USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 988 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 23 SER OG : rot 110:sc= -0.214 USER MOD Set 1.2: B 74 LYS NZ :NH3+ -170:sc= 0.179 (180deg=0.134) USER MOD Set 2.1: B 20 THR OG1 : rot -75:sc= -3.54! USER MOD Set 2.2: B 68 SER OG : rot 61:sc= 0.214 USER MOD Set 3.1: B 12 TYR OH : rot -54:sc= 0.221 USER MOD Set 3.2: B 67 SER OG : rot -133:sc= -0.989! USER MOD Set 4.1: A 38 SER OG : rot 17:sc= -1.34! USER MOD Set 4.2: B 40 SER OG : rot 68:sc= 0.00133 USER MOD Set 5.1: B 21 GLN : amide:sc= -5.49! K(o=-4.4!,f=-4.9) USER MOD Set 5.2: B 24 SER OG : rot -139:sc= 1.14 USER MOD Set 6.1: A 40 SER OG : rot 67:sc=0.000858 USER MOD Set 6.2: B 38 SER OG : rot 24:sc= -0.894! USER MOD Set 7.1: A 23 SER OG : rot 106:sc= -0.197 USER MOD Set 7.2: A 74 LYS NZ :NH3+ -170:sc= 0.171 (180deg=0.133) USER MOD Set 8.1: A 21 GLN : amide:sc= -5.67! C(o=-4.5!,f=-4.6!) USER MOD Set 8.2: A 24 SER OG : rot -139:sc= 1.14 USER MOD Set 9.1: A 20 THR OG1 : rot -74:sc= -3.69! USER MOD Set 9.2: A 68 SER OG : rot 64:sc= 0.245 USER MOD Set10.1: A 12 TYR OH : rot -58:sc= 0.192 USER MOD Set10.2: A 67 SER OG : rot -135:sc= -1.08! USER MOD Single : A 4 SER OG : rot 35:sc= 0.124 USER MOD Single : A 11 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0101) USER MOD Single : A 13 ASN : amide:sc= -24.9! C(o=-25!,f=-18!) USER MOD Single : A 27 ASN : amide:sc= -7.62! K(o=-7.6!,f=-0.67) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot -51:sc= 0.0671 USER MOD Single : A 66 THR OG1 : rot 153:sc= -4.12! USER MOD Single : A 70 THR OG1 : rot -145:sc= 1.53 USER MOD Single : B 4 SER OG : rot 23:sc= 0.106 USER MOD Single : B 11 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0117) USER MOD Single : B 13 ASN : amide:sc= -25! C(o=-25!,f=-18!) USER MOD Single : B 27 ASN : amide:sc= -7.79! K(o=-7.8!,f=-0.73) USER MOD Single : B 35 SER OG : rot 180:sc= 0 USER MOD Single : B 36 SER OG : rot 180:sc= 0 USER MOD Single : B 41 SER OG : rot 180:sc= 0 USER MOD Single : B 64 THR OG1 : rot -49:sc= 0.0749 USER MOD Single : B 66 THR OG1 : rot 154:sc= -4.18! USER MOD Single : B 70 THR OG1 : rot -151:sc= 1.51 USER MOD ----------------------------------------------------------------- ATOM 46 N SER A 4 -13.500 10.207 -5.400 1.00 0.00 N ATOM 47 CA SER A 4 -14.141 8.935 -5.713 1.00 0.00 C ATOM 48 C SER A 4 -13.198 7.779 -5.443 1.00 0.00 C ATOM 49 O SER A 4 -12.073 7.990 -5.012 1.00 0.00 O ATOM 50 CB SER A 4 -14.571 8.905 -7.176 1.00 0.00 C ATOM 51 OG SER A 4 -15.401 10.009 -7.490 1.00 0.00 O ATOM 0 HA SER A 4 -15.019 8.834 -5.075 1.00 0.00 H new ATOM 0 HB2 SER A 4 -13.689 8.916 -7.817 1.00 0.00 H new ATOM 0 HB3 SER A 4 -15.103 7.976 -7.382 1.00 0.00 H new ATOM 0 HG SER A 4 -15.107 10.794 -6.982 1.00 0.00 H new ATOM 57 N VAL A 5 -13.659 6.558 -5.690 1.00 0.00 N ATOM 58 CA VAL A 5 -12.820 5.389 -5.477 1.00 0.00 C ATOM 59 C VAL A 5 -11.847 5.211 -6.643 1.00 0.00 C ATOM 60 O VAL A 5 -10.639 5.109 -6.442 1.00 0.00 O ATOM 61 CB VAL A 5 -13.650 4.095 -5.260 1.00 0.00 C ATOM 62 CG1 VAL A 5 -15.116 4.422 -4.995 1.00 0.00 C ATOM 63 CG2 VAL A 5 -13.500 3.123 -6.429 1.00 0.00 C ATOM 0 H VAL A 5 -14.598 6.355 -6.034 1.00 0.00 H new ATOM 0 HA VAL A 5 -12.255 5.563 -4.561 1.00 0.00 H new ATOM 0 HB VAL A 5 -13.253 3.597 -4.375 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -15.674 3.497 -4.847 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -15.195 5.041 -4.101 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -15.528 4.962 -5.848 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -14.096 2.230 -6.239 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -13.845 3.601 -7.346 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -12.452 2.843 -6.537 1.00 0.00 H new ATOM 73 N GLY A 6 -12.382 5.180 -7.865 1.00 0.00 N ATOM 74 CA GLY A 6 -11.542 5.015 -9.035 1.00 0.00 C ATOM 75 C GLY A 6 -10.633 6.209 -9.239 1.00 0.00 C ATOM 76 O GLY A 6 -9.443 6.056 -9.526 1.00 0.00 O ATOM 0 H GLY A 6 -13.379 5.266 -8.061 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -10.940 4.113 -8.928 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -12.168 4.878 -9.917 1.00 0.00 H new ATOM 80 N ASP A 7 -11.195 7.404 -9.085 1.00 0.00 N ATOM 81 CA ASP A 7 -10.423 8.631 -9.228 1.00 0.00 C ATOM 82 C ASP A 7 -9.373 8.703 -8.138 1.00 0.00 C ATOM 83 O ASP A 7 -8.268 9.202 -8.356 1.00 0.00 O ATOM 84 CB ASP A 7 -11.337 9.853 -9.149 1.00 0.00 C ATOM 85 CG ASP A 7 -12.276 9.953 -10.334 1.00 0.00 C ATOM 86 OD1 ASP A 7 -11.882 10.554 -11.356 1.00 0.00 O ATOM 87 OD2 ASP A 7 -13.408 9.431 -10.242 1.00 0.00 O ATOM 0 H ASP A 7 -12.180 7.547 -8.862 1.00 0.00 H new ATOM 0 HA ASP A 7 -9.935 8.625 -10.203 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -11.921 9.807 -8.230 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -10.728 10.755 -9.095 1.00 0.00 H new ATOM 92 N ALA A 8 -9.732 8.207 -6.959 1.00 0.00 N ATOM 93 CA ALA A 8 -8.817 8.190 -5.833 1.00 0.00 C ATOM 94 C ALA A 8 -7.516 7.546 -6.247 1.00 0.00 C ATOM 95 O ALA A 8 -6.437 8.103 -6.053 1.00 0.00 O ATOM 96 CB ALA A 8 -9.397 7.406 -4.680 1.00 0.00 C ATOM 0 H ALA A 8 -10.652 7.812 -6.762 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.649 9.219 -5.517 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -8.693 7.408 -3.848 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.334 7.864 -4.363 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -9.584 6.379 -4.995 1.00 0.00 H new ATOM 102 N PHE A 9 -7.644 6.355 -6.817 1.00 0.00 N ATOM 103 CA PHE A 9 -6.506 5.603 -7.276 1.00 0.00 C ATOM 104 C PHE A 9 -5.592 6.477 -8.124 1.00 0.00 C ATOM 105 O PHE A 9 -4.435 6.642 -7.789 1.00 0.00 O ATOM 106 CB PHE A 9 -6.971 4.371 -8.036 1.00 0.00 C ATOM 107 CG PHE A 9 -7.155 3.201 -7.128 1.00 0.00 C ATOM 108 CD1 PHE A 9 -6.100 2.355 -6.831 1.00 0.00 C ATOM 109 CD2 PHE A 9 -8.382 2.969 -6.541 1.00 0.00 C ATOM 110 CE1 PHE A 9 -6.275 1.298 -5.963 1.00 0.00 C ATOM 111 CE2 PHE A 9 -8.561 1.913 -5.681 1.00 0.00 C ATOM 112 CZ PHE A 9 -7.509 1.080 -5.388 1.00 0.00 C ATOM 0 H PHE A 9 -8.540 5.893 -6.969 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.927 5.269 -6.415 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.911 4.589 -8.544 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.242 4.122 -8.807 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -5.133 2.524 -7.282 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -9.211 3.625 -6.760 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.448 0.643 -5.734 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -9.529 1.738 -5.235 1.00 0.00 H new ATOM 0 HZ PHE A 9 -7.649 0.254 -4.707 1.00 0.00 H new ATOM 122 N ASP A 10 -6.134 7.115 -9.160 1.00 0.00 N ATOM 123 CA ASP A 10 -5.312 7.954 -10.037 1.00 0.00 C ATOM 124 C ASP A 10 -4.364 8.811 -9.206 1.00 0.00 C ATOM 125 O ASP A 10 -3.154 8.873 -9.463 1.00 0.00 O ATOM 126 CB ASP A 10 -6.200 8.848 -10.906 1.00 0.00 C ATOM 127 CG ASP A 10 -5.395 9.790 -11.780 1.00 0.00 C ATOM 128 OD1 ASP A 10 -5.014 9.385 -12.897 1.00 0.00 O ATOM 129 OD2 ASP A 10 -5.146 10.935 -11.345 1.00 0.00 O ATOM 0 H ASP A 10 -7.121 7.070 -9.412 1.00 0.00 H new ATOM 0 HA ASP A 10 -4.725 7.305 -10.688 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.833 8.223 -11.537 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.863 9.429 -10.265 1.00 0.00 H new ATOM 134 N LYS A 11 -4.927 9.435 -8.186 1.00 0.00 N ATOM 135 CA LYS A 11 -4.166 10.278 -7.275 1.00 0.00 C ATOM 136 C LYS A 11 -3.153 9.440 -6.509 1.00 0.00 C ATOM 137 O LYS A 11 -1.994 9.824 -6.344 1.00 0.00 O ATOM 138 CB LYS A 11 -5.104 10.963 -6.299 1.00 0.00 C ATOM 139 CG LYS A 11 -4.516 12.184 -5.658 1.00 0.00 C ATOM 140 CD LYS A 11 -5.170 13.365 -6.275 1.00 0.00 C ATOM 141 CE LYS A 11 -4.355 14.636 -6.104 1.00 0.00 C ATOM 142 NZ LYS A 11 -4.174 14.991 -4.668 1.00 0.00 N ATOM 0 H LYS A 11 -5.921 9.373 -7.965 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.637 11.034 -7.855 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.019 11.242 -6.822 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.386 10.254 -5.520 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.683 12.171 -4.581 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.438 12.218 -5.813 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.325 13.177 -7.337 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.155 13.506 -5.829 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.379 14.507 -6.572 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.851 15.457 -6.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.672 15.899 -4.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.104 15.073 -4.