ATOM 0 H ALA B 11 15.535 -10.506 4.970 1.00 0.00 H new ATOM 0 HA ALA B 11 15.500 -10.718 2.139 1.00 0.00 H new ATOM 0 HB1 ALA B 11 17.867 -11.308 2.500 1.00 0.00 H new ATOM 0 HB2 ALA B 11 17.395 -9.905 3.488 1.00 0.00 H new ATOM 0 HB3 ALA B 11 17.552 -11.510 4.240 1.00 0.00 H new ATOM 954 N CYS B 12 15.281 -13.055 1.496 1.00 0.00 N ATOM 955 CA CYS B 12 14.808 -14.364 1.056 1.00 0.00 C ATOM 956 C CYS B 12 15.866 -15.463 1.287 1.00 0.00 C ATOM 957 O CYS B 12 17.038 -15.146 1.440 1.00 0.00 O ATOM 958 CB CYS B 12 14.489 -14.226 -0.442 1.00 0.00 C ATOM 959 SG CYS B 12 13.737 -15.667 -1.234 1.00 0.00 S ATOM 0 H CYS B 12 15.393 -12.391 0.730 1.00 0.00 H new ATOM 0 HA CYS B 12 13.930 -14.664 1.628 1.00 0.00 H new ATOM 0 HB2 CYS B 12 13.820 -13.375 -0.573 1.00 0.00 H new ATOM 0 HB3 CYS B 12 15.413 -13.989 -0.969 1.00 0.00 H new ATOM 0 HG CYS B 12 12.857 -15.273 -2.106 1.00 0.00 H new ATOM 964 N PRO B 13 15.462 -16.759 1.327 1.00 0.00 N ATOM 965 CA PRO B 13 16.376 -17.907 1.448 1.00 0.00 C ATOM 966 C PRO B 13 17.755 -17.705 0.810 1.00 0.00 C ATOM 967 O PRO B 13 18.778 -18.022 1.418 1.00 0.00 O ATOM 968 CB PRO B 13 15.605 -18.986 0.698 1.00 0.00 C ATOM 969 CG PRO B 13 14.172 -18.720 1.022 1.00 0.00 C ATOM 970 CD PRO B 13 14.061 -17.231 1.308 1.00 0.00 C ATOM 0 HA PRO B 13 16.615 -18.121 2.490 1.00 0.00 H new ATOM 0 HB2 PRO B 13 15.786 -18.929 -0.375 1.00 0.00 H new ATOM 0 HB3 PRO B 13 15.905 -19.983 1.019 1.00 0.00 H new ATOM 0 HG2 PRO B 13 13.527 -19.004 0.190 1.00 0.00 H new ATOM 0 HG3 PRO B 13 13.855 -19.305 1.885 1.00 0.00 H new ATOM 0 HD2 PRO B 13 13.479 -16.720 0.540 1.00 0.00 H new ATOM 0 HD3 PRO B 13 13.565 -17.044 2.261 1.00 0.00 H new ATOM 978 N LYS B 14 17.793 -17.149 -0.408 1.00 0.00 N ATOM 979 CA LYS B 14 19.067 -17.074 -1.132 1.00 0.00 C ATOM 980 C LYS B 14 19.107 -16.043 -2.265 1.00 0.00 C ATOM 981 O LYS B 14 20.143 -15.908 -2.913 1.00 0.00 O ATOM 982 CB LYS B 14 19.449 -18.445 -1.704 1.00 0.00 C ATOM 983 CG LYS B 14 18.439 -18.991 -2.700 1.00 0.00 C ATOM 984 CD LYS B 14 18.960 -20.213 -3.462 1.00 0.00 C ATOM 985 CE LYS B 14 19.860 -19.835 -4.646 1.00 0.00 C ATOM 986 NZ LYS B 14 21.216 -19.388 -4.216 1.00 0.00 N ATOM 0 H LYS B 14 16.988 -16.758 -0.898 1.00 0.00 H new ATOM 0 HA LYS B 14 19.786 -16.744 -0.382 1.00 0.00 H new ATOM 0 HB2 LYS B 14 20.422 -18.368 -2.190 1.00 0.00 H new ATOM 0 HB3 LYS B 14 19.558 -19.154 -0.884 1.00 0.00 H new ATOM 0 HG2 LYS B 14 17.524 -19.260 -2.172 1.00 0.00 H new ATOM 0 HG3 LYS B 14 18.178 -18.208 -3.412 1.00 0.00 H new ATOM 0 HD2 LYS B 14 19.517 -20.852 -2.777 1.00 0.00 H new ATOM 0 HD3 LYS B 14 18.114 -20.797 -3.826 1.00 0.00 H new ATOM 0 HE2 LYS B 14 19.958 -20.693 -5.311 1.00 0.00 H new ATOM 0 HE3 LYS B 14 19.384 -19.040 -5.220 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 21.910 -19.626 -4.953 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 21.211 -18.359 -4.065 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 21.475 -19.867 -3.330 1.00 0.00 H new ATOM 1000 N CYS B 15 18.023 -15.318 -2.565 1.00 0.00 N ATOM 1001 CA CYS B 15 18.142 -14.361 -3.673 1.00 0.00 C ATOM 1002 C CYS B 15 17.960 -12.906 -3.231 1.00 0.00 C ATOM 1003 O CYS B 15 17.433 -12.084 -3.984 1.00 0.00 O ATOM 1004 CB CYS B 15 17.093 -14.710 -4.740 1.00 0.00 C ATOM 1005 SG CYS B 15 15.387 -14.503 -4.188 1.00 0.00 S ATOM 0 H CYS B 15 17.117 -15.365 -2.098 1.00 0.00 H new ATOM 0 HA CYS B 15 19.153 -14.443 -4.072 1.00 0.00 H new ATOM 0 HB2 CYS B 15 17.259 -14.084 -5.616 1.00 0.00 H new ATOM 0 HB3 CYS B 15 17.239 -15.743 -5.054 1.00 0.00 H new ATOM 0 HG CYS B 15 14.634 -15.395 -4.761 1.00 0.00 H new ATOM 1010 N GLU B 16 18.501 -12.567 -2.066 1.00 0.00 N ATOM 1011 CA GLU B 16 18.388 -11.223 -1.512 1.00 0.00 C ATOM 1012 C GLU B 16 19.543 -10.386 -2.004 1.00 0.00 C ATOM 1013 O GLU B 16 19.951 -9.413 -1.371 1.00 0.00 O ATOM 1014 CB GLU B 16 18.461 -11.278 0.023 1.00 0.00 C ATOM 1015 CG GLU B 16 18.396 -12.676 0.606 1.00 0.00 C ATOM 1016 CD GLU B 16 19.744 -13.365 0.584 1.00 0.00 C ATOM 1017 OE1 GLU B 16 20.126 -13.890 -0.477 1.00 0.00 O ATOM 1018 OE2 GLU B 16 20.439 -13.367 1.620 1.00 0.00 O ATOM 0 H GLU B 16 19.029 -13.214 -1.481 1.00 0.00 H new ATOM 0 HA GLU B 16 17.437 -10.793 -1.824 1.00 0.00 H new ATOM 0 HB2 GLU B 16 19.388 -10.806 0.347 1.00 0.00 H new ATOM 0 HB3 GLU B 16 17.642 -10.688 0.434 1.00 0.00 H new ATOM 0 HG2 GLU B 16 18.033 -12.624 1.632 1.00 0.00 H new ATOM 0 HG3 GLU B 16 17.676 -13.270 0.043 1.00 0.00 H new ATOM 1025 N ARG B 17 20.066 -10.770 -3.152 1.00 0.00 N ATOM 1026 CA ARG B 17 21.327 -10.260 -3.615 1.00 0.00 C ATOM 1027 C ARG B 17 21.292 -10.227 -5.143 1.00 0.00 C ATOM 1028 O ARG B 17 22.018 -9.476 -5.782 1.00 0.00 O ATOM 1029 CB ARG B 17 22.466 -11.155 -3.111 1.00 0.00 C ATOM 1030 CG ARG B 17 22.380 -12.592 -3.620 1.00 0.00 C ATOM 1031 CD ARG B 17 23.257 -13.537 -2.814 1.00 0.00 C ATOM 1032 NE ARG B 17 22.700 -13.802 -1.486 1.00 0.00 N ATOM 1033 CZ ARG B 17 23.374 -14.371 -0.489 1.00 0.00 C ATOM 1034 NH1 ARG B 17 24.635 -14.748 -0.663 1.00 0.00 N ATOM 1035 NH2 ARG B 17 22.781 -14.568 0.678 1.00 0.00 N ATOM 0 H ARG B 17 19.626 -11.441 -3.782 1.00 0.00 H new ATOM 0 HA ARG B 17 21.500 -9.254 -3.232 1.00 0.00 H new ATOM 0 HB2 ARG B 17 23.419 -10.725 -3.419 1.00 0.00 H new ATOM 0 HB3 ARG B 17 22.457 -11.162 -2.021 1.00 0.00 H new ATOM 0 HG2 ARG B 17 21.345 -12.931 -3.575 1.00 0.00 H new ATOM 0 HG3 ARG B 17 22.680 -12.624 -4.667 1.00 0.00 H new ATOM 0 HD2 ARG B 17 23.370 -14.477 -3.354 1.00 0.00 H new ATOM 0 HD3 ARG B 17 24.253 -13.108 -2.710 1.00 0.00 H new ATOM 0 HE ARG B 17 21.731 -13.533 -1.313 1.00 0.00 H new ATOM 0 HH11 ARG B 17 25.091 -14.602 -1.563 1.00 0.00 H new ATOM 0 HH12 ARG B 17 25.148 -15.184 0.104 1.00 0.00 H new ATOM 0 HH21 ARG B 17 21.810 -14.284 0.811 1.00 0.00 H new ATOM 0 HH22 ARG B 17 23.295 -15.004 1.444 1.00 0.00 H new ATOM 1049 N ALA B 18 20.408 -11.063 -5.712 1.00 0.00 N ATOM 1050 CA ALA B 18 20.434 -11.320 -7.148 1.00 0.00 C ATOM 1051 C ALA B 18 19.086 -11.090 -7.830 1.00 0.00 C ATOM 1052 O ALA B 18 19.027 -10.482 -8.896 1.00 0.00 O ATOM 1053 CB ALA B 18 20.920 -12.735 -7.424 1.00 0.00 C ATOM 0 H ALA B 18 19.679 -11.563 -5.202 1.00 0.00 H new ATOM 0 HA ALA B 18 21.129 -10.597 -7.575 1.00 0.00 H new ATOM 0 HB1 ALA B 18 20.934 -12.912 -8.500 1.00 0.00 H new ATOM 0 HB2 ALA B 18 21.926 -12.859 -7.023 1.00 0.00 H new ATOM 0 HB3 ALA B 18 20.249 -13.450 -6.948 1.00 0.00 H new ATOM 1059 N GLY B 19 18.006 -11.567 -7.210 1.00 0.00 N ATOM 1060 CA GLY B 19 16.686 -11.447 -7.818 1.00 0.00 C ATOM 1061 C GLY B 19 16.262 -12.690 -8.582 1.00 0.00 C ATOM 1062 O GLY B 19 15.322 -12.646 -9.368 1.00 0.00 O ATOM 0 H GLY B 19 18.020 -12.032 -6.302 1.00 0.00 H new ATOM 0 HA2 GLY B 19 15.952 -11.240 -7.039 1.00 0.00 H new ATOM 0 HA3 GLY B 19 16.682 -10.593 -8.496 1.00 0.00 H new ATOM 1066 N GLU B 20 16.921 -13.807 -8.318 1.00 0.00 N ATOM 1067 CA GLU B 20 16.628 -15.050 -9.024 1.00 0.00 C ATOM 1068 C GLU B 20 17.128 -16.242 -8.227 1.00 0.00 C ATOM 1069 O GLU B 20 17.939 -16.089 -7.313 1.00 0.00 O ATOM 1070 CB GLU B 20 17.268 -15.059 -10.416 1.00 0.00 C ATOM 1071 CG GLU B 20 18.665 -14.468 -10.447 1.00 0.00 C ATOM 1072 CD GLU B 20 19.408 -14.795 -11.722 1.00 0.00 C ATOM 1073 OE1 GLU B 20 20.088 -15.838 -11.762 1.00 0.00 O ATOM 1074 OE2 GLU B 20 19.334 -13.998 -12.681 1.00 0.00 O ATOM 0 H GLU B 20 17.662 -13.881 -7.621 1.00 0.00 H new ATOM 0 HA GLU B 20 15.546 -15.120 -9.138 1.00 0.00 H new ATOM 0 HB2 GLU B 20 17.309 -16.085 -10.781 1.00 0.00 H new ATOM 0 HB3 GLU B 20 16.631 -14.501 -11.103 1.00 0.00 H new ATOM 0 HG2 GLU B 20 18.600 -13.386 -10.337 1.00 0.00 H new ATOM 0 HG3 GLU B 20 19.232 -14.842 -9.595 1.00 0.00 H new ATOM 1081 N ILE B 21 16.647 -17.416 -8.585 1.00 0.00 N ATOM 1082 CA ILE B 21 17.076 -18.656 -7.962 1.00 0.00 C ATOM 1083 C ILE B 21 17.134 -19.710 -9.033 1.00 0.00 C ATOM 1084 O ILE B 21 16.120 -20.042 -9.648 1.00 0.00 O ATOM 1085 CB ILE B 21 16.160 -19.100 -6.787 1.00 0.00 C ATOM 1086 CG1 ILE B 21 16.348 -18.120 -5.610 1.00 0.00 C ATOM 1087 CG2 ILE B 21 16.448 -20.542 -6.353 1.00 0.00 C ATOM 1088 CD1 ILE B 21 15.551 -18.421 -4.354 1.00 0.00 C ATOM 0 H ILE B 21 15.947 -17.539 -9.317 1.00 0.00 H new ATOM 0 HA ILE B 21 18.058 -18.502 -7.515 1.00 0.00 H new ATOM 0 HB ILE B 21 15.123 -19.077 -7.122 1.00 0.00 H new ATOM 0 HG12 ILE B 21 17.406 -18.098 -5.348 1.00 0.00 H new ATOM 0 HG13 ILE B 21 16.084 -17.119 -5.952 1.00 0.00 H new ATOM 0 HG21 ILE B 21 15.787 -20.813 -5.530 1.00 0.00 H new ATOM 0 HG22 ILE B 21 16.277 -21.216 -7.193 1.00 0.00 H new ATOM 0 HG23 ILE B 21 17.485 -20.624 -6.027 1.00 0.00 H new ATOM 0 HD11 ILE B 21 15.765 -17.666 -3.598 1.00 0.00 H new ATOM 0 HD12 ILE B 21 14.486 -18.410 -4.587 1.00 0.00 H new ATOM 0 HD13 ILE B 21 15.829 -19.404 -3.974 1.00 0.00 H new ATOM 1100 N GLU B 22 18.330 -20.220 -9.237 1.00 0.00 N ATOM 1101 CA GLU B 22 18.617 -21.090 -10.358 1.00 0.00 C ATOM 1102 C GLU B 22 18.335 -20.376 -11.686 1.00 0.00 C ATOM 1103 O GLU B 22 17.712 -20.938 -12.582 1.00 0.00 O ATOM 1104 CB GLU B 22 17.756 -22.348 -10.239 1.00 0.00 C ATOM 1105 CG GLU B 22 18.521 -23.622 -10.514 1.00 0.00 C ATOM 1106 CD GLU B 22 19.745 -23.682 -9.630 1.00 0.00 C ATOM 1107 OE1 GLU B 22 19.584 -23.771 -8.393 1.00 0.00 O ATOM 1108 OE2 GLU B 22 20.873 -23.589 -10.153 1.00 0.00 O ATOM 0 H GLU B 22 19.131 -20.043 -8.630 1.00 0.00 H new ATOM 0 HA GLU B 22 19.672 -21.362 -10.343 1.00 0.00 H new ATOM 0 HB2 GLU B 22 17.331 -22.396 -9.236 1.00 0.00 H new ATOM 0 HB3 GLU B 22 16.921 -22.276 -10.936 1.00 0.00 H new ATOM 0 HG2 GLU B 22 17.884 -24.487 -10.329 1.00 0.00 H new ATOM 0 HG3 GLU B 22 18.816 -23.662 -11.563 1.00 0.00 H new ATOM 1115 N GLY B 23 18.778 -19.120 -11.806 1.00 0.00 N ATOM 1116 CA GLY B 23 18.487 -18.323 -13.004 1.00 0.00 C ATOM 1117 C GLY B 23 17.010 -18.277 -13.334 1.00 0.00 C ATOM 1118 O GLY B 23 