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.619 14.250 -4.194 1.00 0.00 H new ATOM 156 N TYR A 12 -3.616 8.287 -6.042 1.00 0.00 N ATOM 157 CA TYR A 12 -2.789 7.361 -5.289 1.00 0.00 C ATOM 158 C TYR A 12 -1.621 6.870 -6.100 1.00 0.00 C ATOM 159 O TYR A 12 -0.479 7.052 -5.724 1.00 0.00 O ATOM 160 CB TYR A 12 -3.581 6.126 -4.882 1.00 0.00 C ATOM 161 CG TYR A 12 -2.852 5.282 -3.853 1.00 0.00 C ATOM 162 CD1 TYR A 12 -2.029 5.878 -2.900 1.00 0.00 C ATOM 163 CD2 TYR A 12 -2.973 3.896 -3.835 1.00 0.00 C ATOM 164 CE1 TYR A 12 -1.352 5.122 -1.966 1.00 0.00 C ATOM 165 CE2 TYR A 12 -2.294 3.139 -2.903 1.00 0.00 C ATOM 166 CZ TYR A 12 -1.485 3.753 -1.973 1.00 0.00 C ATOM 167 OH TYR A 12 -0.810 2.994 -1.045 1.00 0.00 O ATOM 0 H TYR A 12 -4.576 7.970 -6.176 1.00 0.00 H new ATOM 0 HA TYR A 12 -2.443 7.913 -4.415 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -4.545 6.434 -4.478 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -3.784 5.521 -5.766 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -1.919 6.952 -2.892 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -3.607 3.407 -4.560 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -0.721 5.602 -1.233 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -2.397 2.064 -2.903 1.00 0.00 H new ATOM 0 HH TYR A 12 0.153 3.159 -1.126 1.00 0.00 H new ATOM 177 N ASN A 13 -1.941 6.265 -7.226 1.00 0.00 N ATOM 178 CA ASN A 13 -0.949 5.668 -8.105 1.00 0.00 C ATOM 179 C ASN A 13 0.298 6.516 -8.198 1.00 0.00 C ATOM 180 O ASN A 13 1.395 6.052 -7.896 1.00 0.00 O ATOM 181 CB ASN A 13 -1.513 5.488 -9.507 1.00 0.00 C ATOM 182 CG ASN A 13 -3.010 5.227 -9.554 1.00 0.00 C ATOM 183 OD1 ASN A 13 -3.663 5.548 -10.545 1.00 0.00 O ATOM 184 ND2 ASN A 13 -3.568 4.631 -8.501 1.00 0.00 N ATOM 0 H ASN A 13 -2.900 6.172 -7.561 1.00 0.00 H new ATOM 0 HA ASN A 13 -0.691 4.700 -7.676 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -1.294 6.382 -10.091 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -0.997 4.658 -9.989 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -4.567 4.427 -8.501 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.996 4.378 -7.695 1.00 0.00 H new ATOM 191 N GLU A 14 0.135 7.751 -8.621 1.00 0.00 N ATOM 192 CA GLU A 14 1.272 8.644 -8.731 1.00 0.00 C ATOM 193 C GLU A 14 2.010 8.701 -7.385 1.00 0.00 C ATOM 194 O GLU A 14 3.240 8.632 -7.316 1.00 0.00 O ATOM 195 CB GLU A 14 0.784 10.036 -9.156 1.00 0.00 C ATOM 196 CG GLU A 14 0.294 10.894 -8.005 1.00 0.00 C ATOM 197 CD GLU A 14 1.350 11.861 -7.502 1.00 0.00 C ATOM 198 OE1 GLU A 14 2.237 11.429 -6.737 1.00 0.00 O ATOM 199 OE2 GLU A 14 1.287 13.052 -7.872 1.00 0.00 O ATOM 0 H GLU A 14 -0.761 8.157 -8.892 1.00 0.00 H new ATOM 0 HA GLU A 14 1.967 8.277 -9.486 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.597 10.556 -9.663 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.023 9.922 -9.880 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.584 11.456 -8.324 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.021 10.249 -7.185 1.00 0.00 H new ATOM 206 N ALA A 15 1.218 8.742 -6.321 1.00 0.00 N ATOM 207 CA ALA A 15 1.708 8.847 -4.954 1.00 0.00 C ATOM 208 C ALA A 15 2.342 7.568 -4.422 1.00 0.00 C ATOM 209 O ALA A 15 3.333 7.625 -3.693 1.00 0.00 O ATOM 210 CB ALA A 15 0.542 9.219 -4.054 1.00 0.00 C ATOM 0 H ALA A 15 0.201 8.703 -6.386 1.00 0.00 H new ATOM 0 HA ALA A 15 2.491 9.606 -4.957 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.889 9.302 -3.024 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.125 10.174 -4.375 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.226 8.448 -4.116 1.00 0.00 H new ATOM 216 N VAL A 16 1.782 6.420 -4.773 1.00 0.00 N ATOM 217 CA VAL A 16 2.276 5.175 -4.244 1.00 0.00 C ATOM 218 C VAL A 16 3.387 4.610 -5.060 1.00 0.00 C ATOM 219 O VAL A 16 4.415 4.191 -4.528 1.00 0.00 O ATOM 220 CB VAL A 16 1.154 4.147 -4.067 1.00 0.00 C ATOM 221 CG1 VAL A 16 0.175 4.212 -5.220 1.00 0.00 C ATOM 222 CG2 VAL A 16 1.714 2.744 -3.892 1.00 0.00 C ATOM 0 H VAL A 16 0.994 6.333 -5.415 1.00 0.00 H new ATOM 0 HA VAL A 16 2.682 5.404 -3.259 1.00 0.00 H new ATOM 0 HB VAL A 16 0.611 4.397 -3.155 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.612 3.473 -5.071 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.266 5.208 -5.267 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.698 4.003 -6.153 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.893 2.037 -3.769 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.297 2.473 -4.772 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.353 2.715 -3.010 1.00 0.00 H new ATOM 232 N ARG A 17 3.180 4.590 -6.344 1.00 0.00 N ATOM 233 CA ARG A 17 4.169 4.061 -7.223 1.00 0.00 C ATOM 234 C ARG A 17 5.503 4.702 -6.993 1.00 0.00 C ATOM 235 O ARG A 17 6.543 4.046 -7.074 1.00 0.00 O ATOM 236 CB ARG A 17 3.701 4.163 -8.668 1.00 0.00 C ATOM 237 CG ARG A 17 2.427 3.379 -8.937 1.00 0.00 C ATOM 238 CD ARG A 17 2.273 2.192 -8.003 1.00 0.00 C ATOM 239 NE ARG A 17 0.970 2.122 -7.420 1.00 0.00 N ATOM 240 CZ ARG A 17 0.704 1.333 -6.421 1.00 0.00 C ATOM 241 NH1 ARG A 17 1.511 0.337 -6.117 1.00 0.00 N ATOM 242 NH2 ARG A 17 -0.392 1.506 -5.756 1.00 0.00 N ATOM 0 H ARG A 17 2.335 4.934 -6.801 1.00 0.00 H new ATOM 0 HA ARG A 17 4.305 3.002 -7.004 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.535 5.211 -8.917 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.490 3.800 -9.326 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.567 4.039 -8.827 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.430 3.028 -9.969 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.472 1.272 -8.553 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.019 2.257 -7.211 1.00 0.00 H new ATOM 0 HE ARG A 17 0.226 2.708 -7.799 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.355 0.178 -6.667 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.292 -0.275 -5.331 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.035 2.254 -6.018 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.614 0.895 -4.970 1.00 0.00 H new ATOM 256 N VAL A 18 5.492 5.961 -6.663 1.00 0.00 N ATOM 257 CA VAL A 18 6.730 6.618 -6.399 1.00 0.00 C ATOM 258 C VAL A 18 7.235 6.233 -5.018 1.00 0.00 C ATOM 259 O VAL A 18 8.378 5.845 -4.868 1.00 0.00 O ATOM 260 CB VAL A 18 6.579 8.144 -6.496 1.00 0.00 C ATOM 261 CG1 VAL A 18 6.059 8.523 -7.873 1.00 0.00 C ATOM 262 CG2 VAL A 18 5.654 8.663 -5.400 1.00 0.00 C ATOM 0 H VAL A 18 4.657 6.539 -6.573 1.00 0.00 H new ATOM 0 HA VAL A 18 7.452 6.300 -7.151 1.00 0.00 H new ATOM 0 HB VAL A 18 7.555 8.607 -6.353 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.954 9.606 -7.937 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.761 8.181 -8.634 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.089 8.054 -8.037 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.560 9.746 -5.486 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.671 8.204 -5.506 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.069 8.411 -4.424 1.00 0.00 H new ATOM 272 N PHE A 19 6.336 6.207 -4.039 1.00 0.00 N ATOM 273 CA PHE A 19 6.733 5.956 -2.662 1.00 0.00 C ATOM 274 C PHE A 19 7.390 4.588 -2.454 1.00 0.00 C ATOM 275 O PHE A 19 8.444 4.487 -1.802 1.00 0.00 O ATOM 276 CB PHE A 19 5.537 6.246 -1.701 1.00 0.00 C ATOM 277 CG PHE A 19 4.572 5.127 -1.337 1.00 0.00 C ATOM 278 CD1 PHE A 19 4.988 3.845 -1.046 1.00 0.00 C ATOM 279 CD2 PHE A 19 3.218 5.399 -1.267 1.00 0.00 C ATOM 280 CE1 PHE A 19 4.079 2.857 -0.714 1.00 0.00 C ATOM 281 CE2 PHE A 19 2.303 4.418 -0.935 1.00 0.00 C ATOM 282 CZ PHE A 19 2.736 3.143 -0.664 1.00 0.00 C ATOM 0 H PHE A 19 5.336 6.356 -4.174 1.00 0.00 H new ATOM 0 HA PHE A 19 7.530 6.655 -2.407 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.953 6.632 -0.771 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.950 7.050 -2.145 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.041 3.608 -1.078 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.868 6.399 -1.476 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.426 1.858 -0.493 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.250 4.653 -0.889 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.025 2.370 -0.413 1.00 0.00 H new ATOM 292 N THR A 20 6.845 3.538 -3.047 1.00 0.00 N ATOM 293 CA THR A 20 7.419 2.229 -2.815 1.00 0.00 C ATOM 294 C THR A 20 8.663 1.995 -3.652 1.00 0.00 C ATOM 295 O THR A 20 9.688 1.575 -3.115 1.00 0.00 O ATOM 296 CB THR A 20 6.402 1.106 -3.003 1.00 0.00 C ATOM 297 OG1 THR A 20 5.660 0.942 -1.803 1.00 0.00 O ATOM 298 CG2 THR A 20 7.084 -0.196 -3.366 1.00 0.00 C ATOM 0 H THR A 20 6.037 3.564 -3.669 1.00 0.00 H new ATOM 0 HA THR A 20 7.723 2.211 -1.768 1.00 0.00 H new ATOM 0 HB THR A 20 5.734 1.376 -3.821 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.220 0.502 -1.130 1.00 0.00 H new ATOM 0 HG21 THR A 20 6.334 -0.977 -3.493 1.00 0.00 H new ATOM 0 HG22 THR A 20 7.638 -0.070 -4.296 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.772 -0.481 -2.570 1.00 0.00 H new ATOM 306 N GLN A 21 8.601 2.247 -4.959 1.00 0.00 N ATOM 307 CA GLN A 21 9.767 2.071 -5.769 1.00 0.00 C ATOM 308 C GLN A 21 10.846 3.011 -5.293 1.00 0.00 C ATOM 309 O GLN A 21 12.018 2.817 -5.578 1.00 0.00 O ATOM 310 CB GLN A 21 9.436 2.275 -7.234 1.00 0.00 C ATOM 311 CG GLN A 21 9.777 1.066 -8.090 1.00 0.00 C ATOM 312 CD GLN A 21 9.706 -0.265 -7.354 1.00 0.00 C ATOM 313 OE1 GLN A 21 10.519 -1.156 -7.596 1.00 0.00 O ATOM 314 NE2 GLN A 21 8.720 -0.419 -6.471 1.00 0.00 N ATOM 0 H GLN A 21 7.768 2.566 -5.455 1.00 0.00 H new ATOM 0 HA GLN A 21 10.136 1.050 -5.671 1.00 0.00 H new ATOM 0 HB2 GLN A 21 8.374 2.497 -7.334 1.00 0.00 H new ATOM 0 HB3 GLN A 21 9.979 3.143 -7.607 1.00 0.00 H new ATOM 0 HG2 GLN A 21 9.096 1.034 -8.940 1.00 0.00 H new ATOM 0 HG3 GLN A 21 10.782 1.192 -8.492 1.00 0.00 H new ATOM 0 HE21 GLN A 21 8.066 0.344 -6.299 1.00 0.00 H new ATOM 0 HE22 GLN A 21 8.619 -1.300 -5.967 1.00 0.00 H new ATOM 323 N LEU A 22 10.446 4.043 -4.565 1.00 0.00 N ATOM 324 CA LEU A 22 11.426 4.943 -4.005 1.00 0.00 C ATOM 325 C LEU A 22 12.359 4.108 -3.157 1.00 0.00 C ATOM 326 O LEU A 22 13.575 4.276 -3.201 1.00 0.00 O ATOM 327 CB LEU A 22 10.781 6.048 -3.159 1.00 0.00 C ATOM 328 CG LEU A 22 10.330 7.316 -3.912 1.00 0.00 C ATOM 329 CD1 LEU A 22 10.944 8.546 -3.277 1.00 0.00 C ATOM 330 CD2 LEU A 22 10.674 7.263 -5.403 1.00 0.00 C ATOM 0 H LEU A 22 9.474 4.270 -4.355 1.00 0.00 H new ATOM 0 HA LEU A 22 11.961 5.448 -4.809 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.914 5.626 -2.651 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.490 6.344 -2.386 1.00 0.00 H new ATOM 0 HG LEU A 22 9.244 7.368 -3.834 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.619 9.435 -3.817 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.625 8.616 -2.237 1.00 0.00 H new ATOM 0 HD13 LEU A 22 12.031 8.473 -3.319 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.335 8.179 -5.887 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.753 7.166 -5.524 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.179 6.406 -5.860 1.00 0.00 H new ATOM 342 N SER A 23 11.773 3.181 -2.395 1.00 0.00 N ATOM 343 CA SER A 23 12.574 2.285 -1.568 1.00 0.00 C ATOM 344 C SER A 23 13.287 1.222 -2.420 1.00 0.00 C ATOM 345 O SER A 23 14.492 1.013 -2.275 1.00 0.00 O ATOM 346 CB SER A 23 11.717 1.617 -0.485 1.00 0.00 C ATOM 347 OG SER A 23 11.450 2.521 0.572 1.00 0.00 O ATOM 0 H SER A 23 10.765 3.035 -2.335 1.00 0.00 H new ATOM 0 HA SER A 23 13.335 2.891 -1.077 1.00 0.00 H new ATOM 0 HB2 SER A 23 10.779 1.270 -0.919 1.00 0.00 H new ATOM 0 HB3 SER A 23 12.233 0.738 -0.097 1.00 0.00 H new ATOM 0 HG SER A 23 10.517 2.816 0.522 1.00 0.00 H new ATOM 353 N SER A 24 12.549 0.550 -3.307 1.00 0.00 N ATOM 354 CA SER A 24 13.138 -0.487 -4.162 1.00 0.00 C ATOM 355 C SER A 24 14.162 0.083 -5.124 1.00 0.00 C ATOM 356 O SER A 24 15.328 -0.311 -5.103 1.00 0.00 O ATOM 357 CB SER A 24 12.062 -1.211 -4.958 1.00 0.00 C ATOM 358 OG SER A 24 12.620 -1.896 -6.065 1.00 0.00 O ATOM 0 H SER A 24 11.551 0.702 -3.452 1.00 0.00 H new ATOM 0 HA SER A 24 13.639 -1.190 -3.496 1.00 0.00 H new ATOM 0 HB2 SER A 24 11.543 -1.919 -4.313 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.319 -0.494 -5.307 1.00 0.00 H new ATOM 0 HG SER A 24 12.037 -1.787 -6.845 1.00 0.00 H new ATOM 364 N ALA A 25 13.713 0.994 -5.979 1.00 0.00 N ATOM 365 CA ALA A 25 14.592 1.621 -6.949 1.00 0.00 C ATOM 366 C ALA A 25 15.847 2.094 -6.242 1.00 0.00 C ATOM 367 O ALA A 25 16.944 2.053 -6.797 1.00 0.00 O ATOM 368 CB ALA A 25 13.885 2.786 -7.641 1.00 0.00 C ATOM 0 H ALA A 25 12.745 1.313 -6.018 1.00 0.00 H new ATOM 0 HA ALA A 25 14.863 0.897 -7.718 1.00 0.00 H new ATOM 0 HB1 ALA A 25 14.560 3.243 -8.364 1.00 0.00 H new ATOM 0 HB2 ALA A 25 12.997 2.419 -8.155 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.593 3.528 -6.898 1.00 0.00 H new ATOM 374 N ALA A 26 15.671 2.505 -4.991 1.00 0.00 N ATOM 375 CA ALA A 26 16.781 2.981 -4.180 1.00 0.00 C ATOM 376 C ALA A 26 17.849 1.909 -4.001 1.00 0.00 C ATOM 377 O ALA A 26 19.042 2.212 -4.056 1.00 0.00 O ATOM 378 CB ALA A 26 16.290 3.467 -2.825 1.00 0.00 C ATOM 0 H ALA A 26 14.768 2.517 -4.518 1.00 0.00 H new ATOM 0 HA ALA A 26 17.234 3.818 -4.711 1.00 0.00 H new ATOM 0 HB1 ALA A 26 17.137 3.818 -2.236 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.582 4.284 -2.966 1.00 0.00 H new ATOM 0 HB3 ALA A 26 15.798 2.648 -2.301 1.00 0.00 H new ATOM 384 N ASN A 27 17.440 0.654 -3.786 1.00 0.00 N ATOM 385 CA ASN A 27 18.428 -0.407 -3.593 1.00 0.00 C ATOM 386 C ASN A 27 17.886 -1.833 -3.767 1.00 0.00 C ATOM 387 O ASN A 27 18.589 -2.685 -4.312 1.00 0.00 O ATOM 388 CB ASN A 27 19.064 -0.276 -2.207 1.00 0.00 C ATOM 389 CG ASN A 27 18.082 0.179 -1.137 1.00 0.00 C ATOM 390 OD1 ASN A 27 18.481 0.747 -0.121 1.00 0.00 O ATOM 391 ND2 ASN A 27 16.790 -0.056 -1.359 1.00 0.00 N ATOM 0 H ASN A 27 16.465 0.356 -3.742 1.00 0.00 H new ATOM 0 HA ASN A 27 19.163 -0.266 -4.385 1.00 0.00 H new ATOM 0 HB2 ASN A 27 19.488 -1.237 -1.917 1.00 0.00 H new ATOM 0 HB3 ASN A 27 19.890 0.434 -2.259 1.00 0.00 H new ATOM 0 HD21 ASN A 27 16.093 0.238 -0.674 1.00 0.00 H new ATOM 0 HD22 ASN A 27 16.497 -0.530 -2.214 1.00 0.00 H new ATOM 398 N CYS A 28 16.656 -2.109 -3.327 1.00 0.00 N ATOM 399 CA CYS A 28 16.128 -3.473 -3.415 1.00 0.00 C ATOM 400 C CYS A 28 14.671 -3.565 -2.974 1.00 0.00 C ATOM 401 O CYS A 28 14.141 -2.649 -2.375 1.00 0.00 O ATOM 402 CB CYS A 28 16.989 -4.379 -2.528 1.00 0.00 C ATOM 403 SG CYS A 28 16.095 -5.702 -1.657 1.00 0.00 S ATOM 0 H CYS A 28 16.020 -1.425 -2.916 1.00 0.00 H new ATOM 0 HA CYS A 28 16.165 -3.787 -4.458 1.00 0.00 H new ATOM 0 HB2 CYS A 28 17.763 -4.834 -3.146 1.00 0.00 H new ATOM 0 HB3 CYS A 28 17.495 -3.759 -1.788 1.00 0.00 H new ATOM 408 N ASP A 29 14.033 -4.686 -3.294 1.00 0.00 N ATOM 409 CA ASP A 29 12.645 -4.940 -2.903 1.00 0.00 C ATOM 410 C ASP A 29 12.573 -6.135 -1.949 1.00 0.00 C ATOM 411 O ASP A 29 13.394 -7.046 -2.045 1.00 0.00 O ATOM 412 CB ASP A 29 11.787 -5.222 -4.138 1.00 0.00 C ATOM 413 CG ASP A 29 12.599 -5.779 -5.292 1.00 0.00 C ATOM 414 OD1 ASP A 29 12.824 -7.007 -5.320 1.00 0.00 O ATOM 415 OD2 ASP A 29 13.008 -4.988 -6.166 1.00 0.00 O ATOM 0 H ASP A 29 14.458 -5.443 -3.829 1.00 0.00 H new ATOM 0 HA ASP A 29 12.264 -4.053 -2.397 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.000 -5.929 -3.876 1.00 0.00 H new ATOM 0 HB3 ASP A 29 11.296 -4.301 -4.454 1.00 0.00 H new ATOM 420 N TRP A 30 11.598 -6.148 -1.028 1.00 0.00 N ATOM 421 CA TRP A 30 11.484 -7.276 -0.106 1.00 0.00 C ATOM 422 C TRP A 30 11.082 -8.511 -0.902 1.00 0.00 C ATOM 423 O TRP A 30 11.667 -9.583 -0.744 1.00 0.00 O ATOM 424 CB TRP A 30 10.503 -7.002 1.063 1.00 0.00 C ATOM 425 CG TRP A 30 9.167 -6.491 0.676 1.00 0.00 C ATOM 426 CD1 TRP A 30 8.186 -7.106 -0.040 1.00 0.00 C ATOM 427 CD2 TRP A 30 8.662 -5.227 1.052 1.00 0.00 C ATOM 428 NE1 TRP A 30 7.115 -6.258 -0.174 1.00 0.00 N ATOM 429 CE2 TRP A 30 7.395 -5.097 0.495 1.00 0.00 C ATOM 430 CE3 TRP A 30 9.186 -4.180 1.799 1.00 0.00 C ATOM 431 CZ2 TRP A 30 6.643 -3.953 0.661 1.00 0.00 C ATOM 432 CZ3 TRP A 30 8.442 -3.046 1.971 1.00 0.00 C ATOM 433 CH2 TRP A 30 7.183 -2.934 1.402 1.00 0.00 C ATOM 0 H TRP A 30 10.900 -5.414 -0.906 1.00 0.00 H new ATOM 0 HA TRP A 30 12.453 -7.439 0.367 1.00 0.00 H new ATOM 0 HB2 TRP A 30 10.369 -7.927 1.625 1.00 0.00 H new ATOM 0 HB3 TRP A 30 10.965 -6.282 1.739 1.00 0.00 H new ATOM 0 HD1 TRP A 30 8.242 -8.107 -0.441 1.00 0.00 H new ATOM 0 HE1 TRP A 30 6.256 -6.459 -0.686 1.00 0.00 H new ATOM 0 HE3 TRP A 30 10.169 -4.261 2.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 5.661 -3.863 0.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 8.839 -2.230 2.556 1.00 0.00 H new ATOM 0 HH2 TRP A 30 6.616 -2.026 1.545 1.00 0.00 H new ATOM 444 N ALA A 31 10.095 -8.320 -1.782 1.00 0.00 N ATOM 445 CA ALA A 31 9.592 -9.365 -2.671 1.00 0.00 C ATOM 446 C ALA A 31 8.811 -10.438 -1.920 1.00 0.00 C ATOM 447 O ALA A 31 7.761 -10.897 -2.368 1.00 0.00 O ATOM 448 CB ALA A 31 10.745 -9.982 -3.437 1.00 0.00 C ATOM 0 H ALA A 31 9.619 -7.425 -1.897 1.00 0.00 H new ATOM 0 HA ALA A 31 8.896 -8.901 -3.370 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.367 -10.761 -4.099 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.242 -9.213 -4.028 1.00 0.00 H new ATOM 0 HB3 ALA A 31 11.457 -10.417 -2.735 1.00 0.00 H new ATOM 454 N ALA A 32 9.334 -10.836 -0.780 1.00 0.00 N ATOM 455 CA ALA A 32 8.700 -11.860 0.034 1.00 0.00 C ATOM 456 C ALA A 32 7.422 -11.340 0.680 1.00 0.00 C ATOM 457 O ALA A 32 6.393 -12.021 0.692 1.00 0.00 O ATOM 458 CB ALA A 32 9.665 -12.357 1.099 1.00 0.00 C ATOM 0 H ALA A 32 10.201 -10.466 -0.391 1.00 0.00 H new ATOM 0 HA ALA A 32 8.432 -12.691 -0.618 1.00 0.00 H new ATOM 0 HB1 ALA A 32 9.178 -13.124 1.702 1.00 0.00 H new ATOM 0 HB2 ALA A 32 10.549 -12.779 0.621 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.960 -11.525 1.739 1.00 0.00 H new ATOM 464 N CYS A 33 7.486 -10.122 1.203 1.00 0.00 N ATOM 465 CA CYS A 33 6.337 -9.525 1.866 1.00 0.00 C ATOM 466 C CYS A 33 5.199 -9.254 0.903 