16.599 -18.040 -14.471 1.00 0.00 O ATOM 0 H GLY B 23 19.332 -18.638 -11.099 1.00 0.00 H new ATOM 0 HA2 GLY B 23 18.853 -17.307 -12.857 1.00 0.00 H new ATOM 0 HA3 GLY B 23 19.031 -18.738 -13.852 1.00 0.00 H new ATOM 1122 N THR B 24 16.235 -18.528 -12.324 1.00 0.00 N ATOM 1123 CA THR B 24 14.821 -18.734 -12.448 1.00 0.00 C ATOM 1124 C THR B 24 14.068 -17.782 -11.515 1.00 0.00 C ATOM 1125 O THR B 24 14.564 -17.446 -10.434 1.00 0.00 O ATOM 1126 CB THR B 24 14.560 -20.219 -12.114 1.00 0.00 C ATOM 1127 OG1 THR B 24 14.594 -21.013 -13.310 1.00 0.00 O ATOM 1128 CG2 THR B 24 13.254 -20.444 -11.374 1.00 0.00 C ATOM 0 H THR B 24 16.575 -18.597 -11.365 1.00 0.00 H new ATOM 0 HA THR B 24 14.462 -18.518 -13.454 1.00 0.00 H new ATOM 0 HB THR B 24 15.359 -20.531 -11.442 1.00 0.00 H new ATOM 0 HG1 THR B 24 14.429 -21.952 -13.084 1.00 0.00 H new ATOM 0 HG21 THR B 24 13.130 -21.507 -11.169 1.00 0.00 H new ATOM 0 HG22 THR B 24 13.269 -19.893 -10.434 1.00 0.00 H new ATOM 0 HG23 THR B 24 12.424 -20.094 -11.987 1.00 0.00 H new ATOM 1136 N PRO B 25 12.884 -17.298 -11.941 1.00 0.00 N ATOM 1137 CA PRO B 25 12.071 -16.377 -11.140 1.00 0.00 C ATOM 1138 C PRO B 25 11.706 -16.979 -9.786 1.00 0.00 C ATOM 1139 O PRO B 25 11.166 -18.081 -9.702 1.00 0.00 O ATOM 1140 CB PRO B 25 10.826 -16.132 -12.000 1.00 0.00 C ATOM 1141 CG PRO B 25 10.808 -17.261 -12.976 1.00 0.00 C ATOM 1142 CD PRO B 25 12.245 -17.619 -13.223 1.00 0.00 C ATOM 0 HA PRO B 25 12.602 -15.455 -10.905 1.00 0.00 H new ATOM 0 HB2 PRO B 25 9.921 -16.120 -11.392 1.00 0.00 H new ATOM 0 HB3 PRO B 25 10.880 -15.170 -12.509 1.00 0.00 H new ATOM 0 HG2 PRO B 25 10.257 -18.113 -12.577 1.00 0.00 H new ATOM 0 HG3 PRO B 25 10.314 -16.968 -13.903 1.00 0.00 H new ATOM 0 HD2 PRO B 25 12.361 -18.672 -13.481 1.00 0.00 H new ATOM 0 HD3 PRO B 25 12.671 -17.041 -14.043 1.00 0.00 H new ATOM 1150 N CYS B 26 12.007 -16.243 -8.732 1.00 0.00 N ATOM 1151 CA CYS B 26 11.937 -16.774 -7.380 1.00 0.00 C ATOM 1152 C CYS B 26 10.506 -16.786 -6.821 1.00 0.00 C ATOM 1153 O CYS B 26 9.787 -15.794 -6.921 1.00 0.00 O ATOM 1154 CB CYS B 26 12.860 -15.963 -6.475 1.00 0.00 C ATOM 1155 SG CYS B 26 12.835 -16.484 -4.729 1.00 0.00 S ATOM 0 H CYS B 26 12.304 -15.269 -8.786 1.00 0.00 H new ATOM 0 HA CYS B 26 12.263 -17.814 -7.412 1.00 0.00 H new ATOM 0 HB2 CYS B 26 13.880 -16.040 -6.852 1.00 0.00 H new ATOM 0 HB3 CYS B 26 12.577 -14.912 -6.534 1.00 0.00 H new ATOM 0 HG CYS B 26 13.250 -15.507 -3.979 1.00 0.00 H new ATOM 1160 N PRO B 27 10.121 -17.918 -6.178 1.00 0.00 N ATOM 1161 CA PRO B 27 8.776 -18.191 -5.634 1.00 0.00 C ATOM 1162 C PRO B 27 7.970 -16.976 -5.147 1.00 0.00 C ATOM 1163 O PRO B 27 6.881 -16.698 -5.647 1.00 0.00 O ATOM 1164 CB PRO B 27 9.102 -19.089 -4.442 1.00 0.00 C ATOM 1165 CG PRO B 27 10.313 -19.866 -4.846 1.00 0.00 C ATOM 1166 CD PRO B 27 10.998 -19.087 -5.957 1.00 0.00 C ATOM 0 HA PRO B 27 8.135 -18.605 -6.412 1.00 0.00 H new ATOM 0 HB2 PRO B 27 9.296 -18.498 -3.547 1.00 0.00 H new ATOM 0 HB3 PRO B 27 8.269 -19.753 -4.211 1.00 0.00 H new ATOM 0 HG2 PRO B 27 10.985 -19.999 -3.998 1.00 0.00 H new ATOM 0 HG3 PRO B 27 10.034 -20.862 -5.190 1.00 0.00 H new ATOM 0 HD2 PRO B 27 12.003 -18.781 -5.667 1.00 0.00 H new ATOM 0 HD3 PRO B 27 11.096 -19.687 -6.862 1.00 0.00 H new ATOM 1174 N ALA B 28 8.525 -16.248 -4.191 1.00 0.00 N ATOM 1175 CA ALA B 28 7.743 -15.273 -3.432 1.00 0.00 C ATOM 1176 C ALA B 28 8.286 -13.859 -3.590 1.00 0.00 C ATOM 1177 O ALA B 28 7.657 -12.885 -3.183 1.00 0.00 O ATOM 1178 CB ALA B 28 7.719 -15.671 -1.966 1.00 0.00 C ATOM 0 H ALA B 28 9.506 -16.309 -3.920 1.00 0.00 H new ATOM 0 HA ALA B 28 6.728 -15.273 -3.829 1.00 0.00 H new ATOM 0 HB1 ALA B 28 7.136 -14.944 -1.401 1.00 0.00 H new ATOM 0 HB2 ALA B 28 7.266 -16.657 -1.864 1.00 0.00 H new ATOM 0 HB3 ALA B 28 8.738 -15.698 -1.580 1.00 0.00 H new ATOM 1184 N CYS B 29 9.470 -13.753 -4.159 1.00 0.00 N ATOM 1185 CA CYS B 29 10.094 -12.458 -4.366 1.00 0.00 C ATOM 1186 C CYS B 29 10.563 -12.343 -5.809 1.00 0.00 C ATOM 1187 O CYS B 29 11.667 -12.779 -6.141 1.00 0.00 O ATOM 1188 CB CYS B 29 11.263 -12.287 -3.389 1.00 0.00 C ATOM 1189 SG CYS B 29 12.502 -13.594 -3.475 1.00 0.00 S ATOM 0 H CYS B 29 10.021 -14.547 -4.487 1.00 0.00 H new ATOM 0 HA CYS B 29 9.372 -11.664 -4.176 1.00 0.00 H new ATOM 0 HB2 CYS B 29 11.747 -11.330 -3.585 1.00 0.00 H new ATOM 0 HB3 CYS B 29 10.869 -12.243 -2.374 1.00 0.00 H new ATOM 0 HG CYS B 29 12.050 -14.574 -4.200 1.00 0.00 H new ATOM 1194 N SER B 30 9.717 -11.772 -6.666 1.00 0.00 N ATOM 1195 CA SER B 30 9.976 -11.682 -8.101 1.00 0.00 C ATOM 1196 C SER B 30 11.080 -10.677 -8.443 1.00 0.00 C ATOM 1197 O SER B 30 10.876 -9.760 -9.233 1.00 0.00 O ATOM 1198 CB SER B 30 8.679 -11.293 -8.811 1.00 0.00 C ATOM 1199 OG SER B 30 7.607 -12.129 -8.398 1.00 0.00 O ATOM 0 H SER B 30 8.829 -11.357 -6.382 1.00 0.00 H new ATOM 0 HA SER B 30 10.326 -12.657 -8.439 1.00 0.00 H new ATOM 0 HB2 SER B 30 8.439 -10.252 -8.594 1.00 0.00 H new ATOM 0 HB3 SER B 30 8.812 -11.371 -9.890 1.00 0.00 H new ATOM 0 HG SER B 30 6.786 -11.862 -8.863 1.00 0.00 H new ATOM 1205 N GLY B 31 12.240 -10.847 -7.834 1.00 0.00 N ATOM 1206 CA GLY B 31 13.386 -10.043 -8.189 1.00 0.00 C ATOM 1207 C GLY B 31 13.478 -8.779 -7.371 1.00 0.00 C ATOM 1208 O GLY B 31 13.777 -7.712 -7.896 1.00 0.00 O ATOM 0 H GLY B 31 12.409 -11.531 -7.096 1.00 0.00 H new ATOM 0 HA2 GLY B 31 14.294 -10.629 -8.050 1.00 0.00 H new ATOM 0 HA3 GLY B 31 13.332 -9.785 -9.247 1.00 0.00 H new ATOM 1212 N LYS B 32 13.227 -8.895 -6.070 1.00 0.00 N ATOM 1213 CA LYS B 32 13.271 -7.747 -5.176 1.00 0.00 C ATOM 1214 C LYS B 32 14.428 -7.918 -4.195 1.00 0.00 C ATOM 1215 O LYS B 32 15.160 -6.978 -3.898 1.00 0.00 O ATOM 1216 CB LYS B 32 11.967 -7.645 -4.386 1.00 0.00 C ATOM 1217 CG LYS B 32 10.734 -8.055 -5.176 1.00 0.00 C ATOM 1218 CD LYS B 32 9.460 -7.833 -4.381 1.00 0.00 C ATOM 1219 CE LYS B 32 9.575 -8.377 -2.965 1.00 0.00 C ATOM 1220 NZ LYS B 32 8.359 -8.092 -2.169 1.00 0.00 N ATOM 0 H LYS B 32 12.991 -9.776 -5.613 1.00 0.00 H new ATOM 0 HA LYS B 32 13.407 -6.842 -5.768 1.00 0.00 H new ATOM 0 HB2 LYS B 32 12.042 -8.272 -3.497 1.00 0.00 H new ATOM 0 HB3 LYS B 32 11.841 -6.618 -4.042 1.00 0.00 H new ATOM 0 HG2 LYS B 32 10.689 -7.484 -6.103 1.00 0.00 H new ATOM 0 HG3 LYS B 32 10.812 -9.106 -5.453 1.00 0.00 H new ATOM 0 HD2 LYS B 32 9.236 -6.767 -4.344 1.00 0.00 H new ATOM 0 HD3 LYS B 32 8.626 -8.316 -4.889 1.00 0.00 H new ATOM 0 HE2 LYS B 32 9.742 -9.453 -3.001 1.00 0.00 H new ATOM 0 HE3 LYS B 32 10.443 -7.936 -2.475 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 8.629 -7.634 -1.275 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 7.733 -7.459 -2.707 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 7.861 -8.982 -1.966 1.00 0.00 H new ATOM 1234 N GLY B 33 14.575 -9.144 -3.693 1.00 0.00 N ATOM 1235 CA GLY B 33 15.593 -9.448 -2.717 1.00 0.00 C ATOM 1236 C GLY B 33 14.987 -10.001 -1.439 1.00 0.00 C ATOM 1237 O GLY B 33 15.495 -10.962 -0.864 1.00 0.00 O ATOM 0 H GLY B 33 13.993 -9.939 -3.955 1.00 0.00 H new ATOM 0 HA2 GLY B 33 16.293 -10.173 -3.133 1.00 0.00 H new ATOM 0 HA3 GLY B 33 16.163 -8.547 -2.491 1.00 0.00 H new ATOM 1241 N VAL B 34 13.852 -9.444 -1.038 1.00 0.00 N ATOM 1242 CA VAL B 34 13.225 -9.815 0.227 1.00 0.00 C ATOM 1243 C VAL B 34 11.851 -10.459 0.027 1.00 0.00 C ATOM 1244 O VAL B 34 11.257 -10.370 -1.051 1.00 0.00 O ATOM 1245 CB VAL B 34 13.071 -8.583 1.145 1.00 0.00 C ATOM 1246 CG1 VAL B 34 14.431 -8.020 1.531 1.00 0.00 C ATOM 1247 CG2 VAL B 34 12.224 -7.513 0.472 1.00 0.00 C ATOM 0 H VAL B 34 13.346 -8.735 -1.568 1.00 0.00 H new ATOM 0 HA VAL B 34 13.884 -10.547 0.694 1.00 0.00 H new ATOM 0 HB VAL B 34 12.563 -8.903 2.055 1.00 0.00 H new ATOM 0 HG11 VAL B 34 14.296 -7.153 2.178 1.00 0.00 H new ATOM 0 HG12 VAL B 34 15.003 -8.782 2.060 1.00 0.00 H new ATOM 0 HG13 VAL B 34 14.970 -7.721 0.632 1.00 0.00 H new ATOM 0 HG21 VAL B 34 12.128 -6.654 1.136 1.00 0.00 H new ATOM 0 HG22 VAL B 34 12.702 -7.202 -0.457 1.00 0.00 H new ATOM 0 HG23 VAL B 34 11.235 -7.916 0.254 1.00 0.00 H new ATOM 1257 N ILE B 35 11.377 -11.121 1.078 1.00 0.00 N ATOM 1258 CA ILE B 35 10.051 -11.726 1.114 1.00 0.00 C ATOM 1259 C ILE B 35 9.302 -11.237 2.353 1.00 0.00 C ATOM 1260 O ILE B 35 9.915 -10.748 3.288 1.00 0.00 O ATOM 1261 CB ILE B 35 10.119 -13.268 1.141 1.00 0.00 C ATOM 1262 CG1 ILE B 35 11.111 -13.732 2.207 1.00 0.00 C ATOM 1263 CG2 ILE B 35 10.500 -13.810 -0.229 1.00 0.00 C ATOM 1264 CD1 ILE B 35 11.132 -15.229 2.420 1.00 0.00 C ATOM 0 H ILE B 35 11.909 -11.254 1.938 1.00 0.00 H new ATOM 0 HA ILE B 35 9.527 -11.428 0.206 1.00 0.00 H new ATOM 0 HB ILE B 35 9.134 -13.659 1.395 1.00 0.00 H new ATOM 0 HG12 ILE B 35 12.111 -13.402 1.926 1.00 0.00 H new ATOM 0 HG13 ILE B 35 10.868 -13.245 3.151 1.00 0.00 H new ATOM 0 HG21 ILE B 35 10.543 -14.898 -0.191 1.00 0.00 H new ATOM 0 HG22 ILE B 35 9.755 -13.502 -0.962 1.00 0.00 H new ATOM 0 HG23 ILE B 35 11.476 -13.418 -0.517 1.00 0.00 H new ATOM 0 HD11 ILE B 35 11.861 -15.477 3.191 1.00 0.00 H new ATOM 0 HD12 ILE B 35 10.144 -15.566 2.733 1.00 0.00 H new ATOM 0 HD13 ILE B 35 11.406 -15.725 1.489 1.00 0.00 H new ATOM 1276 N LEU B 36 7.987 -11.375 2.357 1.00 0.00 N ATOM 1277 CA LEU B 36 7.161 -10.768 3.404 1.00 0.00 C ATOM 1278 C LEU B 36 6.981 -11.646 4.636 1.00 0.00 C ATOM 1279 O LEU B 36 7.269 -12.843 4.628 1.00 0.00 O ATOM 1280 CB LEU B 36 5.784 -10.426 2.853 1.00 0.00 C ATOM 1281 CG LEU B 36 5.782 -9.489 1.655 1.00 0.00 C ATOM 1282 CD1 LEU B 36 5.738 -10.272 0.350 1.00 0.00 C ATOM 1283 CD2 LEU B 36 4.624 -8.522 1.758 1.00 0.00 C ATOM 0 H LEU B 36 7.464 -11.898 1.654 1.00 0.00 H new ATOM 0 HA LEU B 36 7.698 -9.873 3.717 1.00 0.00 H new ATOM 0 HB2 LEU B 36 5.283 -11.352 2.571 1.00 0.00 H new ATOM 0 HB3 LEU B 36 5.193 -9.973 3.649 1.00 0.00 H new ATOM 0 HG LEU B 36 6.709 -8.915 1.657 1.00 0.00 H new ATOM 0 HD11 LEU B 36 5.737 -9.578 -0.491 1.00 0.00 H new ATOM 0 HD12 LEU B 36 6.612 -10.920 0.285 1.00 0.00 H new ATOM 0 HD13 LEU B 36 4.833 -10.879 0.320 1.00 0.00 H new ATOM 0 HD21 LEU B 36 4.630 -7.854 0.896 1.00 0.00 H new ATOM 0 HD22 LEU B 36 3.687 -9.078 1.780 1.00 0.00 H new ATOM 0 HD23 LEU B 36 4.720 -7.936 2.672 1.00 0.00 H new ATOM 1295 N THR B 37 6.490 -11.005 5.695 1.00 0.00 N ATOM 1296 CA THR B 37 6.093 -11.674 6.926 1.00 0.00 C ATOM 1297 C THR B 37 4.570 -11.688 6.999 1.00 0.00 C ATOM 1298 O THR B 37 3.923 -11.161 6.106 1.00 0.00 O ATOM 1299 CB THR B 37 6.643 -10.936 8.164 1.00 0.00 C ATOM 1300 OG1 THR B 37 6.069 -9.622 8.245 1.00 0.00 O ATOM 1301 CG2 THR B 37 8.156 -10.808 8.103 1.00 0.00 C ATOM 0 H THR B 37 6.356 -9.994 5.720 1.00 0.00 H new ATOM 0 HA THR B 37 6.496 -12.687 6.921 1.00 0.00 H new ATOM 0 HB THR B 37 6.375 -11.519 9.045 1.00 0.00 H new ATOM 0 HG1 THR B 37 6.573 -9.084 8.891 1.00 0.00 H new ATOM 0 HG21 THR B 37 8.513 -10.284 8.989 1.00 0.00 H new ATOM 0 HG22 THR B 37 8.604 -11.801 8.064 1.00 0.00 H new ATOM 0 HG23 THR B 37 8.438 -10.248 7.212 1.00 0.00 H new ATOM 1309 N ALA B 38 3.989 -12.252 8.050 1.00 0.00 N ATOM 1310 CA ALA B 38 2.531 -12.308 8.163 1.00 0.00 C ATOM 1311 C ALA B 38 1.920 -10.909 8.174 1.00 0.00 C ATOM 1312 O ALA B 38 0.930 -10.652 7.480 1.00 0.00 O ATOM 1313 CB ALA B 38 2.118 -13.086 9.396 1.00 0.00 C ATOM 0 H ALA B 38 4.494 -12.673 8.829 1.00 0.00 H new ATOM 0 HA ALA B 38 2.149 -12.829 7.285 1.00 0.00 H new ATOM 0 HB1 ALA B 38 1.030 -13.115 9.460 1.00 0.00 H new ATOM 0 HB2 ALA B 38 2.505 -14.103 9.331 1.00 0.00 H new ATOM 0 HB3 ALA B 38 2.521 -12.600 10.285 1.00 0.00 H new ATOM 1319 N GLN B 39 2.500 -10.007 8.960 1.00 0.00 N ATOM 1320 CA GLN B 39 2.061 -8.611 8.967 1.00 0.00 C ATOM 1321 C GLN B 39 2.221 -7.984 7.580 1.00 0.00 C ATOM 1322 O GLN B 39 1.345 -7.256 7.113 1.00 0.00 O ATOM 1323 CB GLN B 39 2.841 -7.797 10.002 1.00 0.00 C ATOM 1324 CG GLN B 39 2.415 -6.342 10.062 1.00 0.00 C ATOM 1325 CD GLN B 39 3.161 -5.553 11.113 1.00 0.00 C ATOM 1326 OE1 GLN B 39 3.568 -6.091 12.139 1.00 0.00 O ATOM 1327 NE2 GLN B 39 3.342 -4.270 10.859 1.00 0.00 N ATOM 0 H GLN B 39 3.270 -10.213 9.597 1.00 0.00 H new ATOM 0 HA GLN B 39 1.005 -8.597 9.238 1.00 0.00 H new ATOM 0 HB2 GLN B 39 2.708 -8.249 10.985 1.00 0.00 H new ATOM 0 HB3 GLN B 39 3.905 -7.848 9.769 1.00 0.00 H new ATOM 0 HG2 GLN B 39 2.576 -5.881 9.087 1.00 0.00 H new ATOM 0 HG3 GLN B 39 1.346 -6.290 10.267 1.00 0.00 H new ATOM 0 HE21 GLN B 39 2.986 -3.866 9.993 1.00 0.00 H new ATOM 0 HE22 GLN B 39 3.838 -3.682 11.529 1.00 0.00 H new ATOM 1336 N GLY B 40 3.338 -8.291 6.931 1.00 0.00 N ATOM 1337 CA GLY B 40 3.584 -7.824 5.580 1.00 0.00 C ATOM 1338 C GLY B 40 2.620 -8.435 4.584 1.00 0.00 C ATOM 1339 O GLY B 40 2.206 -7.784 3.628 1.00 0.00 O ATOM 0 H GLY B 40 4.086 -8.863 7.323 1.00 0.00 H new ATOM 0 HA2 GLY B 40 3.496 -6.738 5.550 1.00 0.00 H new ATOM 0 HA3 GLY B 40 4.606 -8.069 5.292 1.00 0.00 H new ATOM 1343 N TYR B 41 2.243 -9.682 4.826 1.00 0.00 N ATOM 1344 CA TYR B 41 1.321 -10.389 3.956 1.00 0.00 C ATOM 1345 C TYR B 41 -0.082 -9.813 4.060 1.00 0.00 C ATOM 1346 O TYR B 41 -0.816 -9.774 3.071 1.00 0.00 O ATOM 1347 CB TYR B 41 1.294 -11.879 4.317 1.00 0.00 C ATOM 1348 CG TYR B 41 2.227 -12.749 3.494 1.00 0.00 C ATOM 1349 CD1 TYR B 41 1.845 -13.230 2.248 1.00 0.00 C ATOM 1350 CD2 TYR B 41 3.482 -13.100 3.971 1.00 0.00 C ATOM 1351 CE1 TYR B 41 2.690 -14.032 1.501 1.00 0.00 C ATOM 1352 CE2 TYR B 41 4.332 -13.900 3.232 1.00 0.00 C ATOM 1353 CZ TYR B 41 3.933 -14.363 1.997 1.00 0.00 C ATOM 1354 OH TYR B 41 4.777 -15.158 1.257 1.00 0.00 O ATOM 0 H TYR B 41 2.566 -10.227 5.625 1.00 0.00 H new ATOM 0 HA TYR B 41 1.668 -10.269 2.930 1.00 0.00 H new ATOM 0 HB2 TYR B 41 1.552 -11.988 5.370 1.00 0.00 H new ATOM 0 HB3 TYR B 41 0.276 -12.249 4.199 1.00 0.00 H new ATOM 0 HD1 TYR B 41 0.872 -12.974 1.856 1.00 0.00 H new ATOM 0 HD2 TYR B 41 3.800 -12.741 4.939 1.00 0.00 H new ATOM 0 HE1 TYR B 41 2.377 -14.397 0.534 1.00 0.00 H new ATOM 0 HE2 TYR B 41 5.305 -14.161 3.621 1.00 0.00 H new ATOM 0 HH TYR B 41 5.613 -15.295 1.750 1.00 0.00 H new ATOM 1364 N THR B 42 -0.448 -9.335 5.236 1.00 0.00 N ATOM 1365 CA THR B 42 -1.738 -8.681 5.411 1.00 0.00 C ATOM 1366 C THR B 42 -1.759 -7.331 4.689 1.00 0.00 C ATOM 1367 O THR B 42 -2.784 -6.905 4.151 1.00 0.00 O ATOM 1368 CB THR B 42 -2.037 -8.468 6.905 1.00 0.00 C ATOM 1369 OG1 THR B 42 -1.829 -9.693 7.617 1.00 0.00 O ATOM 1370 CG2 THR B 42 -3.468 -7.993 7.112 1.00 0.00 C ATOM 0 H THR B 42 0.123 -9.385 6.080 1.00 0.00 H new ATOM 0 HA THR B 42 -2.504 -9.327 4.982 1.00 0.00 H new ATOM 0 HB THR B 42 -1.362 -7.701 7.285 1.00 0.00 H new ATOM 0 HG1 THR B 42 -0.869 -9.881 7.670 1.00 0.00 H new ATOM 0 HG21 THR B 42 -3.654 -7.850 8.177 1.00 0.00 H new ATOM 0 HG22 THR B 42 -3.618 -7.049 6.588 1.00 0.00 H new ATOM 0 HG23 THR B 42 -4.159 -8.739 6.720 1.00 0.00 H new ATOM 1378 N LEU B 43 -0.601 -6.696 4.626 1.00 0.00 N ATOM 1379 CA LEU B 43 -0.483 -5.377 4.030 1.00 0.00 C ATOM 1380 C LEU B 43 -0.254 -5.493 2.531 1.00 0.00 C ATOM 1381 O LEU B 43 -0.482 -4.537 1.800 1.00 0.00 O ATOM 1382 CB LEU B 43 0.664 -4.587 4.691 1.00 0.00 C ATOM 1383 CG LEU B 43 0.247 -3.545 5.747 1.00 0.00 C ATOM 1384 CD1 LEU B 43 -0.575 -4.202 6.841 1.00 0.00 C ATOM 1385 CD2 LEU B 43 1.478 -2.883 6.341 1.00 0.00 C ATOM 0 H LEU B 43 0.276 -7.076 4.983 1.00 0.00 H new ATOM 0 HA LEU B 43 -1.414 -4.836 4.198 1.00 0.00 H new ATOM 0 HB2 LEU B 43 1.345 -5.298 5.160 1.00 0.00 H new ATOM 0 HB3 LEU B 43 1.225 -4.077 3.908 1.00 0.00 H new ATOM 0 HG LEU B 43 -0.364 -2.783 5.264 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -0.862 -3.454 7.580 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -1.471 -4.645 6.406 1.00 0.00 H new ATOM 0 HD13 LEU B 43 0.017 -4.980 7.324 1.00 0.00 H new ATOM 0 HD21 LEU B 43 1.172 -2.148 7.086 1.00 0.00 H new ATOM 0 HD22 LEU B 43 2.106 -3.639 6.813 1.00 0.00 H new ATOM 0 HD23 LEU B 43 2.041 -2.386 5.551 1.00 0.00 H new ATOM 1397 N LEU B 44 0.145 -6.669 2.056 1.00 0.00 N ATOM 1398 CA LEU B 44 0.426 -6.836 0.639 1.00 0.00 C ATOM 1399 C LEU B 44 -0.867 -7.108 -0.117 1.00 0.00 C ATOM 1400 O LEU B 44 -1.111 -6.520 -1.161 1.00 0.00 O ATOM 1401 CB LEU B 44 1.478 -7.950 0.400 1.00 0.00 C ATOM 1402 CG LEU B 44 0.963 -9.374 0.105 1.00 0.00 C ATOM 1403 CD1 LEU B 44 0.480 -9.496 -1.337 1.00 0.00 C ATOM 1404 CD2 LEU B 44 2.054 -10.404 0.341 1.00 0.00 C ATOM 0 H LEU B 44 0.279 -7.506 2.623 1.00 0.00 H new ATOM 0 HA LEU B 44 0.857 -5.911 0.256 1.00 0.00 H new ATOM 0 HB2 LEU B 44 2.108 -7.642 -0.434 1.00 0.00 H new ATOM 0 HB3 LEU B 44 2.118 -8.001 1.281 1.00 0.00 H new ATOM 0 HG LEU B 44 0.130 -9.561 0.783 1.00 0.00 H new ATOM 0 HD11 LEU B 44 0.123 -10.510 -1.516 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -0.332 -8.789 -1.510 1.00 0.00 H new ATOM 0 HD13 LEU B 44 1.303 -9.276 -2.016 1.00 0.00 H new ATOM 0 HD21 LEU B 44 1.667 -11.400 0.126 1.00 0.00 H new ATOM 0 HD22 LEU B 44 2.900 -10.195 -0.314 1.00 0.00 H new ATOM 0 HD23 LEU B 44 2.380 -10.358 1.380 1.00 0.00 H new ATOM 1416 N ASP B 45 -1.706 -7.984 0.424 1.00 0.00 N ATOM 1417 CA ASP B 45 -2.935 -8.365 -0.258 1.00 0.00 C ATOM 1418 C ASP B 45 -3.929 -7.218 -0.213 1.00 0.00 C ATOM 1419 O ASP B 45 -4.812 -7.101 -1.065 1.00 0.00 O ATOM 1420 CB ASP B 45 -3.539 -9.612 0.385 1.00 0.00 C ATOM 1421 CG ASP B 45 -4.530 -10.309 -0.527 1.00 0.00 C ATOM 1422 OD1 ASP B 45 -5.706 -9.903 -0.568 1.00 0.00 O ATOM 1423 OD2 ASP B 45 -4.122 -11.266 -1.223 1.00 0.00 O ATOM 0 H ASP B 45 -1.559 -8.440 1.325 1.00 0.00 H new ATOM 0 HA ASP B 45 -2.702 -8.592 -1.298 1.00 0.00 H new ATOM 0 HB2 ASP B 45 -2.740 -10.306 0.647 1.00 0.00 H new ATOM 0 HB3 ASP B 45 -4.037 -9.334 1.314 1.00 0.00 H new ATOM 1428 N PHE B 46 -3.740 -6.335 0.755 1.00 0.00 N ATOM 1429 CA PHE B 46 -4.546 -5.133 0.859 1.00 0.00 C ATOM 1430 C PHE B 46 -4.130 -4.135 -0.199 1.00 0.00 C ATOM 1431 O PHE B 46 -4.972 -3.514 -0.844 1.00 0.00 O ATOM 1432 CB PHE B 46 -4.327 -4.519 2.243 1.00 0.00 C ATOM 1433 CG PHE B 46 -5.163 -3.308 2.552 1.00 0.00 C ATOM 1434 CD1 PHE B 46 -4.718 -2.037 2.219 1.00 0.00 C ATOM 1435 CD2 PHE B 46 -6.382 -3.438 3.197 1.00 0.00 C ATOM 1436 CE1 PHE B 46 -5.473 -0.923 2.519 1.00 0.00 C ATOM 1437 CE2 PHE B 46 -7.139 -2.327 3.504 1.00 0.00 C ATOM 1438 CZ PHE B 46 -6.684 -1.068 3.162 1.00 0.00 C ATOM 0 H PHE B 46 -3.031 -6.431 1.482 1.00 0.00 H new ATOM 0 HA PHE B 46 -5.597 -5.384 0.715 1.00 0.00 H new ATOM 0 HB2 PHE B 46 -4.530 -5.281 2.996 1.00 0.00 H new ATOM 0 HB3 PHE B 46 -3.276 -4.248 2.339 1.00 0.00 H new ATOM 0 HD1 PHE B 46 -3.768 -1.919 1.719 1.00 0.00 H new ATOM 0 HD2 PHE B 46 -6.744 -4.420 3.462 1.00 0.00 H new ATOM 0 HE1 PHE B 46 -5.117 0.061 2.251 1.00 0.00 H new ATOM 0 HE2 PHE B 46 -8.086 -2.441 4.011 1.00 0.00 H new ATOM 0 HZ PHE B 46 -7.277 -0.197 3.398 1.00 0.00 H new ATOM 1448 N ILE B 47 -2.840 -4.001 -0.411 1.00 0.00 N ATOM 1449 CA ILE B 47 -2.370 -3.036 -1.377 1.00 0.00 C ATOM 1450 C ILE B 47 -2.507 -3.587 -2.795 1.00 0.00 C ATOM 1451 O ILE B 47 -2.662 -2.835 -3.754 1.00 0.00 O ATOM 1452 CB ILE B 47 -0.923 -2.590 -1.088 1.00 0.00 C ATOM 1453 CG1 ILE B 47 0.031 -3.787 -1.133 1.00 0.00 C ATOM 1454 CG2 ILE B 47 -0.867 -1.910 0.270 1.00 0.00 C ATOM 1455 CD1 ILE B 47 1.464 -3.454 -0.772 1.00 0.00 C ATOM 0 H ILE B 47 -2.111 -4.536 0.062 1.00 0.00 H new ATOM 0 HA ILE B 47 -2.998 -2.149 -1.291 1.00 0.00 H new ATOM 0 HB ILE B 47 -0.607 -1.883 -1.855 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -0.335 -4.554 -0.451 1.00 0.00 H new ATOM 0 HG13 ILE B 47 0.011 -4.216 -2.135 1.00 0.00 H new ATOM 0 HG21 ILE B 47 0.155 -1.594 0.477 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -1.523 -1.039 0.268 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -1.193 -2.609 1.040 1.00 0.00 H new ATOM 0 HD11 ILE B 47 2.073 -4.356 -0.829 1.00 