1.00 0.00 C ATOM 467 O CYS A 33 4.053 -9.552 1.199 1.00 0.00 O ATOM 468 CB CYS A 33 6.724 -8.238 2.573 1.00 0.00 C ATOM 469 SG CYS A 33 6.205 -8.190 4.324 1.00 0.00 S ATOM 0 H CYS A 33 8.318 -9.532 1.181 1.00 0.00 H new ATOM 0 HA CYS A 33 5.991 -10.250 2.603 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.805 -8.113 2.518 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.278 -7.394 2.046 1.00 0.00 H new ATOM 474 N LEU A 34 5.489 -8.679 -0.245 1.00 0.00 N ATOM 475 CA LEU A 34 4.426 -8.397 -1.187 1.00 0.00 C ATOM 476 C LEU A 34 3.636 -9.662 -1.478 1.00 0.00 C ATOM 477 O LEU A 34 2.409 -9.636 -1.536 1.00 0.00 O ATOM 478 CB LEU A 34 4.966 -7.752 -2.450 1.00 0.00 C ATOM 479 CG LEU A 34 6.337 -8.247 -2.874 1.00 0.00 C ATOM 480 CD1 LEU A 34 6.203 -9.253 -3.998 1.00 0.00 C ATOM 481 CD2 LEU A 34 7.210 -7.081 -3.290 1.00 0.00 C ATOM 0 H LEU A 34 6.425 -8.404 -0.544 1.00 0.00 H new ATOM 0 HA LEU A 34 3.743 -7.675 -0.740 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.262 -7.930 -3.263 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.014 -6.673 -2.300 1.00 0.00 H new ATOM 0 HG LEU A 34 6.813 -8.742 -2.028 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.192 -9.601 -4.294 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.606 -10.100 -3.659 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.714 -8.783 -4.851 1.00 0.00 H new ATOM 0 HD21 LEU A 34 8.190 -7.450 -3.592 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.746 -6.559 -4.127 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.323 -6.394 -2.451 1.00 0.00 H new ATOM 493 N SER A 35 4.334 -10.778 -1.637 1.00 0.00 N ATOM 494 CA SER A 35 3.658 -12.047 -1.855 1.00 0.00 C ATOM 495 C SER A 35 2.634 -12.247 -0.744 1.00 0.00 C ATOM 496 O SER A 35 1.557 -12.805 -0.953 1.00 0.00 O ATOM 497 CB SER A 35 4.668 -13.190 -1.832 1.00 0.00 C ATOM 498 OG SER A 35 4.040 -14.433 -2.095 1.00 0.00 O ATOM 0 H SER A 35 5.353 -10.830 -1.620 1.00 0.00 H new ATOM 0 HA SER A 35 3.164 -12.038 -2.826 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.445 -13.008 -2.575 1.00 0.00 H new ATOM 0 HB3 SER A 35 5.159 -13.226 -0.859 1.00 0.00 H new ATOM 0 HG SER A 35 4.710 -15.148 -2.076 1.00 0.00 H new ATOM 504 N SER A 36 3.007 -11.771 0.441 1.00 0.00 N ATOM 505 CA SER A 36 2.164 -11.856 1.640 1.00 0.00 C ATOM 506 C SER A 36 0.766 -11.257 1.417 1.00 0.00 C ATOM 507 O SER A 36 -0.228 -11.835 1.854 1.00 0.00 O ATOM 508 CB SER A 36 2.855 -11.159 2.819 1.00 0.00 C ATOM 509 OG SER A 36 2.499 -11.760 4.052 1.00 0.00 O ATOM 0 H SER A 36 3.904 -11.313 0.602 1.00 0.00 H new ATOM 0 HA SER A 36 2.029 -12.914 1.867 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.936 -11.205 2.688 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.580 -10.104 2.833 1.00 0.00 H new ATOM 0 HG SER A 36 2.955 -11.297 4.785 1.00 0.00 H new ATOM 515 N LEU A 37 0.676 -10.094 0.762 1.00 0.00 N ATOM 516 CA LEU A 37 -0.642 -9.490 0.501 1.00 0.00 C ATOM 517 C LEU A 37 -1.370 -10.369 -0.488 1.00 0.00 C ATOM 518 O LEU A 37 -2.534 -10.720 -0.297 1.00 0.00 O ATOM 519 CB LEU A 37 -0.559 -8.057 -0.054 1.00 0.00 C ATOM 520 CG LEU A 37 -1.815 -7.588 -0.787 1.00 0.00 C ATOM 521 CD1 LEU A 37 -2.996 -7.514 0.157 1.00 0.00 C ATOM 522 CD2 LEU A 37 -1.597 -6.254 -1.459 1.00 0.00 C ATOM 0 H LEU A 37 1.473 -9.563 0.411 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.171 -9.421 1.452 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.358 -7.373 0.770 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.289 -7.993 -0.736 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.034 -8.324 -1.561 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.878 -7.178 -0.389 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.186 -8.500 0.580 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.776 -6.811 0.960 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.510 -5.951 -1.971 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.336 -5.507 -0.709 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.787 -6.339 -2.183 1.00 0.00 H new ATOM 534 N SER A 38 -0.660 -10.721 -1.551 1.00 0.00 N ATOM 535 CA SER A 38 -1.200 -11.596 -2.575 1.00 0.00 C ATOM 536 C SER A 38 -1.374 -13.001 -2.009 1.00 0.00 C ATOM 537 O SER A 38 -1.758 -13.931 -2.714 1.00 0.00 O ATOM 538 CB SER A 38 -0.276 -11.611 -3.798 1.00 0.00 C ATOM 539 OG SER A 38 -0.146 -12.914 -4.336 1.00 0.00 O ATOM 0 H SER A 38 0.296 -10.411 -1.724 1.00 0.00 H new ATOM 0 HA SER A 38 -2.175 -11.224 -2.891 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.670 -10.939 -4.561 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.707 -11.233 -3.517 1.00 0.00 H new ATOM 0 HG SER A 38 -0.868 -13.482 -3.995 1.00 0.00 H new ATOM 545 N ALA A 39 -1.084 -13.137 -0.720 1.00 0.00 N ATOM 546 CA ALA A 39 -1.211 -14.410 -0.026 1.00 0.00 C ATOM 547 C ALA A 39 -2.553 -14.485 0.690 1.00 0.00 C ATOM 548 O ALA A 39 -3.351 -15.377 0.406 1.00 0.00 O ATOM 549 CB ALA A 39 -0.065 -14.596 0.959 1.00 0.00 C ATOM 0 H ALA A 39 -0.756 -12.372 -0.131 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.164 -15.215 -0.759 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.175 -15.553 1.469 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.883 -14.579 0.422 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.081 -13.790 1.692 1.00 0.00 H new ATOM 555 N SER A 40 -2.772 -13.533 1.617 1.00 0.00 N ATOM 556 CA SER A 40 -4.019 -13.419 2.397 1.00 0.00 C ATOM 557 C SER A 40 -3.754 -12.900 3.802 1.00 0.00 C ATOM 558 O SER A 40 -3.038 -13.526 4.584 1.00 0.00 O ATOM 559 CB SER A 40 -4.766 -14.753 2.506 1.00 0.00 C ATOM 560 OG SER A 40 -5.912 -14.628 3.330 1.00 0.00 O ATOM 0 H SER A 40 -2.084 -12.816 1.847 1.00 0.00 H new ATOM 0 HA SER A 40 -4.642 -12.710 1.852 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.063 -15.090 1.513 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.101 -15.514 2.915 1.00 0.00 H new ATOM 0 HG SER A 40 -6.564 -14.039 2.896 1.00 0.00 H new ATOM 566 N SER A 41 -4.338 -11.750 4.114 1.00 0.00 N ATOM 567 CA SER A 41 -4.212 -11.162 5.439 1.00 0.00 C ATOM 568 C SER A 41 -5.590 -11.048 6.055 1.00 0.00 C ATOM 569 O SER A 41 -6.515 -10.533 5.429 1.00 0.00 O ATOM 570 CB SER A 41 -3.558 -9.777 5.397 1.00 0.00 C ATOM 571 OG SER A 41 -2.547 -9.663 6.383 1.00 0.00 O ATOM 0 H SER A 41 -4.905 -11.205 3.464 1.00 0.00 H new ATOM 0 HA SER A 41 -3.570 -11.809 6.037 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.130 -9.603 4.410 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.315 -9.009 5.556 1.00 0.00 H new ATOM 0 HG SER A 41 -2.143 -8.771 6.336 1.00 0.00 H new ATOM 577 N ALA A 42 -5.718 -11.522 7.282 1.00 0.00 N ATOM 578 CA ALA A 42 -6.992 -11.476 7.990 1.00 0.00 C ATOM 579 C ALA A 42 -7.482 -10.044 8.095 1.00 0.00 C ATOM 580 O ALA A 42 -8.606 -9.780 8.522 1.00 0.00 O ATOM 581 CB ALA A 42 -6.852 -12.089 9.372 1.00 0.00 C ATOM 0 H ALA A 42 -4.956 -11.944 7.812 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.724 -12.055 7.427 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.811 -12.047 9.888 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.535 -13.128 9.279 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.109 -11.533 9.943 1.00 0.00 H new ATOM 587 N ALA A 43 -6.615 -9.127 7.698 1.00 0.00 N ATOM 588 CA ALA A 43 -6.906 -7.710 7.753 1.00 0.00 C ATOM 589 C ALA A 43 -7.634 -7.214 6.511 1.00 0.00 C ATOM 590 O ALA A 43 -8.733 -6.688 6.623 1.00 0.00 O ATOM 591 CB ALA A 43 -5.609 -6.945 7.971 1.00 0.00 C ATOM 0 H ALA A 43 -5.690 -9.348 7.329 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.583 -7.533 8.589 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.820 -5.876 8.014 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.152 -7.263 8.908 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.924 -7.147 7.147 1.00 0.00 H new ATOM 597 N CYS A 44 -7.035 -7.399 5.337 1.00 0.00 N ATOM 598 CA CYS A 44 -7.640 -6.945 4.078 1.00 0.00 C ATOM 599 C CYS A 44 -9.151 -7.189 4.067 1.00 0.00 C ATOM 600 O CYS A 44 -9.920 -6.379 3.546 1.00 0.00 O ATOM 601 CB CYS A 44 -6.987 -7.666 2.892 1.00 0.00 C ATOM 602 SG CYS A 44 -5.587 -6.791 2.125 1.00 0.00 S ATOM 0 H CYS A 44 -6.132 -7.859 5.227 1.00 0.00 H new ATOM 0 HA CYS A 44 -7.469 -5.872 3.990 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -6.643 -8.644 3.228 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -7.747 -7.839 2.130 1.00 0.00 H new ATOM 607 N ILE A 45 -9.566 -8.303 4.653 1.00 0.00 N ATOM 608 CA ILE A 45 -10.979 -8.659 4.704 1.00 0.00 C ATOM 609 C ILE A 45 -11.702 -7.972 5.867 1.00 0.00 C ATOM 610 O ILE A 45 -12.752 -7.304 5.687 1.00 0.00 O ATOM 611 CB ILE A 45 -11.165 -10.185 4.778 1.00 0.00 C ATOM 612 CG1 ILE A 45 -9.908 -10.898 4.272 1.00 0.00 C ATOM 613 CG2 ILE A 45 -12.372 -10.603 3.950 1.00 0.00 C ATOM 614 CD1 ILE A 45 -9.150 -11.638 5.353 1.00 0.00 C ATOM 0 H ILE A 45 -8.945 -8.977 5.100 1.00 0.00 H new ATOM 0 HA ILE A 45 -11.430 -8.301 3.779 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.333 -10.468 5.817 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -10.191 -11.604 3.491 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -9.245 -10.164 3.813 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -12.496 -11.684 4.008 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -13.266 -10.114 4.337 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -12.219 -10.311 2.911 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.273 -12.118 4.919 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.835 -10.934 6.123 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.796 -12.396 5.796 1.00 0.00 H new ATOM 626 N ALA A 46 -11.134 -8.104 7.068 1.00 0.00 N ATOM 627 CA ALA A 46 -11.727 -7.465 8.235 1.00 0.00 C ATOM 628 C ALA A 46 -11.878 -5.997 7.903 1.00 0.00 C ATOM 629 O ALA A 46 -12.684 -5.253 8.473 1.00 0.00 O ATOM 630 CB ALA A 46 -10.848 -7.663 9.460 1.00 0.00 C ATOM 0 H ALA A 46 -10.283 -8.636 7.252 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.696 -7.905 8.470 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.309 -7.178 10.321 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.737 -8.729 9.660 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.867 -7.224 9.279 1.00 0.00 H new ATOM 636 N ALA A 47 -11.081 -5.625 6.923 1.00 0.00 N ATOM 637 CA ALA A 47 -11.027 -4.290 6.401 1.00 0.00 C ATOM 638 C ALA A 47 -12.259 -3.973 5.587 1.00 0.00 C ATOM 639 O ALA A 47 -12.853 -2.909 5.747 1.00 0.00 O ATOM 640 CB ALA A 47 -9.803 -4.160 5.529 1.00 0.00 C ATOM 0 H ALA A 47 -10.438 -6.267 6.460 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.981 -3.588 7.234 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -9.750 -3.149 5.125 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.911 -4.362 6.122 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -9.863 -4.875 4.709 1.00 0.00 H new ATOM 646 N VAL A 48 -12.658 -4.916 4.733 1.00 0.00 N ATOM 647 CA VAL A 48 -13.808 -4.712 3.867 1.00 0.00 C ATOM 648 C VAL A 48 -14.886 -3.979 4.605 1.00 0.00 C ATOM 649 O VAL A 48 -15.526 -3.075 4.070 1.00 0.00 O ATOM 650 CB VAL A 48 -14.401 -6.040 3.365 1.00 0.00 C ATOM 651 CG1 VAL A 48 -15.514 -5.787 2.359 1.00 0.00 C ATOM 652 CG2 VAL A 48 -13.325 -6.919 2.766 1.00 0.00 C ATOM 0 H VAL A 48 -12.202 -5.822 4.626 1.00 0.00 H new ATOM 0 HA VAL A 48 -13.456 -4.135 3.012 1.00 0.00 H new ATOM 0 HB VAL A 48 -14.828 -6.565 4.220 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -15.919 -6.740 2.017 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -16.305 -5.205 2.831 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -15.116 -5.235 1.507 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -13.769 -7.852 2.418 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -12.860 -6.403 1.926 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -12.570 -7.136 3.522 1.00 0.00 H new ATOM 662 N GLY A 49 -15.082 -4.375 5.834 1.00 0.00 N ATOM 663 CA GLY A 49 -16.111 -3.728 6.635 1.00 0.00 C ATOM 664 C GLY A 49 -15.656 -2.514 7.427 1.00 0.00 C ATOM 665 O GLY A 49 -16.466 -1.646 7.742 1.00 0.00 O ATOM 0 H GLY A 49 -14.565 -5.120 6.301 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -16.924 -3.426 5.975 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -16.520 -4.461 7.330 1.00 0.00 H new ATOM 669 N GLU A 50 -14.374 -2.419 7.718 1.00 0.00 N ATOM 670 CA GLU A 50 -13.882 -1.342 8.571 1.00 0.00 C ATOM 671 C GLU A 50 -13.461 -0.012 7.881 1.00 0.00 C ATOM 672 O GLU A 50 -12.613 0.692 8.417 1.00 0.00 O ATOM 673 CB GLU A 50 -12.801 -1.874 9.502 1.00 0.00 C ATOM 674 CG GLU A 50 -12.500 -0.926 10.647 1.00 0.00 C ATOM 675 CD GLU A 50 -13.362 -1.191 11.866 1.00 0.00 C ATOM 676 OE1 GLU A 50 -13.027 -2.109 12.643 1.00 0.00 O ATOM 677 OE2 GLU A 50 -14.375 -0.480 12.042 1.00 0.00 O ATOM 0 H GLU A 50 -13.657 -3.063 7.384 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.758 -1.025 9.138 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -13.115 -2.837 9.905 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.889 -2.050 8.931 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -11.449 -1.017 10.923 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -12.654 0.100 10.314 1.00 0.00 H new ATOM 684 N LEU A 51 -13.934 0.276 6.657 1.00 0.00 N ATOM 685 CA LEU A 51 -13.673 1.592 5.998 1.00 0.00 C ATOM 686 C LEU A 51 -12.657 1.517 4.901 1.00 0.00 C ATOM 687 O LEU A 51 -11.440 1.464 5.145 1.00 0.00 O ATOM 688 CB LEU A 51 -13.279 2.695 6.975 1.00 0.00 C ATOM 689 CG LEU A 51 -13.458 4.118 6.440 1.00 0.00 C ATOM 690 CD1 LEU A 51 -14.931 4.460 6.249 1.00 0.00 C ATOM 691 CD2 LEU A 51 -12.778 5.129 7.351 1.00 0.00 C ATOM 0 H LEU A 51 -14.494 -0.368 6.099 1.00 0.00 H new ATOM 0 HA LEU A 51 -14.635 1.854 5.558 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -13.872 2.586 7.883 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -12.235 2.556 7.257 1.00 0.00 H new ATOM 0 HG LEU A 51 -12.980 4.166 5.462 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -15.022 5.477 5.868 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -15.377 3.765 5.537 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -15.449 4.383 7.205 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -12.919 6.133 6.950 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -13.215 5.072 8.348 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -11.712 4.908 7.409 1.00 0.00 H new ATOM 703 N GLY A 52 -13.200 1.524 3.680 1.00 0.00 N ATOM 704 CA GLY A 52 -12.411 1.438 2.482 1.00 0.00 C ATOM 705 C GLY A 52 -11.451 0.328 2.616 1.00 0.00 C ATOM 706 O GLY A 52 -10.515 0.188 1.833 1.00 0.00 O ATOM 0 H GLY A 52 -14.204 1.590 3.511 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -13.055 1.276 1.618 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.881 2.375 2.313 1.00 0.00 H new ATOM 710 N LEU A 53 -11.745 -0.468 3.630 1.00 0.00 N ATOM 711 CA LEU A 53 -10.977 -1.603 4.012 1.00 0.00 C ATOM 712 C LEU A 53 -9.962 -1.171 5.053 1.00 0.00 C ATOM 713 O LEU A 53 -8.768 -1.416 4.897 1.00 0.00 O ATOM 714 CB LEU A 53 -10.309 -2.291 2.820 1.00 0.00 C ATOM 715 CG LEU A 53 -11.208 -2.643 1.613 1.00 0.00 C ATOM 716 CD1 LEU A 53 -11.016 -4.098 1.205 1.00 0.00 C ATOM 717 CD2 LEU A 53 -12.678 -2.369 1.899 1.00 0.00 C ATOM 0 H LEU A 53 -12.562 -0.321 4.223 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.646 -2.351 4.439 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.504 -1.647 2.465 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.847 -3.211 3.177 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.904 -1.999 0.788 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -11.658 -4.325 0.354 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.975 -4.264 0.929 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -11.278 -4.748 2.040 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -13.274 -2.630 1.024 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -13.001 -2.968 2.750 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -12.813 -1.312 2.127 1.00 0.00 H new ATOM 729 N ASP A 54 -10.469 -0.530 6.131 1.00 0.00 N ATOM 730 CA ASP A 54 -9.620 -0.035 7.216 1.00 0.00 C ATOM 731 C ASP A 54 -8.180 -0.138 6.830 1.00 0.00 C ATOM 732 O ASP A 54 -7.627 -1.231 6.841 1.00 0.00 O ATOM 733 CB ASP A 54 -9.828 -0.841 8.485 1.00 0.00 C ATOM 734 CG ASP A 54 -9.390 -0.100 9.733 1.00 0.00 C ATOM 735 OD1 ASP A 54 -9.934 0.993 9.995 1.00 0.00 O ATOM 736 OD2 ASP A 54 -8.508 -0.616 10.451 1.00 0.00 O ATOM 0 H ASP A 54 -11.464 -0.348 6.264 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.893 1.005 7.397 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -10.882 -1.102 8.575 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.273 -1.776 8.410 1.00 0.00 H new ATOM 741 N VAL A 55 -7.573 0.966 6.461 1.00 0.00 N ATOM 742 CA VAL A 55 -6.173 0.909 6.064 1.00 0.00 C ATOM 743 C VAL A 55 -5.380 0.017 6.998 1.00 0.00 C ATOM 744 O VAL A 55 -4.683 -0.872 6.513 1.00 0.00 O ATOM 745 CB VAL A 55 -5.495 2.291 5.952 1.00 0.00 C ATOM 746 CG1 VAL A 55 -4.425 2.509 7.027 1.00 0.00 C ATOM 747 CG2 VAL A 55 -4.875 2.434 4.580 1.00 0.00 C ATOM 0 H VAL A 55 -8.004 1.890 6.425 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.174 0.484 5.060 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.264 3.048 6.105 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.980 3.496 6.902 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.882 2.439 8.014 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.651 1.747 6.930 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.395 3.409 4.497 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.132 1.650 4.433 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.651 2.346 3.819 1.00 0.00 H new ATOM 757 N PRO A 56 -5.502 0.203 8.346 1.00 0.00 N ATOM 758 CA PRO A 56 -4.763 -0.613 9.307 1.00 0.00 C ATOM 759 C PRO A 56 -4.915 -2.081 8.982 1.00 0.00 C ATOM 760 O PRO A 56 -4.111 -2.915 9.400 1.00 0.00 O ATOM 761 CB PRO A 56 -5.415 -0.283 10.650 1.00 0.00 C ATOM 762 CG PRO A 56 -5.965 1.086 10.471 1.00 0.00 C ATOM 763 CD PRO A 56 -6.389 1.175 9.032 1.00 0.00 C ATOM 0 HA PRO A 56 -3.692 -0.409 9.301 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -6.201 -0.997 10.896 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.689 -0.316 11.462 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -6.810 1.258 11.138 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -5.215 1.842 10.705 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.440 0.916 8.907 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -6.260 2.183 8.638 1.00 0.00 H new ATOM 771 N LEU A 57 -5.992 -2.393 8.279 1.00 0.00 N ATOM 772 CA LEU A 57 -6.245 -3.746 7.864 1.00 0.00 C ATOM 773 C LEU A 57 -5.774 -4.022 6.435 1.00 0.00 C ATOM 774 O LEU A 57 -4.735 -4.629 6.239 1.00 0.00 O ATOM 775 CB LEU A 57 -7.722 -4.097 8.004 1.00 0.00 C ATOM 776 CG LEU A 57 -8.322 -3.900 9.404 1.00 0.00 C ATOM 777 CD1 LEU A 57 -9.771 -4.345 9.435 1.00 0.00 C ATOM 778 CD2 LEU A 57 -7.521 -4.663 10.449 1.00 0.00 C ATOM 0 H LEU A 57 -6.701 -1.720 7.988 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.662 -4.383 8.529 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.289 -3.492 7.297 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.858 -5.139 7.713 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.277 -2.837 9.639 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -10.176 -4.197 10.436 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.347 -3.758 8.720 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -9.833 -5.401 9.171 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.965 -4.508 11.432 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.531 -5.726 10.210 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.493 -4.302 10.454 1.00 0.00 H new ATOM 790 N ASP A 58 -6.545 -3.544 5.452 1.00 0.00 N ATOM 791 CA ASP A 58 -6.280 -3.793 4.024 1.00 0.00 C ATOM 792 C ASP A 58 -5.006 -3.208 3.466 1.00 0.00 C ATOM 793 O ASP A 58 -4.166 -3.943 2.971 1.00 0.00 O ATOM 794 CB ASP A 58 -7.428 -3.265 3.196 1.00 0.00 C ATOM 795 CG ASP A 58 -7.173 -3.346 1.703 1.00 0.00 C ATOM 796 OD1 ASP A 58 -6.204 -4.018 1.298 1.00 0.00 O ATOM 797 OD2 ASP A 58 -7.943 -2.731 0.938 1.00 0.00 O ATOM 0 H ASP A 58 -7.373 -2.972 5.621 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.166 -4.875 3.963 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.330 -3.829 3.435 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.618 -2.227 3.470 1.00 0.00 H new ATOM 802 N LEU A 59 -4.876 -1.903 3.484 1.00 0.00 N ATOM 803 CA LEU A 59 -3.697 -1.297 2.906 1.00 0.00 C ATOM 804 C LEU A 59 -2.533 -1.542 3.794 1.00 0.00 C ATOM 805 O LEU A 59 -1.406 -1.271 3.437 1.00 0.00 O ATOM 806 CB LEU A 59 -3.881 0.163 2.581 1.00 0.00 C ATOM 807 CG LEU A 59 -4.120 0.438 1.099 1.00 0.00 C ATOM 808 CD1 LEU A 59 -2.828 0.396 0.314 1.00 0.00 C ATOM 809 CD2 LEU A 59 -5.129 -0.542 0.501 1.00 0.00 C ATOM 0 H LEU A 59 -5.553 -1.252 3.882 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.508 -1.771 1.943 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.724 0.550 3.153 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.997 0.712 2.905 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.535 1.443 1.027 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.034 0.596 -0.737 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.143 1.151 0.699 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.374 -0.590 0.413 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.274 -0.316 -0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.754 -1.560 0.606 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.080 -0.450 1.026 1.00 0.00 H new ATOM 821 N ALA A 60 -2.847 -1.965 4.994 1.00 0.00 N ATOM 822 CA ALA A 60 -1.841 -2.328 5.956 1.00 0.00 C ATOM 823 C ALA A 60 -1.508 -3.781 5.699 1.00 0.00 C ATOM 824 O ALA A 60 -0.425 -4.256 6.000 1.00 0.00 O ATOM 825 CB ALA A 60 -2.351 -2.115 7.358 1.00 0.00 C ATOM 0 H ALA A 60 -3.805 -2.066 5.329 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.949 -1.710 5.856 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.577 -2.395 8.073 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.610 -1.065 7.495 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.235 -2.731 7.521 1.00 0.00 H new ATOM 831 N CYS A 61 -2.501 -4.465 5.138 1.00 0.00 N ATOM 832 CA CYS A 61 -2.389 -5.852 4.721 1.00 0.00 C ATOM 833 C CYS A 61 -1.588 -5.837 3.434 1.00 0.00 C ATOM 834 O CYS A 61 -0.760 -6.701 3.137 1.00 0.00 O ATOM 835 CB CYS A 61 -3.796 -6.403 4.476 1.00 0.00 C ATOM 836 SG CYS A 61 -3.963 -7.548 3.084 1.00 0.00 S ATOM 0 H CYS A 61 -3.420 -4.061 4.959 1.00 0.00 H new ATOM 0 HA CYS A 61 -1.904 -6.479 5.469 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -4.130 -6.910 5.381 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -4.471 -5.563 4.314 1.00 0.00 H new ATOM 841 N ALA A 62 -1.840 -4.771 2.699 1.00 0.00 N ATOM 842 CA ALA A 62 -1.199 -4.520 1.440 1.00 0.00 C ATOM 843 C ALA A 62 0.162 -3.883 1.681 1.00 0.00 C ATOM 844 O ALA A 62 1.148 -4.233 1.029 1.00 0.00 O ATOM 845 CB ALA A 62 -2.099 -3.640 0.596 1.00 0.00 C ATOM 0 H ALA A 62 -2.507 -4.049 2.971 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.034 -5.452 0.899 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -1.620 -3.444 -0.363 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.050 -4.146 0.430 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.275 -2.697 1.113 1.00 0.00 H new ATOM 851 N ALA A 63 0.201 -2.953 2.641 1.00 0.00 N ATOM 852 CA ALA A 63 1.439 -2.287 3.021 1.00 0.00 C ATOM 853 C ALA A 63 2.332 -3.305 3.666 1.00 0.00 C ATOM 854 O ALA A 63 3.553 -3.257 3.543 1.00 0.00 O ATOM 855 CB ALA A 63 1.188 -1.150 3.990 1.00 0.00 C ATOM 0 H ALA A 63 -0.617 -2.647 3.168 1.00 0.00 H new ATOM 0 HA ALA A 63 1.902 -1.862 2.130 1.00 0.00 H new ATOM 0 HB1 ALA A 63 2.135 -0.678 4.250 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.531 -0.414 3.526 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.716 -1.539 4.893 1.00 0.00 H new ATOM 861 N THR A 64 1.699 -4.244 4.355 1.00 0.00 N ATOM 862 CA THR A 64 2.442 -5.312 4.993 1.00 0.00 C ATOM 863 C THR A 64 2.877 -6.279 3.913 1.00 0.00 C ATOM 864 O THR A 64 3.322 -7.393 4.194 1.00 0.00 O ATOM 865 CB THR A 64 1.659 -6.069 6.108 1.00 0.00 C ATOM 866 OG1 THR A 64 2.585 -6.725 6.980 1.00 0.00 O ATOM 867 CG2 THR A 64 0.689 -7.111 5.546 1.00 0.00 C ATOM 0 H THR A 64 0.688 -4.286 4.483 1.00 0.00 H new ATOM 0 HA THR A 64 3.291 -4.860 5.505 1.00 0.00 H new ATOM 0 HB THR A 64 1.072 -5.325 6.647 1.00 0.00 H new ATOM 0 HG1 THR A 64 3.212 -7.259 6.449 1.00 0.00 H new ATOM 0 HG21 THR A 64 0.172 -7.607 6.367 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.040 -6.619 4.902 1.00 0.00 H new ATOM 0 HG23 THR A 64 1.244 -7.850 4.968 1.00 0.00 H new ATOM 875 N ALA A 65 2.751 -5.831 2.657 1.00 0.00 N ATOM 876 CA ALA A 65 3.105 -6.669 1.535 1.00 0.00 C ATOM 877 C ALA A 65 3.313 -5.914 0.208 1.00 0.00 C ATOM 878 O ALA A 65 4.362 -5.327 -0.005 1.00 0.00 O ATOM 879 CB ALA A 65 2.058 -7.733 1.385 1.00 0.00 C ATOM 0 H ALA A 65 2.410 -4.903 2.408 1.00 0.00 H new ATOM 0 HA ALA A 65 4.079 -7.104 1.757 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.310 -8.375 0.541 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.014 -8.331 2.295 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.088 -7.267 1.209 1.00 0.00 H new ATOM 885 N THR A 66 2.323 -5.948 -0.700 1.00 0.00 N ATOM 886 CA THR A 66 2.494 -5.328 -2.027 1.00 0.00 C ATOM 887 C THR A 66 2.255 -3.830 -2.052 1.00 0.00 C ATOM 888 O THR A 66 3.060 -3.109 -2.630 1.00 0.00 O ATOM 889 CB THR A 66 1.615 -5.957 -3.121 1.00 0.00 C ATOM 890 OG1 THR A 66 0.328 -5.351 -3.114 1.00 0.00 O ATOM 891 CG2 THR A 66 1.478 -7.455 -2.937 1.00 0.00 C ATOM 0 H THR A 66 1.415 -6.387 -0.546 1.00 0.00 H new ATOM 0 HA THR A 66 3.545 -5.524 -2.241 1.00 0.00 H new ATOM 0 HB THR A 66 2.100 -5.781 -4.081 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.063 -5.403 -4.011 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.850 -7.863 -3.729 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.464 -7.919 -2.980 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.022 -7.662 -1.969 1.00 0.00 H new ATOM 899 N SER A 67 1.164 -3.333 -1.456 1.00 0.00 N ATOM 900 CA SER A 67 0.949 -1.878 -1.479 1.00 0.00 C ATOM 901 C SER A 67 2.277 -1.279 -1.114 1.00 0.00 C ATOM 902 O SER A 67 2.648 -0.178 -1.520 1.00 0.00 O ATOM 903 CB SER A 67 -0.141 -1.411 -0.534 1.00 0.00 C ATOM 904 OG SER A 67 -0.241 -0.001 -0.566 1.00 0.00 O ATOM 0 H SER A 67 0.450 -3.881 -0.976 1.00 0.00 H new ATOM 0 HA SER A 67 0.601 -1.563 -2.463 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.094 -1.857 -0.817 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.079 -1.745 0.480 1.00 0.00 H new ATOM 0 HG SER A 67 -0.318 0.342 0.349 1.00 0.00 H new ATOM 910 N SER A 68 2.962 -2.072 -0.311 1.00 0.00 N ATOM 911 CA SER A 68 4.309 -1.856 0.068 1.00 0.00 C ATOM 912 C SER A 68 4.550 -0.793 1.101 1.00 0.00 C ATOM 913 O SER A 68 4.453 0.401 0.849 1.00 0.00 O ATOM 914 CB SER A 68 5.166 -1.627 -1.162 1.00 0.00 C ATOM 915 OG SER A 68 6.482 -1.252 -0.803 1.00 0.00 O ATOM 0 H SER A 68 2.560 -2.914 0.102 1.00 0.00 H new ATOM 0 HA SER A 68 4.603 -2.774 0.576 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.195 -2.536 -1.763 1.00 0.00 H new ATOM 0 HB3 SER A 68 4.719 -0.849 -1.781 1.00 0.00 H new ATOM 0 HG SER A 68 6.911 -1.988 -0.319 1.00 0.00 H new ATOM 921 N ALA A 69 4.881 -1.293 2.270 1.00 0.00 N ATOM 922 CA ALA A 69 5.252 -0.479 3.411 1.00 0.00 C ATOM 923 C ALA A 69 5.310 -1.340 4.658 1.00 0.00 C ATOM 924 O ALA A 69 4.797 -0.975 5.717 1.00 0.00 O ATOM 925 CB ALA A 69 4.306 0.693 3.604 1.00 0.00 C ATOM 0 H ALA A 69 4.901 -2.295 2.460 1.00 0.00 H new ATOM 0 HA ALA A 69 6.240 -0.059 3.220 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.621 1.276 4.469 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.323 1.324 2.716 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.294 0.321 3.766 1.00 0.00 H new ATOM 931 N THR A 70 5.944 -2.492 4.510 1.00 0.00 N ATOM 932 CA THR A 70 6.083 -3.443 5.599 1.00 0.00 C ATOM 933 C THR A 70 7.460 -3.346 6.227 1.00 0.00 C ATOM 934 O THR A 70 8.441 -3.845 5.678 1.00 0.00 O ATOM 935 CB THR A 70 5.849 -4.889 5.121 1.00 0.00 C ATOM 936 OG1 THR A 70 6.728 -5.783 5.814 1.00 0.00 O ATOM 937 CG2 THR A 70 6.066 -5.011 3.618 1.00 0.00 C ATOM 0 H THR A 70 6.375 -2.793 3.636 1.00 0.00 H new ATOM 0 HA THR A 70 5.325 -3.191 6.340 1.00 0.00 H new ATOM 0 HB THR A 70 4.815 -5.156 5.340 1.00 0.00 H new ATOM 0 HG1 THR A 70 7.004 -6.504 5.210 1.00 0.00 H new ATOM 0 HG21 THR A 70 5.894 -6.042 3.308 1.00 0.00 H new ATOM 0 HG22 THR A 70 5.370 -4.354 3.095 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.089 -4.724 3.374 1.00 0.00 H new ATOM 945 N GLU A 71 7.530 -2.702 7.383 1.00 0.00 N ATOM 946 CA GLU A 71 8.793 -2.541 8.079 1.00 0.00 C ATOM 947 C GLU A 71 9.289 -3.866 8.619 1.00 0.00 C ATOM 948 O GLU A 71 10.371 -3.945 9.203 1.00 0.00 O ATOM 949 CB GLU A 71 8.662 -1.517 9.204 1.00 0.00 C ATOM 950 CG GLU A 71 7.638 -1.840 10.273 1.00 0.00 C ATOM 951 CD GLU A 71 7.941 -3.117 11.035 1.00 0.00 C ATOM 952 OE1 GLU A 71 8.921 -3.127 11.808 1.00 0.00 O ATOM 953 OE2 GLU A 71 7.195 -4.104 10.860 1.00 0.00 O ATOM 0 H GLU A 71 6.728 -2.285 7.856 1.00 0.00 H new ATOM 0 HA GLU A 71 9.527 -2.173 7.362 1.00 0.00 H new ATOM 0 HB2 GLU A 71 9.635 -1.404 9.682 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.409 -0.552 8.764 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.585 -1.010 10.977 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.655 -1.927 9.809 1.00 0.00 H new ATOM 960 N ALA A 72 8.495 -4.906 8.423 1.00 0.00 N ATOM 961 CA ALA A 72 8.861 -6.220 8.904 1.00 0.00 C ATOM 962 C ALA A 72 9.666 -6.995 7.863 1.00 0.00 C ATOM 963 O ALA A 72 10.474 -7.856 8.212 1.00 0.00 O ATOM 964 CB ALA A 72 7.624 -7.002 9.316 1.00 0.00 C ATOM 0 H ALA A 72 7.599 -4.863 7.937 1.00 0.00 H new ATOM 0 HA ALA A 72 9.497 -6.087 9.779 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.920 -7.988 9.675 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.104 -6.467 10.111 1.00 0.00 H new ATOM 0 HB3 ALA A 72 6.961 -7.112 8.458 1.00 0.00 H new ATOM 970 N CYS A 73 9.448 -6.688 6.583 1.00 0.00 N ATOM 971 CA CYS A 73 10.168 -7.373 5.508 1.00 0.00 C ATOM 972 C CYS A 73 10.959 -6.396 4.677 1.00 0.00 C ATOM 973 O CYS A 73 11.653 -6.795 3.743 1.00 0.00 O ATOM 974 CB CYS A 73 9.209 -8.079 4.552 1.00 0.00 C ATOM 975 SG CYS A 73 7.803 -8.914 5.344 1.00 0.00 S ATOM 0 H CYS A 73 8.787 -5.978 6.268 1.00 0.00 H new ATOM 0 HA CYS A 73 10.824 -8.094 5.996 1.00 0.00 H new ATOM 0 HB2 CYS A 73 8.824 -7.347 3.843 1.00 0.00 H new ATOM 0 HB3 CYS A 73 9.771 -8.815 3.977 1.00 0.00 H new ATOM 980 N LYS A 74 10.873 -5.124 5.010 1.00 0.00 N ATOM 981 CA LYS A 74 11.527 -4.128 4.200 1.00 0.00 C ATOM 982 C LYS A 74 13.038 -4.174 4.217 1.00 0.00 C ATOM 983 O LYS A 74 13.661 -5.210 3.989 1.00 0.00 O ATOM 984 CB LYS A 74 11.045 -2.714 4.498 1.00 0.00 C ATOM 985 CG LYS A 74 11.305 -1.776 3.324 1.00 0.00 C ATOM 986 CD LYS A 74 12.389 -0.744 3.613 1.00 0.00 C ATOM 987 CE LYS A 74 12.699 0.140 2.418 1.00 0.00 C ATOM 988 NZ LYS A 74 13.525 1.319 2.802 1.00 0.00 N ATOM 0 H LYS A 74 10.367 -4.765 5.819 1.00 0.00 H new ATOM 0 HA LYS A 74 11.226 -4.400 3.188 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.978 -2.732 4.722 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.551 -2.336 5.386 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.595 -2.365 2.453 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.380 -1.260 3.067 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.074 -0.119 4.449 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.299 -1.258 3.924 1.00 0.00 H new ATOM 0 HE2 LYS A 74 13.226 -0.442 1.662 1.00 0.00 H new ATOM 0 HE3 LYS A 74 11.767 0.480 1.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 13.574 1.983 2.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 13.094 1.793 3.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 14.485 1.004 3.050 1.00 0.00 H new ATOM 1002 N GLY A 75 13.603 -3.023 4.495 1.00 0.00 N ATOM 1003 CA GLY A 75 15.013 -2.850 4.411 1.00 0.00 C ATOM 1004 C GLY A 75 15.346 -2.883 2.942 1.00 0.00 C ATOM 1005 O GLY A 75 16.480 -3.153 2.546 1.00 0.00 O ATOM 0 H GLY A 75 13.091 -2.190 4.784 1.00 0.00 H new ATOM 0 HA2 GLY A 75 15.318 -1.905 4.860 1.00 0.00 H new ATOM 0 HA3 GLY A 75 15.536 -3.641 4.948 1.00 0.00 H new ATOM 1009 N CYS A 76 14.310 -2.592 2.124 1.00 0.00 N ATOM 1010 CA CYS A 76 14.438 -2.648 0.687 1.00 0.00 C ATOM 1011 C CYS A 76 13.324 -1.917 -0.096 1.00 0.00 C ATOM 1012 O CYS A 76 13.588 -0.933 -0.782 1.00 0.00 O ATOM 1013 CB CYS A 76 14.390 -4.116 0.270 1.00 0.00 C ATOM 1014 SG CYS A 76 15.991 -4.980 0.240 1.00 0.00 S ATOM 0 H CYS A 76 13.384 -2.318 2.454 1.00 0.00 H new ATOM 0 HA CYS A 76 15.376 -2.147 0.447 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.724 -4.647 0.951 1.00 0.00 H new ATOM 0 HB3 CYS A 76 13.946 -4.178 -0.723 1.00 0.00 H new ATOM 1019 N LEU A 77 12.076 -2.388 0.042 1.00 0.00 N ATOM 1020 CA LEU A 77 10.956 -1.914 -0.803 1.00 0.00 C ATOM 1021 C LEU A 77 9.967 -0.871 -0.239 1.00 0.00 C ATOM 1022 O LEU A 77 9.186 -0.342 -1.025 1.00 0.00 O ATOM 1023 CB LEU A 77 10.147 -3.150 -1.192 1.00 0.00 C ATOM 1024 CG LEU A 77 8.974 -2.921 -2.150 1.00 0.00 C ATOM 1025 CD1 LEU A 77 9.462 -2.373 -3.472 1.00 0.00 C ATOM 1026 CD2 LEU A 77 8.204 -4.210 -2.368 1.00 0.00 C ATOM 0 H LEU A 77 11.811 -3.095 0.728 1.00 0.00 H new ATOM 0 HA LEU A 77 11.448 -1.375 -1.613 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.824 -3.872 -1.647 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.760 -3.606 -0.281 1.00 0.00 H new ATOM 0 HG LEU A 77 8.305 -2.188 -1.698 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.613 -2.218 -4.137 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.972 -1.424 -3.307 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.154 -3.082 -3.927 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.375 -4.027 -3.051 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.867 -4.962 -2.795 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.816 -4.568 -1.414 1.00 0.00 H new ATOM 1038 N TRP A 78 9.975 -0.556 1.056 1.00 0.00 N ATOM 1039 CA TRP A 78 8.981 0.402 1.619 1.00 0.00 C ATOM 1040 C TRP A 78 8.303 1.255 0.550 1.00 0.00 C ATOM 1041 O TRP A 78 7.085 1.076 0.343 1.00 0.00 O ATOM 1042 CB TRP A 78 9.579 1.326 2.689 1.00 0.00 C ATOM 1043 CG TRP A 78 9.489 0.767 4.069 1.00 0.00 C ATOM 1044 CD1 TRP A 78 8.644 -0.204 4.507 1.00 0.00 C ATOM 1045 CD2 TRP A 78 10.286 1.140 5.190 1.00 0.00 C ATOM 1046 NE1 TRP A 78 8.892 -0.488 5.821 1.00 0.00 N ATOM 1047 CE2 TRP A 78 9.894 0.332 6.262 1.00 0.00 C ATOM 1048 CE3 TRP A 78 11.302 2.069 5.384 1.00 0.00 C ATOM 1049 CZ2 TRP A 78 10.483 0.423 7.506 1.00 0.00 C ATOM 1050 CZ3 TRP A 78 11.886 2.166 6.634 1.00 0.00 C ATOM 1051 CH2 TRP A 78 11.471 1.334 7.683 1.00 0.00 C ATOM 1052 OXT TRP A 78 8.987 2.090 -0.070 1.00 0.00 O ATOM 0 H TRP A 78 10.637 -0.932 1.735 1.00 0.00 H new ATOM 0 HA TRP A 78 8.230 -0.234 2.087 1.00 0.00 H new ATOM 0 HB2 TRP A 78 10.625 1.518 2.450 1.00 0.00 H new ATOM 0 HB3 TRP A 78 9.064 2.286 2.659 1.00 0.00 H new ATOM 0 HD1 TRP A 78 7.886 -0.682 3.904 1.00 0.00 H new ATOM 0 HE1 TRP A 78 8.411 -1.193 6.379 1.00 0.00 H new ATOM 0 HE3 TRP A 78 11.629 2.703 4.573 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 10.165 -0.215 8.