0.00 H new ATOM 0 HD12 ILE B 47 1.851 -2.711 -1.469 1.00 0.00 H new ATOM 0 HD13 ILE B 47 1.501 -3.055 0.242 1.00 0.00 H new ATOM 1467 N GLN B 48 -2.485 -4.907 -2.915 1.00 0.00 N ATOM 1468 CA GLN B 48 -2.873 -5.569 -4.145 1.00 0.00 C ATOM 1469 C GLN B 48 -4.279 -5.138 -4.538 1.00 0.00 C ATOM 1470 O GLN B 48 -4.480 -4.474 -5.535 1.00 0.00 O ATOM 1471 CB GLN B 48 -2.841 -7.090 -3.962 1.00 0.00 C ATOM 1472 CG GLN B 48 -1.442 -7.675 -3.857 1.00 0.00 C ATOM 1473 CD GLN B 48 -0.612 -7.430 -5.100 1.00 0.00 C ATOM 1474 OE1 GLN B 48 -1.145 -7.326 -6.202 1.00 0.00 O ATOM 1475 NE2 GLN B 48 0.696 -7.344 -4.932 1.00 0.00 N ATOM 0 H GLN B 48 -2.200 -5.541 -2.168 1.00 0.00 H new ATOM 0 HA GLN B 48 -2.170 -5.289 -4.930 1.00 0.00 H new ATOM 0 HB2 GLN B 48 -3.399 -7.348 -3.062 1.00 0.00 H new ATOM 0 HB3 GLN B 48 -3.356 -7.557 -4.802 1.00 0.00 H new ATOM 0 HG2 GLN B 48 -0.935 -7.241 -2.995 1.00 0.00 H new ATOM 0 HG3 GLN B 48 -1.514 -8.748 -3.678 1.00 0.00 H new ATOM 0 HE21 GLN B 48 1.097 -7.436 -3.999 1.00 0.00 H new ATOM 0 HE22 GLN B 48 1.304 -7.185 -5.735 1.00 0.00 H new ATOM 1484 N LYS B 49 -5.214 -5.416 -3.656 1.00 0.00 N ATOM 1485 CA LYS B 49 -6.641 -5.368 -3.952 1.00 0.00 C ATOM 1486 C LYS B 49 -7.214 -3.936 -3.939 1.00 0.00 C ATOM 1487 O LYS B 49 -8.421 -3.734 -4.076 1.00 0.00 O ATOM 1488 CB LYS B 49 -7.330 -6.343 -2.973 1.00 0.00 C ATOM 1489 CG LYS B 49 -8.841 -6.247 -2.849 1.00 0.00 C ATOM 1490 CD LYS B 49 -9.439 -7.575 -2.394 1.00 0.00 C ATOM 1491 CE LYS B 49 -8.706 -8.175 -1.195 1.00 0.00 C ATOM 1492 NZ LYS B 49 -9.166 -7.611 0.103 1.00 0.00 N ATOM 0 H LYS B 49 -5.007 -5.687 -2.695 1.00 0.00 H new ATOM 0 HA LYS B 49 -6.836 -5.688 -4.976 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -7.079 -7.360 -3.276 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -6.899 -6.190 -1.984 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -9.102 -5.464 -2.137 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -9.271 -5.961 -3.809 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -10.488 -7.427 -2.136 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -9.412 -8.283 -3.222 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -8.852 -9.255 -1.189 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -7.636 -7.999 -1.304 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -8.449 -7.793 0.834 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -9.308 -6.585 0.005 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -10.063 -8.060 0.378 1.00 0.00 H new ATOM 1506 N HIS B 50 -6.366 -2.926 -3.728 1.00 0.00 N ATOM 1507 CA HIS B 50 -6.805 -1.564 -4.081 1.00 0.00 C ATOM 1508 C HIS B 50 -5.968 -0.896 -5.182 1.00 0.00 C ATOM 1509 O HIS B 50 -6.278 0.227 -5.576 1.00 0.00 O ATOM 1510 CB HIS B 50 -6.800 -0.665 -2.843 1.00 0.00 C ATOM 1511 CG HIS B 50 -7.593 -1.221 -1.708 1.00 0.00 C ATOM 1512 ND1 HIS B 50 -7.036 -2.014 -0.736 1.00 0.00 N ATOM 1513 CD2 HIS B 50 -8.907 -1.132 -1.410 1.00 0.00 C ATOM 1514 CE1 HIS B 50 -7.963 -2.394 0.108 1.00 0.00 C ATOM 1515 NE2 HIS B 50 -9.110 -1.875 -0.273 1.00 0.00 N ATOM 0 H HIS B 50 -5.427 -3.008 -3.339 1.00 0.00 H new ATOM 0 HA HIS B 50 -7.814 -1.681 -4.477 1.00 0.00 H new ATOM 0 HB2 HIS B 50 -5.771 -0.512 -2.518 1.00 0.00 H new ATOM 0 HB3 HIS B 50 -7.199 0.313 -3.111 1.00 0.00 H new ATOM 0 HD1 HIS B 50 -6.050 -2.269 -0.679 1.00 0.00 H new ATOM 0 HD2 HIS B 50 -9.655 -0.582 -1.961 1.00 0.00 H new ATOM 0 HE1 HIS B 50 -7.811 -3.026 0.970 1.00 0.00 H new ATOM 0 HE2 HIS B 50 -10.005 -2.004 0.199 1.00 0.00 H new ATOM 1524 N LEU B 51 -4.922 -1.549 -5.682 1.00 0.00 N ATOM 1525 CA LEU B 51 -4.151 -0.969 -6.796 1.00 0.00 C ATOM 1526 C LEU B 51 -4.092 -1.910 -7.991 1.00 0.00 C ATOM 1527 O LEU B 51 -4.240 -1.495 -9.138 1.00 0.00 O ATOM 1528 CB LEU B 51 -2.705 -0.640 -6.393 1.00 0.00 C ATOM 1529 CG LEU B 51 -2.491 0.543 -5.433 1.00 0.00 C ATOM 1530 CD1 LEU B 51 -3.239 1.781 -5.901 1.00 0.00 C ATOM 1531 CD2 LEU B 51 -2.895 0.180 -4.022 1.00 0.00 C ATOM 0 H LEU B 51 -4.590 -2.455 -5.350 1.00 0.00 H new ATOM 0 HA LEU B 51 -4.676 -0.052 -7.064 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -2.272 -1.529 -5.934 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -2.138 -0.443 -7.303 1.00 0.00 H new ATOM 0 HG LEU B 51 -1.426 0.774 -5.435 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -3.066 2.597 -5.200 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -2.882 2.070 -6.890 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -4.306 1.565 -5.950 1.00 0.00 H new ATOM 0 HD21 LEU B 51 -2.733 1.035 -3.366 1.00 0.00 H new ATOM 0 HD22 LEU B 51 -3.949 -0.096 -4.005 1.00 0.00 H new ATOM 0 HD23 LEU B 51 -2.294 -0.661 -3.677 1.00 0.00 H new ATOM 1543 N ASN B 52 -3.863 -3.176 -7.707 1.00 0.00 N ATOM 1544 CA ASN B 52 -3.527 -4.162 -8.727 1.00 0.00 C ATOM 1545 C ASN B 52 -4.554 -5.290 -8.794 1.00 0.00 C ATOM 1546 O ASN B 52 -4.672 -5.978 -9.806 1.00 0.00 O ATOM 1547 CB ASN B 52 -2.138 -4.719 -8.426 1.00 0.00 C ATOM 1548 CG ASN B 52 -1.050 -4.069 -9.266 1.00 0.00 C ATOM 1549 OD1 ASN B 52 -1.275 -2.835 -9.688 1.00 0.00 O flip ATOM 1550 ND2 ASN B 52 -0.017 -4.678 -9.542 1.00 0.00 N flip ATOM 0 H ASN B 52 -3.904 -3.556 -6.761 1.00 0.00 H new ATOM 0 HA ASN B 52 -3.535 -3.674 -9.702 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -1.913 -4.571 -7.370 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -2.136 -5.794 -8.605 1.00 0.00 H new ATOM 0 HD21 ASN B 52 0.122 -5.628 -9.199 1.00 0.00 H new ATOM 0 HD22 ASN B 52 0.700 -4.232 -10.114 1.00 0.00 H new ATOM 1557 N LYS B 53 -5.289 -5.477 -7.721 1.00 0.00 N ATOM 1558 CA LYS B 53 -6.354 -6.453 -7.678 1.00 0.00 C ATOM 1559 C LYS B 53 -7.700 -5.741 -7.656 1.00 0.00 C ATOM 1560 O LYS B 53 -8.310 -5.591 -8.739 1.00 0.00 O ATOM 1561 CB LYS B 53 -6.212 -7.336 -6.438 1.00 0.00 C ATOM 1562 CG LYS B 53 -5.708 -8.733 -6.729 1.00 0.00 C ATOM 1563 CD LYS B 53 -6.048 -9.671 -5.582 1.00 0.00 C ATOM 1564 CE LYS B 53 -4.965 -9.717 -4.525 1.00 0.00 C ATOM 1565 NZ LYS B 53 -5.258 -10.766 -3.516 1.00 0.00 N ATOM 1566 OXT LYS B 53 -8.126 -5.309 -6.570 1.00 0.00 O ATOM 0 H LYS B 53 -5.165 -4.956 -6.853 1.00 0.00 H new ATOM 0 HA LYS B 53 -6.294 -7.083 -8.565 1.00 0.00 H new ATOM 0 HB2 LYS B 53 -5.530 -6.854 -5.738 1.00 0.00 H new ATOM 0 HB3 LYS B 53 -7.180 -7.406 -5.942 1.00 0.00 H new ATOM 0 HG2 LYS B 53 -6.154 -9.102 -7.653 1.00 0.00 H new ATOM 0 HG3 LYS B 53 -4.629 -8.712 -6.882 1.00 0.00 H new ATOM 0 HD2 LYS B 53 -6.984 -9.353 -5.123 1.00 0.00 H new ATOM 0 HD3 LYS B 53 -6.210 -10.675 -5.975 1.00 0.00 H new ATOM 0 HE2 LYS B 53 -4.001 -9.916 -4.994 1.00 0.00 H new ATOM 0 HE3 LYS B 53 -4.887 -8.746 -4.035 1.00 0.00 H new ATOM 0 HZ1 LYS B 53 -4.413 -10.933 -2.934 1.00 0.00 H new ATOM 0 HZ2 LYS B 53 -6.041 -10.453 -2.907 1.00 0.00 H new ATOM 0 HZ3 LYS B 53 -5.526 -11.647 -3.999 1.00 0.00 H new ATOM 1601 N VAL C 2 -7.577 4.972 13.908 1.00 0.00 N ATOM 1602 CA VAL C 2 -6.538 5.313 14.866 1.00 0.00 C ATOM 1603 C VAL C 2 -5.344 5.898 14.114 1.00 0.00 C ATOM 1604 O VAL C 2 -4.471 6.548 14.690 1.00 0.00 O ATOM 1605 CB VAL C 2 -6.107 4.071 15.686 1.00 0.00 C ATOM 1606 CG1 VAL C 2 -5.486 3.005 14.792 1.00 0.00 C ATOM 1607 CG2 VAL C 2 -5.149 4.461 16.802 1.00 0.00 C ATOM 0 HA VAL C 2 -6.928 6.050 15.568 1.00 0.00 H new ATOM 0 HB VAL C 2 -7.004 3.648 16.138 1.00 0.00 H new ATOM 0 HG11 VAL C 2 -5.194 2.147 15.398 1.00 0.00 H new ATOM 0 HG12 VAL C 2 -6.212 2.690 14.043 1.00 0.00 H new ATOM 0 HG13 VAL C 2 -4.606 3.414 14.295 1.00 0.00 H new ATOM 0 HG21 VAL C 2 -4.862 3.571 17.362 1.00 0.00 H new ATOM 0 HG22 VAL C 2 -4.260 4.923 16.373 1.00 0.00 H new ATOM 0 HG23 VAL C 2 -5.639 5.169 17.471 1.00 0.00 H new ATOM 1617 N ILE C 3 -5.344 5.671 12.808 1.00 0.00 N ATOM 1618 CA ILE C 3 -4.310 6.188 11.935 1.00 0.00 C ATOM 1619 C ILE C 3 -4.893 7.252 11.014 1.00 0.00 C ATOM 1620 O ILE C 3 -5.981 7.082 10.473 1.00 0.00 O ATOM 1621 CB ILE C 3 -3.658 5.061 11.092 1.00 0.00 C ATOM 1622 CG1 ILE C 3 -2.511 5.621 10.246 1.00 0.00 C ATOM 1623 CG2 ILE C 3 -4.695 4.376 10.204 1.00 0.00 C ATOM 1624 CD1 ILE C 3 -1.738 4.562 9.490 1.00 0.00 C ATOM 0 H ILE C 3 -6.060 5.125 12.329 1.00 0.00 H new ATOM 0 HA ILE C 3 -3.534 6.630 12.561 1.00 0.00 H new ATOM 0 HB ILE C 3 -3.252 4.315 11.776 1.00 0.00 H new ATOM 0 HG12 ILE C 3 -2.915 6.341 9.534 1.00 0.00 H new ATOM 0 HG13 ILE C 3 -1.825 6.165 10.895 1.00 0.00 H new ATOM 0 HG21 ILE C 3 -4.214 3.590 9.623 1.00 0.00 H new ATOM 0 HG22 ILE C 3 -5.476 3.940 10.827 1.00 0.00 H new ATOM 0 HG23 ILE C 3 -5.136 5.109 9.528 1.00 0.00 H new ATOM 0 HD11 ILE C 3 -0.942 5.034 8.914 1.00 0.00 H new ATOM 0 HD12 ILE C 3 -1.304 3.855 10.197 1.00 0.00 H new ATOM 0 HD13 ILE C 3 -2.411 4.033 8.814 1.00 0.00 H new ATOM 1636 N ALA C 4 -4.189 8.365 10.880 1.00 0.00 N ATOM 1637 CA ALA C 4 -4.604 9.419 9.973 1.00 0.00 C ATOM 1638 C ALA C 4 -3.465 9.777 9.030 1.00 0.00 C ATOM 1639 O ALA C 4 -2.289 9.692 9.391 1.00 0.00 O ATOM 1640 CB ALA C 4 -5.062 10.638 10.754 1.00 0.00 C ATOM 0 H ALA C 4 -3.327 8.560 11.389 1.00 0.00 H new ATOM 0 HA ALA C 4 -5.444 9.062 9.378 1.00 0.00 H new ATOM 0 HB1 ALA C 4 -5.370 11.420 10.060 1.00 0.00 H new ATOM 0 HB2 ALA C 4 -5.903 10.367 11.392 1.00 0.00 H new ATOM 0 HB3 ALA C 4 -4.242 11.004 11.372 1.00 0.00 H new ATOM 1646 N THR C 5 -3.829 10.181 7.818 1.00 0.00 N ATOM 1647 CA THR C 5 -2.869 10.470 6.761 1.00 0.00 C ATOM 1648 C THR C 5 -1.971 11.657 7.116 1.00 0.00 C ATOM 1649 O THR C 5 -0.946 11.877 6.481 1.00 0.00 O ATOM 1650 CB THR C 5 -3.606 10.767 5.439 1.00 0.00 C ATOM 1651 OG1 THR C 5 -4.724 9.879 5.301 1.00 0.00 O ATOM 1652 CG2 THR C 5 -2.682 10.598 4.240 1.00 0.00 C ATOM 0 H THR C 5 -4.801 10.317 7.541 1.00 0.00 H new ATOM 0 HA THR C 5 -2.239 9.588 6.646 1.00 0.00 H new ATOM 0 HB THR C 5 -3.948 11.802 5.468 1.00 0.00 H new ATOM 0 HG1 THR C 5 -5.192 10.070 4.461 1.00 0.00 H new ATOM 0 HG21 THR C 5 -3.231 10.814 3.324 1.00 0.00 H new ATOM 0 HG22 THR C 5 -1.841 11.285 4.329 1.00 0.00 H new ATOM 0 HG23 THR C 5 -2.312 9.573 4.208 1.00 0.00 H new ATOM 1660 N ASP C 6 -2.338 12.384 8.164 1.00 0.00 N ATOM 1661 CA ASP C 6 -1.617 13.591 8.557 1.00 0.00 C ATOM 1662 C ASP C 6 -0.360 13.251 9.343 1.00 0.00 C ATOM 1663 O ASP C 6 0.471 14.118 9.610 1.00 0.00 O ATOM 1664 CB ASP C 6 -2.513 14.491 9.415 1.00 0.00 C ATOM 1665 CG ASP C 6 -3.754 14.958 8.686 1.00 0.00 C ATOM 1666 OD1 ASP C 6 -4.712 14.164 8.565 1.00 0.00 O ATOM 1667 OD2 ASP C 6 -3.790 16.130 8.251 1.00 0.00 O ATOM 0 H ASP C 6 -3.134 12.158 8.760 1.00 0.00 H new ATOM 0 HA ASP C 6 -1.332 14.114 7.644 1.00 0.00 H new ATOM 0 HB2 ASP C 6 -2.808 13.949 10.314 1.00 0.00 H new ATOM 0 HB3 ASP C 6 -1.941 15.360 9.740 1.00 0.00 H new ATOM 1672 N ASP C 7 -0.221 11.991 9.728 1.00 0.00 N ATOM 1673 CA ASP C 7 0.957 11.556 10.469 1.00 0.00 C ATOM 1674 C ASP C 7 1.892 10.752 9.575 1.00 0.00 C ATOM 1675 O ASP C 7 3.003 10.403 9.971 1.00 0.00 O ATOM 1676 CB ASP C 7 0.549 10.723 11.687 1.00 0.00 C ATOM 1677 CG ASP C 7 -0.222 11.535 12.708 1.00 0.00 C ATOM 1678 OD1 ASP C 7 0.410 12.308 13.459 1.00 0.00 O ATOM 1679 OD2 ASP C 7 -1.465 11.420 12.758 1.00 0.00 O ATOM 0 H ASP C 7 -0.903 11.256 9.542 1.00 0.00 H new ATOM 0 HA ASP C 7 1.486 12.445 10.813 1.00 0.00 H new ATOM 0 HB2 ASP C 7 -0.061 9.881 11.360 1.00 0.00 H new ATOM 0 HB3 ASP C 7 1.441 10.308 12.155 1.00 0.00 H new ATOM 1684 N LEU C 8 1.443 10.468 8.360 1.00 0.00 N ATOM 1685 CA LEU C 8 2.257 9.720 7.410 1.00 0.00 C ATOM 1686 C LEU C 8 2.571 10.560 6.186 1.00 0.00 C ATOM 1687 O LEU C 8 3.522 10.282 5.455 1.00 0.00 O ATOM 1688 CB LEU C 8 1.570 8.418 6.999 1.00 0.00 C ATOM 1689 CG LEU C 8 1.534 7.343 8.085 1.00 0.00 C ATOM 1690 CD1 LEU C 8 0.427 7.616 9.093 1.00 0.00 C ATOM 1691 CD2 LEU C 8 1.373 5.968 7.467 1.00 0.00 C ATOM 0 H LEU C 8 0.525 10.742 8.010 1.00 0.00 H new ATOM 0 HA LEU C 8 3.194 9.468 7.906 1.00 0.00 H new ATOM 0 HB2 LEU C 8 0.547 8.643 6.696 1.00 0.00 H new ATOM 0 HB3 LEU C 8 2.080 8.014 6.124 1.00 0.00 H new ATOM 0 HG LEU C 8 2.484 7.371 8.619 1.00 0.00 H new ATOM 0 HD11 LEU C 8 0.426 6.835 9.853 1.00 0.00 H new ATOM 0 HD12 LEU C 8 0.597 8.583 9.567 1.00 0.00 H new ATOM 0 HD13 LEU C 8 -0.536 7.626 8.582 1.00 0.00 H new ATOM 0 HD21 LEU C 8 1.349 5.215 8.255 1.00 0.00 H new ATOM 0 HD22 LEU C 8 0.442 5.930 6.901 1.00 0.00 H new ATOM 0 HD23 LEU C 8 2.212 5.769 6.800 1.00 0.00 H new ATOM 1703 N GLU C 9 1.771 11.592 5.982 1.00 0.00 N ATOM 1704 CA GLU C 9 2.008 12.554 4.925 1.00 0.00 C ATOM 1705 C GLU C 9 1.687 13.949 5.441 1.00 0.00 C ATOM 1706 O GLU C 9 0.705 14.160 6.151 1.00 0.00 O ATOM 1707 CB GLU C 9 1.215 12.240 3.643 1.00 0.00 C ATOM 1708 CG GLU C 9 1.705 10.988 2.920 1.00 0.00 C ATOM 1709 CD GLU C 9 1.475 11.019 1.416 1.00 0.00 C ATOM 1710 OE1 GLU C 9 0.340 10.754 0.968 1.00 0.00 O ATOM 1711 OE2 GLU C 9 2.445 11.273 0.660 1.00 0.00 O ATOM 0 H GLU C 9 0.942 11.785 6.544 1.00 0.00 H new ATOM 0 HA GLU C 9 3.060 12.496 4.646 1.00 0.00 H new ATOM 0 HB2 GLU C 9 0.162 12.116 3.897 1.00 0.00 H new ATOM 0 HB3 GLU C 9 1.281 13.091 2.966 1.00 0.00 H new ATOM 0 HG2 GLU C 9 2.770 10.862 3.113 1.00 0.00 H new ATOM 0 HG3 GLU C 9 1.200 10.117 3.338 1.00 0.00 H new ATOM 1718 N VAL C 10 2.536 14.886 5.090 1.00 0.00 N ATOM 1719 CA VAL C 10 2.445 16.245 5.568 1.00 0.00 C ATOM 1720 C VAL C 10 2.534 17.178 4.375 1.00 0.00 C ATOM 1721 O VAL C 10 3.183 16.857 3.382 1.00 0.00 O ATOM 1722 CB VAL C 10 3.576 16.555 6.585 1.00 0.00 C ATOM 1723 CG1 VAL C 10 4.943 16.271 5.980 1.00 0.00 C ATOM 1724 CG2 VAL C 10 3.501 17.994 7.078 1.00 0.00 C ATOM 0 H VAL C 10 3.319 14.724 4.457 1.00 0.00 H new ATOM 0 HA VAL C 10 1.496 16.387 6.084 1.00 0.00 H new ATOM 0 HB VAL C 10 3.434 15.898 7.443 1.00 0.00 H new ATOM 0 HG11 VAL C 10 5.719 16.496 6.712 1.00 0.00 H new ATOM 0 HG12 VAL C 10 5.005 15.220 5.697 1.00 0.00 H new ATOM 0 HG13 VAL C 10 5.086 16.893 5.097 1.00 0.00 H new ATOM 0 HG21 VAL C 10 4.307 18.178 7.788 1.00 0.00 H new ATOM 0 HG22 VAL C 10 3.601 18.674 6.232 1.00 0.00 H new ATOM 0 HG23 VAL C 10 2.541 18.162 7.567 1.00 0.00 H new ATOM 1734 N ALA C 11 1.871 18.315 4.451 1.00 0.00 N ATOM 1735 CA ALA C 11 1.860 19.252 3.347 1.00 0.00 C ATOM 1736 C ALA C 11 3.268 19.782 3.076 1.00 0.00 C ATOM 1737 O ALA C 11 3.978 20.201 3.993 1.00 0.00 O ATOM 1738 CB ALA C 11 0.889 20.378 3.671 1.00 0.00 C ATOM 0 H ALA C 11 1.333 18.612 5.266 1.00 0.00 H new ATOM 0 HA ALA C 11 1.529 18.751 2.437 1.00 0.00 H new ATOM 0 HB1 ALA C 11 0.871 21.091 2.847 1.00 0.00 H new ATOM 0 HB2 ALA C 11 -0.110 19.967 3.817 1.00 0.00 H new ATOM 0 HB3 ALA C 11 1.209 20.884 4.582 1.00 0.00 H new ATOM 1744 N CYS C 12 3.661 19.742 1.800 1.00 0.00 N ATOM 1745 CA CYS C 12 5.029 19.992 1.359 1.00 0.00 C ATOM 1746 C CYS C 12 5.471 21.441 1.638 1.00 0.00 C ATOM 1747 O CYS C 12 4.622 22.295 1.865 1.00 0.00 O ATOM 1748 CB CYS C 12 5.064 19.699 -0.149 1.00 0.00 C ATOM 1749 SG CYS C 12 6.702 19.642 -0.910 1.00 0.00 S ATOM 0 H CYS C 12 3.023 19.531 1.033 1.00 0.00 H new ATOM 0 HA CYS C 12 5.721 19.354 1.908 1.00 0.00 H new ATOM 0 HB2 CYS C 12 4.571 18.743 -0.324 1.00 0.00 H new ATOM 0 HB3 CYS C 12 4.475 20.460 -0.660 1.00 0.00 H new ATOM 0 HG CYS C 12 6.698 18.780 -1.883 1.00 0.00 H new ATOM 1754 N PRO C 13 6.797 21.729 1.652 1.00 0.00 N ATOM 1755 CA PRO C 13 7.340 23.086 1.795 1.00 0.00 C ATOM 1756 C PRO C 13 6.477 24.202 1.187 1.00 0.00 C ATOM 1757 O PRO C 13 6.261 25.238 1.818 1.00 0.00 O ATOM 1758 CB PRO C 13 8.656 22.967 1.030 1.00 0.00 C ATOM 1759 CG PRO C 13 9.139 21.587 1.331 1.00 0.00 C ATOM 1760 CD PRO C 13 7.899 20.746 1.590 1.00 0.00 C ATOM 0 HA PRO C 13 7.413 23.376 2.843 1.00 0.00 H new ATOM 0 HB2 PRO C 13 8.508 23.111 -0.040 1.00 0.00 H new ATOM 0 HB3 PRO C 13 9.374 23.719 1.356 1.00 0.00 H new ATOM 0 HG2 PRO C 13 9.713 21.186 0.496 1.00 0.00 H new ATOM 0 HG3 PRO C 13 9.797 21.587 2.200 1.00 0.00 H new ATOM 0 HD2 PRO C 13 7.739 20.018 0.794 1.00 0.00 H new ATOM 0 HD3 PRO C 13 7.985 20.186 2.521 1.00 0.00 H new ATOM 1768 N LYS C 14 5.954 23.981 -0.021 1.00 0.00 N ATOM 1769 CA LYS C 14 5.257 25.063 -0.719 1.00 0.00 C ATOM 1770 C LYS C 14 4.329 24.612 -1.848 1.00 0.00 C ATOM 1771 O LYS C 14 3.664 25.456 -2.446 1.00 0.00 O ATOM 1772 CB LYS C 14 6.257 26.082 -1.276 1.00 0.00 C ATOM 1773 CG LYS C 14 7.223 25.501 -2.300 1.00 0.00 C ATOM 1774 CD LYS C 14 8.039 26.582 -3.014 1.00 0.00 C ATOM 1775 CE LYS C 14 7.272 27.217 -4.178 1.00 0.00 C ATOM 1776 NZ LYS C 14 6.200 28.136 -3.711 1.00 0.00 N ATOM 0 H LYS C 14 5.996 23.094 -0.523 1.00 0.00 H new ATOM 0 HA LYS C 14 4.621 25.513 0.043 1.00 0.00 H new ATOM 0 HB2 LYS C 14 5.707 26.903 -1.735 1.00 0.00 H new ATOM 0 HB3 LYS C 14 6.829 26.504 -0.450 1.00 0.00 H new ATOM 0 HG2 LYS C 14 7.901 24.807 -1.803 1.00 0.00 H new ATOM 0 HG3 LYS C 14 6.663 24.926 -3.038 1.00 0.00 H new ATOM 0 HD2 LYS C 14 8.316 27.357 -2.299 1.00 0.00 H new ATOM 0 HD3 LYS C 14 8.966 26.147 -3.387 1.00 0.00 H new ATOM 0 HE2 LYS C 14 7.968 27.766 -4.812 1.00 0.00 H new ATOM 0 HE3 LYS C 14 6.832 26.431 -4.792 1.00 0.00 H new ATOM 0 HZ1 LYS C 14 6.082 28.908 -4.397 1.00 0.00 H new ATOM 0 HZ2 LYS C 14 5.307 27.611 -3.623 1.00 0.00 H new ATOM 0 HZ3 LYS C 14 6.461 28.532 -2.786 1.00 0.00 H new ATOM 1790 N CYS C 15 4.264 23.327 -2.194 1.00 0.00 N ATOM 1791 CA CYS C 15 3.384 22.967 -3.305 1.00 0.00 C ATOM 1792 C CYS C 15 2.227 22.058 -2.881 1.00 0.00 C ATOM 1793 O CYS C 15 1.784 21.196 -3.642 1.00 0.00 O ATOM 1794 CB CYS C 15 4.225 22.272 -4.387 1.00 0.00 C ATOM 1795 SG CYS C 15 4.992 20.726 -3.839 1.00 0.00 S ATOM 0 H CYS C 15 4.774 22.561 -1.754 1.00 0.00 H new ATOM 0 HA CYS C 15 2.933 23.883 -3.686 1.00 0.00 H new ATOM 0 HB2 CYS C 15 3.591 22.066 -5.250 1.00 0.00 H new ATOM 0 HB3 CYS C 15 5.006 22.955 -4.721 1.00 0.00 H new ATOM 0 HG CYS C 15 6.117 20.554 -4.467 1.00 0.00 H new ATOM 1800 N GLU C 16 1.663 22.340 -1.714 1.00 0.00 N ATOM 1801 CA GLU C 16 0.559 21.560 -1.158 1.00 0.00 C ATOM 1802 C GLU C 16 -0.748 22.136 -1.645 1.00 0.00 C ATOM 1803 O GLU C 16 -1.794 21.972 -1.019 1.00 0.00 O ATOM 1804 CB GLU C 16 0.582 21.651 0.376 1.00 0.00 C ATOM 1805 CG GLU C 16 1.841 22.278 0.944 1.00 0.00 C ATOM 1806 CD GLU C 16 1.782 23.796 0.943 1.00 0.00 C ATOM 1807 OE1 GLU C 16 1.926 24.395 -0.138 1.00 0.00 O ATOM 1808 OE2 GLU C 16 1.576 24.394 2.018 1.00 0.00 O ATOM 0 H GLU C 16 1.957 23.117 -1.123 1.00 0.00 H new ATOM 0 HA GLU C 16 0.661 20.521 -1.472 1.00 0.00 H new ATOM 0 HB2 GLU C 16 -0.280 22.230 0.707 1.00 0.00 H new ATOM 0 HB3 GLU C 16 0.470 20.649 0.790 1.00 0.00 H new ATOM 0 HG2 GLU C 16 1.992 21.923 1.964 1.00 0.00 H new ATOM 0 HG3 GLU C 16 2.702 21.950 0.361 1.00 0.00 H new ATOM 1815 N ARG C 17 -0.686 22.810 -2.776 1.00 0.00 N ATOM 1816 CA ARG C 17 -1.764 23.648 -3.217 1.00 0.00 C ATOM 1817 C ARG C 17 -1.779 23.630 -4.746 1.00 0.00 C ATOM 1818 O ARG C 17 -2.788 23.924 -5.380 1.00 0.00 O ATOM 1819 CB ARG C 17 -1.572 25.072 -2.688 1.00 0.00 C ATOM 1820 CG ARG C 17 -0.293 25.737 -3.180 1.00 0.00 C ATOM 1821 CD ARG C 17 0.063 26.964 -2.357 1.00 0.00 C ATOM 1822 NE ARG C 17 0.601 26.606 -1.042 1.00 0.00 N ATOM 1823 CZ ARG C 17 0.784 27.469 -0.044 1.00 0.00 C ATOM 1824 NH1 ARG C 17 0.455 28.749 -0.196 1.00 0.00 N ATOM 1825 NH2 ARG C 17 1.291 27.046 1.109 1.00 0.00 N ATOM 0 H ARG C 17 0.114 22.787 -3.408 1.00 0.00 H new ATOM 0 HA ARG C 17 -2.717 23.281 -2.836 1.00 0.00 H new ATOM 0 HB2 ARG C 17 -2.426 25.680 -2.987 1.00 0.00 H new ATOM 0 HB3 ARG C 17 -1.563 25.048 -1.598 1.00 0.00 H new ATOM 0 HG2 ARG C 17 0.528 25.021 -3.137 1.00 0.00 H new ATOM 0 HG3 ARG C 17 -0.412 26.023 -4.225 1.00 0.00 H new ATOM 0 HD2 ARG C 17 0.796 27.563 -2.898 1.00 0.00 H new ATOM 0 HD3 ARG C 17 -0.824 27.585 -2.229 1.00 0.00 H new ATOM 0 HE ARG C 17 0.852 25.631 -0.880 1.00 0.00 H new ATOM 0 HH11 ARG C 17 0.061 29.073 -1.079 1.00 0.00 H new ATOM 0 HH12 ARG C 17 0.597 29.407 0.571 1.00 0.00 H new ATOM 0 HH21 ARG C 17 1.539 26.064 1.227 1.00 0.00 H new ATOM 0 HH22 ARG C 17 1.433 27.704 1.876 1.00 0.00 H new ATOM 1839 N ALA C 18 -0.621 23.271 -5.322 1.00 0.00 N ATOM 1840 CA ALA C 18 -0.403 23.448 -6.757 1.00 0.00 C ATOM 1841 C ALA C 18 0.075 22.183 -7.472 1.00 0.00 C ATOM 1842 O ALA C 18 -0.400 21.871 -8.558 1.00 0.00 O ATOM 1843 CB ALA C 18 0.586 24.576 -6.996 1.00 0.00 C ATOM 0 H ALA C 18 0.167 22.862 -4.819 1.00 0.00 H new ATOM 0 HA ALA C 18 -1.376 23.693 -7.183 1.00 0.00 H new ATOM 0 HB1 ALA C 18 0.743 24.701 -8.067 1.00 0.00 H new ATOM 0 HB2 ALA C 18 0.191 25.501 -6.576 1.00 0.00 H new ATOM 0 HB3 ALA C 18 1.535 24.336 -6.516 1.00 0.00 H new ATOM 1849 N GLY C 19 1.018 21.462 -6.868 1.00 0.00 N ATOM 1850 CA GLY C 19 1.564 20.273 -7.511 1.00 0.00 C ATOM 1851 C GLY C 19 2.848 20.537 -8.278 1.00 0.00 C ATOM 1852 O GLY C 19 3.290 19.704 -9.063 1.00 0.00 O ATOM 0 H GLY C 19 1.412 21.676 -5.952 1.00 0.00 H new ATOM 0 HA2 GLY C 19 1.752 19.513 -6.753 1.00 0.00 H new ATOM 0 HA3 GLY C 19 0.819 19.864 -8.194 1.00 0.00 H new ATOM 1856 N GLU C 20 3.479 21.671 -8.019 1.00 0.00 N ATOM 1857 CA GLU C 20 4.696 22.045 -8.725 1.00 0.00 C ATOM 1858 C GLU C 20 5.473 23.066 -7.912 1.00 0.00 C ATOM 1859 O GLU C 20 4.927 23.682 -7.002 1.00 0.00 O ATOM 1860 CB GLU C 20 4.374 22.612 -10.117 1.00 0.00 C ATOM 1861 CG GLU C 20 3.171 23.547 -10.133 1.00 0.00 C ATOM 1862 CD GLU C 20 3.175 24.500 -11.312 1.00 0.00 C ATOM 1863 OE1 GLU C 20 3.748 25.603 -11.184 1.00 0.00 O ATOM 1864 OE2 GLU C 20 2.596 24.164 -12.364 1.00 0.00 O ATOM 0 H GLU C 20 3.169 22.350 -7.324 1.00 0.00 H new ATOM 0 HA GLU C 20 5.305 21.151 -8.856 1.00 0.00 H new ATOM 0 HB2 GLU C 20 5.246 23.149 -10.492 1.00 0.00 H new ATOM 0 HB3 GLU C 20 4.190 21.785 -10.803 1.00 0.00 H new ATOM 0 HG2 GLU C 20 2.257 22.953 -10.156 1.00 0.00 H new ATOM 0 HG3 GLU C 20 3.154 24.123 -9.208 1.00 0.00 H new ATOM 1871 N ILE C 21 6.736 23.241 -8.250 1.00 0.00 N ATOM 1872 CA ILE C 21 7.589 24.235 -7.612 1.00 0.00 C ATOM 1873 C ILE C 21 8.478 24.812 -8.673 1.00 0.00 C ATOM 1874 O ILE C 21 9.262 24.097 -9.295 1.00 0.00 O ATOM 1875 CB ILE C 21 8.434 23.670 -6.439 1.00 0.00 C ATOM 1876 CG1 ILE C 21 7.492 23.260 -5.291 1.00 0.00 C ATOM 1877 CG2 ILE C 21 9.469 24.685 -5.943 1.00 0.00 C ATOM 1878 CD1 ILE C 21 8.155 22.732 -4.031 1.00 0.00 C ATOM 0 H ILE C 21 7.204 22.699 -8.976 1.00 0.00 H new ATOM 0 HA ILE C 21 6.953 24.998 -7.163 1.00 0.00 H new ATOM 0 HB ILE C 21 8.984 22.800 -6.797 1.00 0.00 H new ATOM 0 HG12 ILE C 21 6.885 24.124 -5.021 1.00 0.00 H new ATOM 0 HG13 ILE C 21 6.810 22.496 -5.664 1.00 0.00 H new ATOM 0 HG21 ILE C 21 10.040 24.251 -5.122 1.00 0.00 H new ATOM 0 HG22 ILE C 21 10.145 24.943 -6.758 1.00 0.00 H new ATOM 0 HG23 ILE C 21 8.960 25.584 -5.596 1.00 0.00 H new ATOM 0 HD11 ILE C 21 7.391 22.477 -3.297 1.00 0.00 H new ATOM 0 HD12 ILE C 21 8.738 21.843 -4.272 1.00 0.00 H new ATOM 0 HD13 ILE C 21 8.814 23.496 -3.619 1.00 0.00 H new ATOM 1890 N GLU C 22 8.334 26.104 -8.858 1.00 0.00 N ATOM 1891 CA GLU C 22 8.959 26.794 -9.966 1.00 0.00 C ATOM 1892 C GLU C 22 8.492 26.211 -11.303 1.00 0.00 C ATOM 1893 O GLU C 22 9.306 25.955 -12.192 1.00 0.00 O ATOM 1894 CB GLU C 22 10.475 26.660 -9.823 1.00 0.00 C ATOM 1895 CG GLU C 22 11.217 27.961 -10.046 1.00 0.00 C ATOM 1896 CD GLU C 22 10.686 29.022 -9.110 1.00 0.00 C ATOM 1897 OE1 GLU C 22 10.703 28.790 -7.882 1.00 0.00 O ATOM 1898 OE2 GLU C 22 10.210 30.068 -9.592 1.00 0.00 O ATOM 0 H GLU C 22 7.782 26.706 -8.247 1.00 0.00 H new ATOM 0 HA GLU C 22 8.675 27.846 -9.951 1.00 0.00 H new ATOM 0 HB2 GLU C 22 10.707 26.284 -8.826 1.00 0.00 H new ATOM 0 HB3 GLU C 22 10.836 25.918 -10.535 1.00 0.00 H new ATOM 0 HG2 GLU C 22 12.284 27.815 -9.877 1.00 0.00 H new ATOM 0 HG3 GLU C 22 11.100 28.284 -11.080 1.00 0.00 H new ATOM 1905 N GLY C 23 7.181 25.974 -11.436 1.00 0.00 N ATOM 1906 CA GLY C 23 6.641 25.349 -12.645 1.00 0.00 C ATOM 1907 C GLY C 23 7.304 24.027 -12.965 1.00 0.00 C ATOM 1908 O GLY C 23 7.222 23.514 -14.077 1.00 0.00 O ATOM 0 H GLY C 23 6.483 26.203 -10.729 1.00 0.00 H new ATOM 0 HA2 GLY C 23 5.569 25.193 -12.521 1.00 0.00 H new ATOM 0 HA3 GLY C 23 6.768 26.028 -13.488 1.00 0.00 H new ATOM 1912 N THR C 24 7.965 23.506 -11.975 1.00 0.00 N ATOM 1913 CA THR C 24 8.824 22.370 -12.122 1.00 0.00 C ATOM 1914 C THR C 24 8.371 21.233 -11.205 1.00 0.00 C ATOM 1915 O THR C 24 7.839 21.482 -10.117 1.00 0.00 O ATOM 1916 CB THR C 24 10.236 22.868 -11.779 1.00 0.00 C ATOM 1917 OG1 THR C 24 10.917 23.317 -12.962 1.00 0.00 O ATOM 1918 CG2 THR C 24 11.072 21.835 -11.047 1.00 0.00 C ATOM 0 H THR C 24 7.921 23.867 -11.022 1.00 0.00 H new ATOM 0 HA THR C 24 8.799 21.962 -13.132 1.00 0.00 H new ATOM 0 HB THR C 24 10.108 23.707 -11.095 1.00 0.00 H new ATOM 0 HG1 THR C 24 11.814 23.632 -12.724 1.00 0.00 H new ATOM 0 HG21 THR C 24 12.058 22.249 -10.834 1.00 0.00 H new ATOM 0 HG22 THR C 24 10.581 21.567 -10.111 1.00 0.00 H new ATOM 0 HG23 THR C 24 11.179 20.946 -11.669 1.00 0.00 H new ATOM 1926 N PRO C 25 8.541 19.974 -11.649 1.00 0.00 N ATOM 1927 CA PRO C 25 8.164 18.794 -10.865 1.00 0.00 C ATOM 1928 C PRO C 25 8.874 18.754 -9.514 1.00 0.00 C ATOM 1929 O PRO C 25 10.101 18.820 -9.432 1.00 0.00 O ATOM 1930 CB PRO C 25 8.591 17.612 -11.743 1.00 0.00 C ATOM 1931 CG PRO C 25 9.562 18.186 -12.719 1.00 0.00 C ATOM 1932 CD PRO C 25 9.118 19.603 -12.947 1.00 0.00 C ATOM 0 HA PRO C 25 7.100 18.786 -10.628 1.00 0.00 H new ATOM 0 HB2 PRO C 25 9.050 16.823 -11.147 1.00 0.00 H new ATOM 0 HB3 PRO C 25 7.735 17.169 -12.252 1.00 0.00 H new ATOM 0 HG2 PRO C 25 10.578 18.152 -12.326 1.00 0.00 H new ATOM 0 HG3 PRO C 25 9.561 17.621 -13.651 1.00 0.00 H new ATOM 0 HD2 PRO C 25 9.952 20.250 -13.219 1.00 0.00 H new ATOM 0 HD3 PRO C 25 8.385 19.673 -13.751 1.00 0.00 H new ATOM 1940 N CYS C 26 8.085 18.635 -8.458 1.00 0.00 N ATOM 1941 CA CYS C 26 8.584 18.816 -7.101 1.00 0.00 C ATOM 1942 C CYS C 26 9.318 17.574 -6.563 1.00 0.00 C ATOM 1943 O CYS C 26 8.827 16.456 -6.693 1.00 0.00 O ATOM 1944 CB CYS C 26 7.424 19.188 -6.183 1.00 0.00 C ATOM 1945 SG CYS C 26 7.893 19.374 -4.431 1.00 0.00 S ATOM 0 H CYS C 26 7.091 18.413 -8.514 1.00 0.00 H new ATOM 0 HA CYS C 26 9.318 19.621 -7.124 1.00 0.00 H new ATOM 0 HB2 CYS C 26 6.984 20.122 -6.532 1.00 0.00 H new ATOM 0 HB3 CYS C 26 6.652 18.423 -6.262 1.00 0.00 H new ATOM 0 HG CYS C 26 6.824 19.354 -3.691 1.00 0.00 H new ATOM 1950 N PRO C 27 10.483 17.800 -5.902 1.00 0.00 N ATOM 1951 CA PRO C 27 11.394 16.763 -5.371 1.00 0.00 C ATOM 1952 C PRO C 27 10.741 15.455 -4.898 1.00 0.00 C ATOM 1953 O PRO C 27 11.058 14.375 -5.394 1.00 0.00 O ATOM 1954 CB PRO C 27 12.011 17.482 -4.170 1.00 0.00 C ATOM 1955 CG PRO C 27 12.079 18.923 -4.555 1.00 0.00 C ATOM 1956 CD PRO C 27 11.036 19.145 -5.639 1.00 0.00 C ATOM 0 HA PRO C 27 12.073 16.422 -6.153 1.00 0.00 H new ATOM 0 HB2 PRO C 27 11.403 17.344 -3.276 1.00 0.00 H new ATOM 0 HB3 PRO C 27 13.003 17.089 -3.945 1.00 0.00 H new ATOM 0 HG2 PRO C 27 11.882 19.562 -3.694 1.00 0.00 H new ATOM 0 HG3 PRO C 27 13.074 19.178 -4.920 1.00 0.00 H new ATOM 0 HD2 PRO C 27 10.260 19.835 -5.308 1.00 0.00 H new ATOM 0 HD3 PRO C 27 11.482 19.573 -6.537 1.00 0.00 H new ATOM 1964 N ALA C 28 9.812 15.559 -3.958 1.00 0.00 N ATOM 1965 CA ALA C 28 9.347 14.387 -3.214 1.00 0.00 C ATOM 1966 C ALA C 28 7.846 14.164 -3.364 1.00 0.00 C ATOM 1967 O ALA C 28 7.308 13.141 -2.945 1.00 0.00 O ATOM 1968 CB ALA C 28 9.717 14.534 -1.747 1.00 0.00 C ATOM 0 H ALA C 28 9.365 16.436 -3.690 1.00 0.00 H new ATOM 0 HA ALA C 28 9.841 13.510 -3.633 1.00 0.00 H new ATOM 0 HB1 ALA C 28 9.370 13.661 -1.195 1.00 0.00 H new ATOM 0 HB2 ALA C 28 10.800 14.617 -1.651 1.00 0.00 H new ATOM 0 HB3 ALA C 28 9.247 15.430 -1.341 1.00 0.00 H new ATOM 1974 N CYS C 29 7.166 15.133 -3.943 1.00 0.00 N ATOM 1975 CA CYS C 29 5.736 15.022 -4.158 1.00 0.00 C ATOM 1976 C CYS C 29 5.402 15.376 -5.602 1.00 0.00 C ATOM 1977 O CYS C 29 5.260 16.559 -5.934 1.00 0.00 O ATOM 1978 CB CYS C 29 5.000 15.946 -3.176 1.00 0.00 C ATOM 1979 SG CYS C 29 5.451 17.687 -3.331 1.00 0.00 S ATOM 0 H CYS C 29 7.579 16.005 -4.273 1.00 0.00 H new ATOM 0 HA CYS C 29 5.412 13.997 -3.978 1.00 0.00 H new ATOM 0 HB2 CYS C 29 3.926 15.844 -3.332 1.00 0.00 H new ATOM 0 HB3 CYS C 29 5.207 15.617 -2.158 1.00 0.00 H new ATOM 0 HG CYS C 29 6.624 17.784 -3.883 1.00 0.00 H new ATOM 1984 N SER C 30 5.309 14.364 -6.463 1.00 0.00 N ATOM 1985 CA SER C 30 5.093 14.565 -7.894 1.00 0.00 C ATOM 1986 C SER C 30 3.676 15.053 -8.224 1.00 0.00 C ATOM 1987 O SER C 30 2.976 14.447 -9.034 1.00 0.00 O ATOM 1988 CB SER C 30 5.361 13.248 -8.625 1.00 0.00 C ATOM 1989 OG SER C 30 6.572 12.660 -8.179 1.00 0.00 O ATOM 0 H SER C 30 5.381 13.384 -6.189 1.00 0.00 H new ATOM 0 HA SER C 30 5.781 15.344 -8.222 1.00 0.00 H new ATOM 0 HB2 SER C 30 4.534 12.559 -8.456 1.00 0.00 H new ATOM 0 HB3 SER C 30 5.413 13.427 -9.699 1.00 0.00 H new ATOM 0 HG SER C 30 6.723 11.818 -8.658 1.00 0.00 H new ATOM 1995 N GLY C 31 3.255 16.130 -7.585 1.00 0.00 N ATOM 1996 CA GLY C 31 1.981 16.730 -7.916 1.00 0.00 C ATOM 1997 C GLY C 31 0.846 16.160 -7.097 1.00 0.00 C ATOM 1998 O GLY C 31 -0.233 15.898 -7.620 1.00 0.00 O ATOM 0 H GLY C 31 3.772 16.601 -6.842 1.00 0.00 H new ATOM 0 HA2 GLY C 31 2.037 17.807 -7.755 1.00 0.00 H new ATOM 0 HA3 GLY C 31 1.774 16.576 -8.975 1.00 0.00 H new ATOM 2002 N LYS C 32 1.083 15.973 -5.805 1.00 0.00 N ATOM 2003 CA LYS C 32 0.076 15.415 -4.914 1.00 0.00 C ATOM 2004 C LYS C 32 -0.359 16.479 -3.912 1.00 0.00 C ATOM 2005 O LYS C 32 -1.534 16.603 -3.577 1.00 0.00 O ATOM 2006 CB LYS C 32 0.651 14.229 -4.147 1.00 0.00 C ATOM 2007 CG LYS C 32 1.613 13.374 -4.954 1.00 0.00 C ATOM 2008 CD LYS C 32 2.055 12.151 -4.170 1.00 0.00 C ATOM 2009 CE LYS C 32 2.450 12.511 -2.747 1.00 0.00 C ATOM 2010 NZ LYS C 32 2.823 11.317 -1.959 1.00 0.00 N ATOM 0 H LYS C 32 1.967 16.201 -5.350 1.00 0.00 H new ATOM 0 HA LYS C 32 -0.775 15.085 -5.509 1.00 0.00 H new ATOM 0 HB2 LYS C 32 1.167 14.599 -3.261 1.00 0.00 H new ATOM 0 HB3 LYS C 32 -0.170 13.603 -3.799 1.00 0.00 H new ATOM 0 HG2 LYS C 32 1.134 13.060 -5.881 1.00 0.00 H new ATOM 0 HG3 LYS C 32 2.485 13.966 -5.230 1.00 0.00 H new ATOM 0 HD2 LYS C 32 1.247 11.420 -4.150 1.00 0.00 H new ATOM 0 HD3 LYS C 32 2.899 11.680 -4.674 1.00 0.00 H new ATOM 0 HE2 LYS C 32 3.288 13.208 -2.768 1.00 0.00 H new ATOM 0 HE3 LYS C 32 1.621 13.024 -2.259 1.00 0.00 H new ATOM 0 HZ1 LYS C 32 2.627 11.490 -0.952 1.00 0.00 H new ATOM 0 HZ2 LYS C 32 2.268 10.500 -2.284 1.00 0.00 H new ATOM 0 HZ3 LYS C 32 3.836 11.120 -2.086 1.00 0.00 H new ATOM 2024 N GLY C 33 0.626 17.237 -3.422 1.00 0.00 N ATOM 2025 CA GLY C 33 0.381 18.260 -2.434 1.00 0.00 C ATOM 2026 C GLY C 33 1.165 17.997 -1.160 1.00 0.00 C ATOM 2027 O GLY C 33 1.748 18.911 -0.576 1.00 0.00 O ATOM 0 H GLY C 33 1.603 17.151 -3.704 1.00 0.00 H new ATOM 0 HA2 GLY C 33 0.658 19.233 -2.839 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -0.684 18.301 -2.206 1.00 0.00 H new ATOM 2031 N VAL C 34 1.253 16.729 -0.772 1.00 0.00 N ATOM 2032 CA VAL C 34 1.892 16.354 0.483 1.00 0.00 C ATOM 2033 C VAL C 34 3.136 15.489 0.268 1.00 0.00 C ATOM 2034 O VAL C 34 3.359 14.952 -0.822 1.00 0.00 O ATOM 2035 CB VAL C 34 0.907 15.591 1.396 1.00 0.00 C ATOM 2036 CG1 VAL C 34 -0.264 16.480 1.789 1.00 0.00 C ATOM 2037 CG2 VAL C 34 0.413 14.326 0.709 1.00 0.00 C ATOM 0 H VAL C 34 0.889 15.943 -1.310 1.00 0.00 H new ATOM 0 HA VAL C 34 2.198 17.285 0.960 1.00 0.00 H new ATOM 0 HB VAL C 34 1.436 15.305 2.305 1.00 0.00 H new ATOM 0 HG11 VAL C 34 -0.945 15.922 2.432 1.00 0.00 H new ATOM 0 HG12 VAL C 34 0.106 17.354 2.325 1.00 0.00 H new ATOM 0 HG13 VAL C 34 -0.794 16.802 0.892 1.00 0.00 H new ATOM 0 HG21 VAL C 34 -0.280 13.801 1.367 1.00 0.00 H new ATOM 0 HG22 VAL C 34 -0.096 14.590 -0.218 1.00 0.00 H new ATOM 0 HG23 VAL C 34 1.261 13.679 0.485 1.00 0.00 H new ATOM 2047 N ILE C 35 3.941 15.389 1.319 1.00 0.00 N ATOM 2048 CA ILE C 35 5.127 14.541 1.349 1.00 0.00 C ATOM 2049 C ILE C 35 5.083 13.636 2.579 1.00 0.00 C ATOM 2050 O ILE C 35 4.366 13.917 3.529 1.00 0.00 O ATOM 2051 CB ILE C 35 6.426 15.373 1.376 1.00 0.00 C ATOM 2052 CG1 ILE C 35 6.334 16.454 2.451 1.00 0.00 C ATOM 2053 CG2 ILE C 35 6.696 15.988 0.011 1.00 0.00 C ATOM 2054 CD1 ILE C 35 7.620 17.217 2.671 1.00 0.00 C ATOM 0 H ILE C 35 3.786 15.902 2.187 1.00 0.00 H new ATOM 0 HA ILE C 35 5.127 13.941 0.439 1.00 0.00 H new ATOM 0 HB ILE C 35 7.260 14.714 1.619 1.00 0.00 H new ATOM 0 HG12 ILE C 35 5.549 17.158 2.176 1.00 0.00 H new ATOM 0 HG13 ILE C 35 6.033 15.992 3.391 1.00 0.00 H new ATOM 0 HG21 ILE C 35 7.616 16.571 0.050 1.00 0.00 H new ATOM 0 HG22 ILE C 35 6.799 15.196 -0.731 1.00 0.00 H new ATOM 0 HG23 ILE C 35 5.866 16.638 -0.266 1.00 0.00 H new ATOM 0 HD11 ILE C 35 7.470 17.965 3.449 1.00 0.00 H new ATOM 0 HD12 ILE C 35 8.405 16.526 2.978 1.00 0.00 H new ATOM 0 HD13 ILE C 35 7.913 17.711 1.745 1.00 0.00 H new ATOM 2066 N LEU C 36 5.857 12.560 2.562 1.00 0.00 N ATOM 2067 CA LEU C 36 5.744 11.522 3.586 1.00 0.00 C ATOM 2068 C LEU C 36 6.608 11.771 4.818 1.00 0.00 C ATOM 2069 O LEU C 36 7.528 12.591 4.814 1.00 0.00 O ATOM 2070 CB LEU C 36 6.122 10.159 3.005 1.00 0.00 C ATOM 2071 CG LEU C 36 5.307 9.726 1.794 1.00 0.00 C ATOM 2072 CD1 LEU C 36 6.008 10.107 0.498 1.00 0.00 C ATOM 2073 CD2 LEU C 36 5.041 8.237 1.860 1.00 0.00 C ATOM 0 H LEU C 36 6.569 12.380 1.854 1.00 0.00 H new ATOM 0 HA LEU C 36 4.702 11.543 3.905 1.00 0.00 H new ATOM 0 HB2 LEU C 36 7.176 10.179 2.726 1.00 0.00 H new ATOM 0 HB3 LEU C 36 6.013 9.406 3.785 1.00 0.00 H new ATOM 0 HG LEU C 36 4.351 10.249 1.809 1.00 0.00 H new ATOM 0 HD11 LEU C 36 5.404 9.786 -0.350 1.00 0.00 H new ATOM 0 HD12 LEU C 36 6.141 11.188 0.460 1.00 0.00 H new ATOM 0 HD13 LEU C 36 6.982 9.620 0.455 1.00 0.00 H new ATOM 0 HD21 LEU C 36 4.457 7.933 0.991 1.00 0.00 H new ATOM 0 HD22 LEU C 36 5.988 7.698 1.868 1.00 0.00 H new ATOM 0 HD23 LEU C 36 4.485 8.007 2.769 1.00 0.00 H new ATOM 2085 N THR C 37 6.286 11.018 5.869 1.00 0.00 N ATOM 2086 CA THR C 37 7.066 10.986 7.096 1.00 0.00 C ATOM 2087 C THR C 37 7.832 9.667 7.150 1.00 0.00 C ATOM 2088 O THR C 37 7.685 8.857 6.246 1.00 0.00 O ATOM 2089 CB THR C 37 6.152 11.082 8.334 1.00 0.00 C ATOM 2090 OG1 THR C 37 5.297 9.931 8.398 1.00 0.00 O ATOM 2091 CG2 THR C 37 5.291 12.335 8.287 1.00 0.00 C ATOM 0 H THR C 37 5.468 10.409 5.888 1.00 0.00 H new ATOM 0 HA THR C 37 7.749 11.835 7.102 1.00 0.00 H new ATOM 0 HB THR C 37 6.789 11.127 9.217 1.00 0.00 H new ATOM 0 HG1 THR C 37 4.593 10.083 9.063 1.00 0.00 H new ATOM 0 HG21 THR C 37 4.657 12.375 9.173 1.00 0.00 H new ATOM 0 HG22 THR C 37 5.932 13.216 8.260 1.00 0.00 H new ATOM 0 HG23 THR C 37 4.666 12.313 7.395 1.00 0.00 H new ATOM 2099 N ALA C 38 8.623 9.427 8.191 1.00 0.00 N ATOM 2100 CA ALA C 38 9.404 8.191 8.270 1.00 0.00 C ATOM 2101 C ALA C 38 8.499 6.960 8.266 1.00 0.00 C ATOM 2102 O ALA C 38 8.769 5.983 7.558 1.00 0.00 O ATOM 2103 CB ALA C 38 10.295 8.194 9.494 1.00 0.00 C ATOM 0 H ALA C 38 8.742 10.060 8.982 1.00 0.00 H new ATOM 0 HA ALA C 38 10.037 8.143 7.384 1.00 0.00 H new ATOM 0 HB1 ALA C 38 10.865 7.266 9.531 1.00 0.00 H new ATOM 0 HB2 ALA C 38 10.981 9.040 9.443 1.00 0.00 H new ATOM 0 HB3 ALA C 38 9.681 8.279 10.391 1.00 0.00 H new ATOM 2109 N GLN C 39 7.426 7.003 9.051 1.00 0.00 N ATOM 2110 CA GLN C 39 6.436 5.927 9.044 1.00 0.00 C ATOM 2111 C GLN C 39 5.810 5.773 7.654 1.00 0.00 C ATOM 2112 O GLN C 39 5.620 4.659 7.167 1.00 0.00 O ATOM 2113 CB GLN C 39 5.345 6.185 10.082 1.00 0.00 C ATOM 2114 CG GLN C 39 4.299 5.085 10.138 1.00 0.00 C ATOM 2115 CD GLN C 39 3.234 5.338 11.182 1.00 0.00 C ATOM 2116 OE1 GLN C 39 3.487 5.964 12.208 1.00 0.00 O ATOM 2117 NE2 GLN C 39 2.033 4.849 10.924 1.00 0.00 N ATOM 0 H GLN C 39 7.219 7.765 9.696 1.00 0.00 H new ATOM 0 HA GLN C 39 6.949 5.000 9.301 1.00 0.00 H new ATOM 0 HB2 GLN C 39 5.805 6.290 11.065 1.00 0.00 H new ATOM 0 HB3 GLN C 39 4.855 7.132 9.857 1.00 0.00 H new ATOM 0 HG2 GLN C 39 3.827 4.990 9.160 1.00 0.00 H new ATOM 0 HG3 GLN C 39 4.789 4.135 10.349 1.00 0.00 H new ATOM 0 HE21 GLN C 39 1.867 4.335 10.059 1.00 0.00 H new ATOM 0 HE22 GLN C 39 1.273 4.986 11.590 1.00 0.00 H new ATOM 2126 N GLY C 40 5.519 6.903 7.021 1.00 0.00 N ATOM 2127 CA GLY C 40 4.977 6.898 5.676 1.00 0.00 C ATOM 2128 C GLY C 40 5.984 6.392 4.665 1.00 0.00 C ATOM 2129 O GLY C 40 5.624 5.733 3.695 1.00 0.00 O ATOM 0 H GLY C 40 5.651 7.832 7.421 1.00 0.00 H new ATOM 0 HA2 GLY C 40 4.086 6.271 5.646 1.00 0.00 H new ATOM 0 HA3 GLY C 40 4.666 7.907 5.406 1.00 0.00 H new ATOM 2133 N TYR C 41 7.256 6.684 4.906 1.00 0.00 N ATOM 2134 CA TYR C 41 8.323 6.249 4.023 1.00 0.00 C ATOM 2135 C TYR C 41 8.520 4.746 4.101 1.00 0.00 C ATOM 2136 O TYR C 41 8.826 4.104 3.097 1.00 0.00 O ATOM 2137 CB TYR C 41 9.629 6.962 4.389 1.00 0.00 C ATOM 2138 CG TYR C 41 9.899 8.222 3.593 1.00 0.00 C ATOM 2139 CD1 TYR C 41 10.487 8.166 2.335 1.00 0.00 C ATOM 2140 CD2 TYR C 41 9.561 9.468 4.098 1.00 0.00 C ATOM 2141 CE1 TYR C 41 10.735 9.318 1.611 1.00 0.00 C ATOM 2142 CE2 TYR C 41 9.802 10.623 3.380 1.00 0.00 C ATOM 2143 CZ TYR C 41 10.385 10.543 2.137 1.00 0.00 C ATOM 2144 OH TYR C 41 10.619 11.693 1.417 1.00 0.00 O ATOM 0 H TYR C 41 7.572 7.224 5.712 1.00 0.00 H new ATOM 0 HA TYR C 41 8.042 6.505 3.001 1.00 0.00 H new ATOM 0 HB2 TYR C 41 9.606 7.215 5.449 1.00 0.00 H new ATOM 0 HB3 TYR C 41 10.459 6.271 4.244 1.00 0.00 H new ATOM 0 HD1 TYR C 41 10.755 7.207 1.916 1.00 0.00 H new ATOM 0 HD2 TYR C 41 9.100 9.537 5.072 1.00 0.00 H new ATOM 0 HE1 TYR C 41 11.201 9.258 0.638 1.00 0.00 H new ATOM 0 HE2 TYR C 41 9.534 11.584 3.793 1.00 0.00 H new ATOM 0 HH TYR C 41 10.312 12.469 1.931 1.00 0.00 H new ATOM 2154 N THR C 42 8.305 4.177 5.272 1.00 0.00 N ATOM 2155 CA THR C 42 8.383 2.734 5.427 1.00 0.00 C ATOM 2156 C THR C 42 7.217 2.052 4.708 1.00 0.00 C ATOM 2157 O THR C 42 7.353 0.953 4.163 1.00 0.00 O ATOM 2158 CB THR C 42 8.363 2.353 6.918 1.00 0.00 C ATOM 2159 OG1 THR C 42 9.336 3.132 7.625 1.00 0.00 O ATOM 2160 CG2 THR C 42 8.655 0.873 7.109 1.00 0.00 C ATOM 0 H THR C 42 8.076 4.686 6.126 1.00 0.00 H new ATOM 0 HA THR C 42 9.319 2.395 4.984 1.00 0.00 H new ATOM 0 HB THR C 42 7.368 2.558 7.312 1.00 0.00 H new ATOM 0 HG1 THR C 42 9.033 4.063 7.679 1.00 0.00 H new ATOM 0 HG21 THR C 42 8.634 0.632 8.172 1.00 0.00 H new ATOM 0 HG22 THR C 42 7.900 0.283 6.589 1.00 0.00 H new ATOM 0 HG23 THR C 42 9.640 0.641 6.704 1.00 0.00 H new ATOM 2168 N LEU C 43 6.088 2.745 4.656 1.00 0.00 N ATOM 2169 CA LEU C 43 4.883 2.199 4.055 1.00 0.00 C ATOM 2170 C LEU C 43 4.865 2.478 2.560 1.00 0.00 C ATOM 2171 O LEU C 43 4.144 1.818 1.819 1.00 0.00 O ATOM 2172 CB LEU C 43 3.630 2.794 4.725 1.00 0.00 C ATOM 2173 CG LEU C 43 2.927 1.898 5.767 1.00 0.00 C ATOM 2174 CD1 LEU C 43 3.905 1.481 6.852 1.00 0.00 C ATOM 2175 CD2 LEU C 43 1.750 2.636 6.378 1.00 0.00 C ATOM 0 H LEU C 43 5.983 3.690 5.025 1.00 0.00 H new ATOM 0 HA LEU C 43 4.878 1.120 4.208 1.00 0.00 H new ATOM 0 HB2 LEU C 43 3.911 3.729 5.210 1.00 0.00 H new ATOM 0 HB3 LEU C 43 2.910 3.044 3.946 1.00 0.00 H new ATOM 0 HG LEU C 43 2.561 1.001 5.267 1.00 0.00 H new ATOM 0 HD11 LEU C 43 3.394 0.850 7.579 1.00 0.00 H new ATOM 0 HD12 LEU C 43 4.729 0.926 6.405 1.00 0.00 H new ATOM 0 HD13 LEU C 43 4.294 2.368 7.352 1.00 0.00 H new ATOM 0 HD21 LEU C 43 1.260 1.996 7.112 1.00 0.00 H new ATOM 0 HD22 LEU C 43 2.104 3.544 6.867 1.00 0.00 H new ATOM 0 HD23 LEU C 43 1.039 2.899 5.595 1.00 0.00 H new ATOM 2187 N LEU C 44 5.686 3.418 2.096 1.00 0.00 N ATOM 2188 CA LEU C 44 5.683 3.761 0.683 1.00 0.00 C ATOM 2189 C LEU C 44 6.563 2.786 -0.086 1.00 0.00 C ATOM 2190 O LEU C 44 6.173 2.287 -1.133 1.00 0.00 O ATOM 2191 CB LEU C 44 6.118 5.232 0.456 1.00 0.00 C ATOM 2192 CG LEU C 44 7.610 5.505 0.169 1.00 0.00 C ATOM 2193 CD1 LEU C 44 7.964 5.163 -1.274 1.00 0.00 C ATOM 2194 CD2 LEU C 44 7.957 6.960 0.422 1.00 0.00 C ATOM 0 H LEU C 44 6.348 3.944 2.667 1.00 0.00 H new ATOM 0 HA LEU C 44 4.664 3.676 0.304 1.00 0.00 H new ATOM 0 HB2 LEU C 44 5.539 5.628 -0.378 1.00 0.00 H new ATOM 0 HB3 LEU C 44 5.837 5.805 1.340 1.00 0.00 H new ATOM 0 HG LEU C 44 8.185 4.871 0.844 1.00 0.00 H new ATOM 0 HD11 LEU C 44 9.021 5.365 -1.447 1.00 0.00 H new ATOM 0 HD12 LEU C 44 7.762 4.108 -1.458 1.00 0.00 H new ATOM 0 HD13 LEU C 44 7.363 5.771 -1.950 1.00 0.00 H new ATOM 0 HD21 LEU C 44 9.014 7.124 0.212 1.00 0.00 H new ATOM 0 HD22 LEU C 44 7.355 7.596 -0.227 1.00 0.00 H new ATOM 0 HD23 LEU C 44 7.752 7.207 1.464 1.00 0.00 H new ATOM 2206 N ASP C 45 7.745 2.494 0.447 1.00 0.00 N ATOM 2207 CA ASP C 45 8.687 1.631 -0.247 1.00 0.00 C ATOM 2208 C ASP C 45 8.196 0.196 -0.219 1.00 0.00 C ATOM 2209 O ASP C 45 8.552 -0.619 -1.072 1.00 0.00 O ATOM 2210 CB ASP C 45 10.068 1.732 0.392 1.00 0.00 C ATOM 2211 CG ASP C 45 11.164 1.290 -0.551 1.00 0.00 C ATOM 2212 OD1 ASP C 45 11.494 0.087 -0.586 1.00 0.00 O ATOM 2213 OD2 ASP C 45 11.698 2.151 -1.275 1.00 0.00 O ATOM 0 H ASP C 45 8.069 2.840 1.350 1.00 0.00 H new ATOM 0 HA ASP C 45 8.762 1.956 -1.285 1.00 0.00 H new ATOM 0 HB2 ASP C 45 10.250 2.761 0.701 1.00 0.00 H new ATOM 0 HB3 ASP C 45 10.096 1.119 1.293 1.00 0.00 H new ATOM 2218 N PHE C 46 7.330 -0.092 0.737 1.00 0.00 N ATOM 2219 CA PHE C 46 6.688 -1.387 0.818 1.00 0.00 C ATOM 2220 C PHE C 46 5.626 -1.505 -0.254 1.00 0.00 C ATOM 2221 O PHE C 46 5.527 -2.524 -0.929 1.00 0.00 O ATOM 2222 CB PHE C 46 6.033 -1.520 2.193 1.00 0.00 C ATOM 2223 CG PHE C 46 5.410 -2.858 2.485 1.00 0.00 C ATOM 2224 CD1 PHE C 46 4.083 -3.106 2.158 1.00 0.00 C ATOM 2225 CD2 PHE C 46 6.139 -3.858 3.108 1.00 0.00 C ATOM 2226 CE1 PHE C 46 3.501 -4.325 2.444 1.00 0.00 C ATOM 2227 CE2 PHE C 46 5.559 -5.079 3.398 1.00 0.00 C ATOM 2228 CZ PHE C 46 4.239 -5.312 3.065 1.00 0.00 C ATOM 0 H PHE C 46 7.056 0.560 1.472 1.00 0.00 H new ATOM 0 HA PHE C 46 7.428 -2.174 0.672 1.00 0.00 H new ATOM 0 HB2 PHE C 46 6.784 -1.314 2.956 1.00 0.00 H new ATOM 0 HB3 PHE C 46 5.265 -0.752 2.286 1.00 0.00 H new ATOM 0 HD1 PHE C 46 3.500 -2.336 1.674 1.00 0.00 H new ATOM 0 HD2 PHE C 46 7.172 -3.682 3.370 1.00 0.00 H new ATOM 0 HE1 PHE C 46 2.469 -4.506 2.182 1.00 0.00 H new ATOM 0 HE2 PHE C 46 6.138 -5.850 3.885 1.00 0.00 H new ATOM 0 HZ PHE C 46 3.785 -6.266 3.290 1.00 0.00 H new ATOM 2238 N ILE C 47 4.862 -0.455 -0.449 1.00 0.00 N ATOM 2239 CA ILE C 47 3.791 -0.520 -1.414 1.00 0.00 C ATOM 2240 C ILE C 47 4.335 -0.345 -2.831 1.00 0.00 C ATOM 2241 O ILE C 47 3.760 -0.843 -3.796 1.00 0.00 O ATOM 2242 CB ILE C 47 2.685 0.507 -1.113 1.00 0.00 C ATOM 2243 CG1 ILE C 47 3.250 1.928 -1.125 1.00 0.00 C ATOM 2244 CG2 ILE C 47 2.062 0.189 0.235 1.00 0.00 C ATOM 2245 CD1 ILE C 47 2.246 3.000 -0.752 1.00 0.00 C ATOM 0 H ILE C 47 4.959 0.437 0.037 1.00 0.00 H new ATOM 0 HA ILE C 47 3.337 -1.508 -1.339 1.00 0.00 H new ATOM 0 HB ILE C 47 1.919 0.448 -1.886 1.00 0.00 H new ATOM 0 HG12 ILE C 47 4.091 1.978 -0.434 1.00 0.00 H new ATOM 0 HG13 ILE C 47 3.641 2.143 -2.119 1.00 0.00 H new ATOM 0 HG21 ILE C 47 1.278 0.914 0.453 1.00 0.00 H new ATOM 0 HG22 ILE C 47 1.634 -0.813 0.211 1.00 0.00 H new ATOM 0 HG23 ILE C 47 2.827 0.238 1.010 1.00 0.00 H new ATOM 0 HD11 ILE C 47 2.728 3.977 -0.785 1.00 0.00 H new ATOM 0 HD12 ILE C 47 1.415 2.981 -1.457 1.00 0.00 H new ATOM 0 HD13 ILE C 47 1.872 2.814 0.255 1.00 0.00 H new ATOM 2257 N GLN C 48 5.464 0.343 -2.943 1.00 0.00 N ATOM 2258 CA GLN C 48 6.232 0.363 -4.174 1.00 0.00 C ATOM 2259 C GLN C 48 6.568 -1.064 -4.590 1.00 0.00 C ATOM 2260 O GLN C 48 6.089 -1.557 -5.592 1.00 0.00 O ATOM 2261 CB GLN C 48 7.532 1.150 -3.976 1.00 0.00 C ATOM 2262 CG GLN C 48 7.343 2.652 -3.819 1.00 0.00 C ATOM 2263 CD GLN C 48 6.719 3.305 -5.037 1.00 0.00 C ATOM 2264 OE1 GLN C 48 6.893 2.843 -6.164 1.00 0.00 O ATOM 2265 NE2 GLN C 48 6.006 4.397 -4.819 1.00 0.00 N ATOM 0 H GLN C 48 5.868 0.897 -2.188 1.00 0.00 H new ATOM 0 HA GLN C 48 5.637 0.844 -4.951 1.00 0.00 H new ATOM 0 HB2 GLN C 48 8.043 0.767 -3.093 1.00 0.00 H new ATOM 0 HB3 GLN C 48 8.187 0.966 -4.828 1.00 0.00 H new ATOM 0 HG2 GLN C 48 6.714 2.844 -2.950 1.00 0.00 H new ATOM 0 HG3 GLN C 48 8.310 3.115 -3.622 1.00 0.00 H new ATOM 0 HE21 GLN C 48 5.886 4.747 -3.868 1.00 0.00 H new ATOM 0 HE22 GLN C 48 5.576 4.890 -5.602 1.00 0.00 H new ATOM 2274 N LYS C 49 7.280 -1.744 -3.719 1.00 0.00 N ATOM 2275 CA LYS C 49 7.952 -3.003 -4.031 1.00 0.00 C ATOM 2276 C LYS C 49 6.993 -4.209 -4.030 1.00 0.00 C ATOM 2277 O LYS C 49 7.417 -5.353 -4.188 1.00 0.00 O ATOM 2278 CB LYS C 49 9.141 -3.129 -3.051 1.00 0.00 C ATOM 2279 CG LYS C 49 9.825 -4.485 -2.960 1.00 0.00 C ATOM 2280 CD LYS C 49 11.277 -4.341 -2.506 1.00 0.00 C ATOM 2281 CE LYS C 49 11.426 -3.420 -1.295 1.00 0.00 C ATOM 2282 NZ LYS C 49 11.156 -4.112 -0.003 1.00 0.00 N ATOM 0 H LYS C 49 7.416 -1.439 -2.755 1.00 0.00 H new ATOM 0 HA LYS C 49 8.330 -3.000 -5.053 1.00 0.00 H new ATOM 0 HB2 LYS C 49 9.891 -2.390 -3.333 1.00 0.00 H new ATOM 0 HB3 LYS C 49 8.788 -2.861 -2.055 1.00 0.00 H new ATOM 0 HG2 LYS C 49 9.284 -5.122 -2.261 1.00 0.00 H new ATOM 0 HG3 LYS C 49 9.792 -4.978 -3.932 1.00 0.00 H new ATOM 0 HD2 LYS C 49 11.676 -5.325 -2.261 1.00 0.00 H new ATOM 0 HD3 LYS C 49 11.874 -3.951 -3.330 1.00 0.00 H new ATOM 0 HE2 LYS C 49 12.436 -3.011 -1.278 1.00 0.00 H new ATOM 0 HE3 LYS C 49 10.743 -2.577 -1.400 1.00 0.00 H new ATOM 0 HZ1 LYS C 49 11.088 -3.409 0.760 1.00 0.00 H new ATOM 0 HZ2 LYS C 49 10.261 -4.637 -0.071 1.00 0.00 H new ATOM 0 HZ3 LYS C 49 11.931 -4.774 0.205 1.00 0.00 H new ATOM 2296 N HIS C 50 5.694 -3.978 -3.811 1.00 0.00 N ATOM 2297 CA HIS C 50 4.728 -5.035 -4.162 1.00 0.00 C ATOM 2298 C HIS C 50 3.728 -4.636 -5.258 1.00 0.00 C ATOM 2299 O HIS C 50 2.907 -5.462 -5.654 1.00 0.00 O ATOM 2300 CB HIS C 50 3.943 -5.471 -2.923 1.00 0.00 C ATOM 2301 CG HIS C 50 4.816 -5.904 -1.794 1.00 0.00 C ATOM 2302 ND1 HIS C 50 5.248 -5.044 -0.816 1.00 0.00 N ATOM 2303 CD2 HIS C 50 5.367 -7.100 -1.507 1.00 0.00 C ATOM 2304 CE1 HIS C 50 6.031 -5.686 0.020 1.00 0.00 C ATOM 2305 NE2 HIS C 50 6.123 -6.935 -0.374 1.00 0.00 N ATOM 0 H HIS C 50 5.299 -3.124 -3.417 1.00 0.00 H new ATOM 0 HA HIS C 50 5.330 -5.853 -4.558 1.00 0.00 H new ATOM 0 HB2 HIS C 50 3.314 -4.645 -2.591 1.00 0.00 H new ATOM 0 HB3 HIS C 50 3.277 -6.290 -3.193 1.00 0.00 H new ATOM 0 HD1 HIS C 50 4.999 -4.057 -0.749 1.00 0.00 H new ATOM 0 HD2 HIS C 50 5.238 -8.016 -2.064 1.00 0.00 H new ATOM 0 HE1 HIS C 50 6.517 -5.259 0.885 1.00 0.00 H new ATOM 0 HE2 HIS C 50 6.668 -7.664 0.087 1.00 0.00 H new ATOM 2314 N LEU C 51 3.773 -3.402 -5.748 1.00 0.00 N ATOM 2315 CA LEU C 51 2.878 -3.005 -6.851 1.00 0.00 C ATOM 2316 C LEU C 51 3.654 -2.458 -8.044 1.00 0.00 C ATOM 2317 O LEU C 51 3.342 -2.752 -9.195 1.00 0.00 O ATOM 2318 CB LEU C 51 1.870 -1.926 -6.425 1.00 0.00 C ATOM 2319 CG LEU C 51 0.741 -2.351 -5.466 1.00 0.00 C ATOM 2320 CD1 LEU C 51 0.026 -3.600 -5.965 1.00 0.00 C ATOM 2321 CD2 LEU C 51 1.269 -2.560 -4.064 1.00 0.00 C ATOM 0 H LEU C 51 4.400 -2.669 -5.416 1.00 0.00 H new ATOM 0 HA LEU C 51 2.349 -3.916 -7.130 1.00 0.00 H new ATOM 0 HB2 LEU C 51 2.424 -1.114 -5.954 1.00 0.00 H new ATOM 0 HB3 LEU C 51 1.411 -1.519 -7.326 1.00 0.00 H new ATOM 0 HG LEU C 51 0.013 -1.540 -5.439 1.00 0.00 H new ATOM 0 HD11 LEU C 51 -0.764 -3.871 -5.265 1.00 0.00 H new ATOM 0 HD12 LEU C 51 -0.409 -3.403 -6.945 1.00 0.00 H new ATOM 0 HD13 LEU C 51 0.739 -4.421 -6.043 1.00 0.00 H new ATOM 0 HD21 LEU C 51 0.451 -2.859 -3.408 1.00 0.00 H new ATOM 0 HD22 LEU C 51 2.030 -3.340 -4.074 1.00 0.00 H new ATOM 0 HD23 LEU C 51 1.707 -1.631 -3.698 1.00 0.00 H new ATOM 2333 N ASN C 52 4.647 -1.641 -7.753 1.00 0.00 N ATOM 2334 CA ASN C 52 5.313 -0.832 -8.768 1.00 0.00 C ATOM 2335 C ASN C 52 6.810 -1.118 -8.841 1.00 0.00 C ATOM 2336 O ASN C 52 7.469 -0.786 -9.827 1.00 0.00 O ATOM 2337 CB ASN C 52 5.068 0.641 -8.450 1.00 0.00 C ATOM 2338 CG ASN C 52 3.954 1.242 -9.291 1.00 0.00 C ATOM 2339 OD1 ASN C 52 3.003 0.419 -9.706 1.00 0.00 O flip ATOM 2340 ND2 ASN C 52 3.956 2.438 -9.577 1.00 0.00 N flip ATOM 0 H ASN C 52 5.018 -1.516 -6.811 1.00 0.00 H new ATOM 0 HA ASN C 52 4.898 -1.086 -9.743 1.00 0.00 H new ATOM 0 HB2 ASN C 52 4.818 0.744 -7.394 1.00 0.00 H new ATOM 0 HB3 ASN C 52 5.987 1.203 -8.616 1.00 0.00 H new ATOM 0 HD21 ASN C 52 4.705 3.042 -9.239 1.00 0.00 H new ATOM 0 HD22 ASN C 52 3.208 2.826 -10.152 1.00 0.00 H new ATOM 2347 N LYS C 53 7.345 -1.703 -7.788 1.00 0.00 N ATOM 2348 CA LYS C 53 8.725 -2.130 -7.757 1.00 0.00 C ATOM 2349 C LYS C 53 8.789 -3.652 -7.779 1.00 0.00 C ATOM 2350 O LYS C 53 9.153 -4.212 -8.836 1.00 0.00 O ATOM 2351 CB LYS C 53 9.425 -1.603 -6.507 1.00 0.00 C ATOM 2352 CG LYS C 53 10.380 -0.460 -6.773 1.00 0.00 C ATOM 2353 CD LYS C 53 11.364 -0.310 -5.624 1.00 0.00 C ATOM 2354 CE LYS C 53 10.866 0.645 -4.561 1.00 0.00 C ATOM 2355 NZ LYS C 53 11.907 0.873 -3.528 1.00 0.00 N ATOM 2356 OXT LYS C 53 8.457 -4.276 -6.755 1.00 0.00 O ATOM 0 H LYS C 53 6.831 -1.895 -6.928 1.00 0.00 H new ATOM 0 HA LYS C 53 9.234 -1.729 -8.634 1.00 0.00 H new ATOM 0 HB2 LYS C 53 8.671 -1.274 -5.792 1.00 0.00 H new ATOM 0 HB3 LYS C 53 9.974 -2.420 -6.038 1.00 0.00 H new ATOM 0 HG2 LYS C 53 10.921 -0.639 -7.702 1.00 0.00 H new ATOM 0 HG3 LYS C 53 9.820 0.466 -6.904 1.00 0.00 H new ATOM 0 HD2 LYS C 53 11.546 -1.286 -5.175 1.00 0.00 H new ATOM 0 HD3 LYS C 53 12.319 0.046 -6.011 1.00 0.00 H new ATOM 0 HE2 LYS C 53 10.588 1.594 -5.020 1.00 0.00 H new ATOM 0 HE3 LYS C 53 9.967 0.241 -4.095 1.00 0.00 H new ATOM 0 HZ1 LYS C 53 11.630 1.675 -2.927 1.00 0.00 H new ATOM 0 HZ2 LYS C 53 12.007 0.020 -2.942 1.00 0.00 H new ATOM 0 HZ3 LYS C 53 12.814 1.084 -3.990 1.00 0.00 H new