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 12.669 2.890 6.803 1.00 0.00 H new ATOM 0 HH2 TRP A 78 11.947 1.420 8.649 1.00 0.00 H new ATOM 1109 N SER B 4 6.755 10.239 1.778 1.00 0.00 N ATOM 1110 CA SER B 4 7.400 8.970 2.096 1.00 0.00 C ATOM 1111 C SER B 4 6.459 7.811 1.830 1.00 0.00 C ATOM 1112 O SER B 4 5.334 8.018 1.397 1.00 0.00 O ATOM 1113 CB SER B 4 7.830 8.945 3.558 1.00 0.00 C ATOM 1114 OG SER B 4 8.657 10.053 3.869 1.00 0.00 O ATOM 0 HA SER B 4 8.279 8.869 1.459 1.00 0.00 H new ATOM 0 HB2 SER B 4 6.948 8.955 4.199 1.00 0.00 H new ATOM 0 HB3 SER B 4 8.365 8.019 3.766 1.00 0.00 H new ATOM 0 HG SER B 4 8.490 10.776 3.229 1.00 0.00 H new ATOM 1120 N VAL B 5 6.922 6.593 2.081 1.00 0.00 N ATOM 1121 CA VAL B 5 6.085 5.420 1.871 1.00 0.00 C ATOM 1122 C VAL B 5 5.113 5.243 3.039 1.00 0.00 C ATOM 1123 O VAL B 5 3.904 5.140 2.837 1.00 0.00 O ATOM 1124 CB VAL B 5 6.919 4.127 1.658 1.00 0.00 C ATOM 1125 CG1 VAL B 5 8.383 4.458 1.393 1.00 0.00 C ATOM 1126 CG2 VAL B 5 6.772 3.160 2.831 1.00 0.00 C ATOM 0 H VAL B 5 7.861 6.393 2.426 1.00 0.00 H new ATOM 0 HA VAL B 5 5.519 5.590 0.955 1.00 0.00 H new ATOM 0 HB VAL B 5 6.524 3.624 0.775 1.00 0.00 H new ATOM 0 HG11 VAL B 5 8.944 3.535 1.247 1.00 0.00 H new ATOM 0 HG12 VAL B 5 8.460 5.075 0.498 1.00 0.00 H new ATOM 0 HG13 VAL B 5 8.793 5.001 2.244 1.00 0.00 H new ATOM 0 HG21 VAL B 5 7.370 2.268 2.644 1.00 0.00 H new ATOM 0 HG22 VAL B 5 7.116 3.643 3.746 1.00 0.00 H new ATOM 0 HG23 VAL B 5 5.725 2.878 2.941 1.00 0.00 H new ATOM 1136 N GLY B 6 5.649 5.218 4.260 1.00 0.00 N ATOM 1137 CA GLY B 6 4.810 5.056 5.431 1.00 0.00 C ATOM 1138 C GLY B 6 3.898 6.248 5.632 1.00 0.00 C ATOM 1139 O GLY B 6 2.708 6.093 5.919 1.00 0.00 O ATOM 0 H GLY B 6 6.646 5.307 4.455 1.00 0.00 H new ATOM 0 HA2 GLY B 6 4.210 4.152 5.327 1.00 0.00 H new ATOM 0 HA3 GLY B 6 5.437 4.924 6.313 1.00 0.00 H new ATOM 1143 N ASP B 7 4.457 7.444 5.472 1.00 0.00 N ATOM 1144 CA ASP B 7 3.683 8.670 5.613 1.00 0.00 C ATOM 1145 C ASP B 7 2.633 8.736 4.522 1.00 0.00 C ATOM 1146 O ASP B 7 1.526 9.233 4.737 1.00 0.00 O ATOM 1147 CB ASP B 7 4.594 9.894 5.530 1.00 0.00 C ATOM 1148 CG ASP B 7 5.534 9.999 6.716 1.00 0.00 C ATOM 1149 OD1 ASP B 7 5.138 10.603 7.735 1.00 0.00 O ATOM 1150 OD2 ASP B 7 6.666 9.479 6.624 1.00 0.00 O ATOM 0 H ASP B 7 5.441 7.589 5.245 1.00 0.00 H new ATOM 0 HA ASP B 7 3.196 8.667 6.588 1.00 0.00 H new ATOM 0 HB2 ASP B 7 5.178 9.847 4.611 1.00 0.00 H new ATOM 0 HB3 ASP B 7 3.983 10.795 5.474 1.00 0.00 H new ATOM 1155 N ALA B 8 2.993 8.236 3.344 1.00 0.00 N ATOM 1156 CA ALA B 8 2.076 8.213 2.219 1.00 0.00 C ATOM 1157 C ALA B 8 0.777 7.568 2.635 1.00 0.00 C ATOM 1158 O ALA B 8 -0.303 8.120 2.437 1.00 0.00 O ATOM 1159 CB ALA B 8 2.658 7.428 1.067 1.00 0.00 C ATOM 0 H ALA B 8 3.913 7.843 3.148 1.00 0.00 H new ATOM 0 HA ALA B 8 1.904 9.241 1.901 1.00 0.00 H new ATOM 0 HB1 ALA B 8 1.953 7.425 0.236 1.00 0.00 H new ATOM 0 HB2 ALA B 8 3.593 7.889 0.748 1.00 0.00 H new ATOM 0 HB3 ALA B 8 2.849 6.403 1.385 1.00 0.00 H new ATOM 1165 N PHE B 9 0.909 6.379 3.209 1.00 0.00 N ATOM 1166 CA PHE B 9 -0.229 5.625 3.671 1.00 0.00 C ATOM 1167 C PHE B 9 -1.142 6.501 4.516 1.00 0.00 C ATOM 1168 O PHE B 9 -2.300 6.664 4.181 1.00 0.00 O ATOM 1169 CB PHE B 9 0.241 4.397 4.435 1.00 0.00 C ATOM 1170 CG PHE B 9 0.427 3.226 3.529 1.00 0.00 C ATOM 1171 CD1 PHE B 9 -0.626 2.376 3.236 1.00 0.00 C ATOM 1172 CD2 PHE B 9 1.654 2.994 2.945 1.00 0.00 C ATOM 1173 CE1 PHE B 9 -0.449 1.317 2.370 1.00 0.00 C ATOM 1174 CE2 PHE B 9 1.835 1.936 2.088 1.00 0.00 C ATOM 1175 CZ PHE B 9 0.785 1.100 1.797 1.00 0.00 C ATOM 0 H PHE B 9 1.807 5.920 3.363 1.00 0.00 H new ATOM 0 HA PHE B 9 -0.809 5.286 2.813 1.00 0.00 H new ATOM 0 HB2 PHE B 9 1.181 4.620 4.941 1.00 0.00 H new ATOM 0 HB3 PHE B 9 -0.486 4.148 5.208 1.00 0.00 H new ATOM 0 HD1 PHE B 9 -1.592 2.543 3.688 1.00 0.00 H new ATOM 0 HD2 PHE B 9 2.482 3.652 3.164 1.00 0.00 H new ATOM 0 HE1 PHE B 9 -1.275 0.660 2.142 1.00 0.00 H new ATOM 0 HE2 PHE B 9 2.803 1.761 1.643 1.00 0.00 H new ATOM 0 HZ PHE B 9 0.927 0.272 1.118 1.00 0.00 H new ATOM 1185 N ASP B 10 -0.602 7.145 5.550 1.00 0.00 N ATOM 1186 CA ASP B 10 -1.427 7.984 6.425 1.00 0.00 C ATOM 1187 C ASP B 10 -2.376 8.837 5.591 1.00 0.00 C ATOM 1188 O ASP B 10 -3.586 8.897 5.847 1.00 0.00 O ATOM 1189 CB ASP B 10 -0.541 8.884 7.291 1.00 0.00 C ATOM 1190 CG ASP B 10 -1.348 9.826 8.161 1.00 0.00 C ATOM 1191 OD1 ASP B 10 -1.728 9.423 9.280 1.00 0.00 O ATOM 1192 OD2 ASP B 10 -1.600 10.969 7.723 1.00 0.00 O ATOM 0 H ASP B 10 0.386 7.105 5.802 1.00 0.00 H new ATOM 0 HA ASP B 10 -2.012 7.335 7.077 1.00 0.00 H new ATOM 0 HB2 ASP B 10 0.094 8.264 7.924 1.00 0.00 H new ATOM 0 HB3 ASP B 10 0.120 9.465 6.648 1.00 0.00 H new ATOM 1197 N LYS B 11 -1.815 9.458 4.568 1.00 0.00 N ATOM 1198 CA LYS B 11 -2.578 10.296 3.655 1.00 0.00 C ATOM 1199 C LYS B 11 -3.589 9.453 2.891 1.00 0.00 C ATOM 1200 O LYS B 11 -4.747 9.835 2.724 1.00 0.00 O ATOM 1201 CB LYS B 11 -1.640 10.981 2.676 1.00 0.00 C ATOM 1202 CG LYS B 11 -2.232 12.198 2.032 1.00 0.00 C ATOM 1203 CD LYS B 11 -1.582 13.382 2.645 1.00 0.00 C ATOM 1204 CE LYS B 11 -2.398 14.652 2.469 1.00 0.00 C ATOM 1205 NZ LYS B 11 -2.582 15.002 1.034 1.00 0.00 N ATOM 0 H LYS B 11 -0.821 9.397 4.346 1.00 0.00 H new ATOM 0 HA LYS B 11 -3.110 11.052 4.233 1.00 0.00 H new ATOM 0 HB2 LYS B 11 -0.726 11.264 3.198 1.00 0.00 H new ATOM 0 HB3 LYS B 11 -1.356 10.271 1.900 1.00 0.00 H new ATOM 0 HG2 LYS B 11 -2.065 12.183 0.955 1.00 0.00 H new ATOM 0 HG3 LYS B 11 -3.311 12.229 2.187 1.00 0.00 H new ATOM 0 HD2 LYS B 11 -1.428 13.198 3.708 1.00 0.00 H new ATOM 0 HD3 LYS B 11 -0.597 13.523 2.200 1.00 0.00 H new ATOM 0 HE2 LYS B 11 -3.373 14.524 2.939 1.00 0.00 H new ATOM 0 HE3 LYS B 11 -1.902 15.476 2.982 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 -3.070 15.917 0.960 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 -1.653 15.066 0.570 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 -3.152 14.267 0.568 1.00 0.00 H new ATOM 1219 N TYR B 12 -3.124 8.300 2.428 1.00 0.00 N ATOM 1220 CA TYR B 12 -3.949 7.370 1.679 1.00 0.00 C ATOM 1221 C TYR B 12 -5.117 6.880 2.491 1.00 0.00 C ATOM 1222 O TYR B 12 -6.259 7.058 2.114 1.00 0.00 O ATOM 1223 CB TYR B 12 -3.153 6.135 1.275 1.00 0.00 C ATOM 1224 CG TYR B 12 -3.880 5.287 0.249 1.00 0.00 C ATOM 1225 CD1 TYR B 12 -4.706 5.878 -0.707 1.00 0.00 C ATOM 1226 CD2 TYR B 12 -3.757 3.901 0.234 1.00 0.00 C ATOM 1227 CE1 TYR B 12 -5.381 5.118 -1.638 1.00 0.00 C ATOM 1228 CE2 TYR B 12 -4.433 3.139 -0.695 1.00 0.00 C ATOM 1229 CZ TYR B 12 -5.245 3.749 -1.627 1.00 0.00 C ATOM 1230 OH TYR B 12 -5.920 2.986 -2.552 1.00 0.00 O ATOM 0 H TYR B 12 -2.163 7.986 2.563 1.00 0.00 H new ATOM 0 HA TYR B 12 -4.297 7.918 0.804 1.00 0.00 H new ATOM 0 HB2 TYR B 12 -2.190 6.444 0.870 1.00 0.00 H new ATOM 0 HB3 TYR B 12 -2.948 5.533 2.160 1.00 0.00 H new ATOM 0 HD1 TYR B 12 -4.819 6.952 -0.718 1.00 0.00 H new ATOM 0 HD2 TYR B 12 -3.123 3.415 0.961 1.00 0.00 H new ATOM 0 HE1 TYR B 12 -6.013 5.595 -2.372 1.00 0.00 H new ATOM 0 HE2 TYR B 12 -4.326 2.064 -0.693 1.00 0.00 H new ATOM 0 HH TYR B 12 -6.876 3.197 -2.515 1.00 0.00 H new ATOM 1240 N ASN B 13 -4.794 6.279 3.619 1.00 0.00 N ATOM 1241 CA ASN B 13 -5.784 5.682 4.500 1.00 0.00 C ATOM 1242 C ASN B 13 -7.033 6.528 4.590 1.00 0.00 C ATOM 1243 O ASN B 13 -8.129 6.060 4.290 1.00 0.00 O ATOM 1244 CB ASN B 13 -5.220 5.507 5.902 1.00 0.00 C ATOM 1245 CG ASN B 13 -3.723 5.251 5.950 1.00 0.00 C ATOM 1246 OD1 ASN B 13 -3.070 5.576 6.940 1.00 0.00 O ATOM 1247 ND2 ASN B 13 -3.164 4.652 4.900 1.00 0.00 N ATOM 0 H ASN B 13 -3.835 6.189 3.954 1.00 0.00 H new ATOM 0 HA ASN B 13 -6.040 4.712 4.075 1.00 0.00 H new ATOM 0 HB2 ASN B 13 -5.442 6.402 6.484 1.00 0.00 H new ATOM 0 HB3 ASN B 13 -5.734 4.676 6.386 1.00 0.00 H new ATOM 0 HD21 ASN B 13 -2.164 4.449 4.901 1.00 0.00 H new ATOM 0 HD22 ASN B 13 -3.736 4.396 4.095 1.00 0.00 H new ATOM 1254 N GLU B 14 -6.874 7.764 5.009 1.00 0.00 N ATOM 1255 CA GLU B 14 -8.013 8.655 5.116 1.00 0.00 C ATOM 1256 C GLU B 14 -8.751 8.707 3.771 1.00 0.00 C ATOM 1257 O GLU B 14 -9.981 8.633 3.702 1.00 0.00 O ATOM 1258 CB GLU B 14 -7.527 10.049 5.538 1.00 0.00 C ATOM 1259 CG GLU B 14 -7.041 10.906 4.384 1.00 0.00 C ATOM 1260 CD GLU B 14 -8.098 11.868 3.877 1.00 0.00 C ATOM 1261 OE1 GLU B 14 -8.984 11.432 3.115 1.00 0.00 O ATOM 1262 OE2 GLU B 14 -8.038 13.060 4.243 1.00 0.00 O ATOM 0 H GLU B 14 -5.980 8.173 5.279 1.00 0.00 H new ATOM 0 HA GLU B 14 -8.708 8.289 5.871 1.00 0.00 H new ATOM 0 HB2 GLU B 14 -8.340 10.568 6.046 1.00 0.00 H new ATOM 0 HB3 GLU B 14 -6.719 9.938 6.261 1.00 0.00 H new ATOM 0 HG2 GLU B 14 -6.165 11.471 4.702 1.00 0.00 H new ATOM 0 HG3 GLU B 14 -6.724 10.259 3.566 1.00 0.00 H new ATOM 1269 N ALA B 15 -7.960 8.746 2.706 1.00 0.00 N ATOM 1270 CA ALA B 15 -8.449 8.845 1.339 1.00 0.00 C ATOM 1271 C ALA B 15 -9.081 7.565 0.811 1.00 0.00 C ATOM 1272 O ALA B 15 -10.072 7.616 0.082 1.00 0.00 O ATOM 1273 CB ALA B 15 -7.284 9.216 0.438 1.00 0.00 C ATOM 0 H ALA B 15 -6.943 8.709 2.771 1.00 0.00 H new ATOM 0 HA ALA B 15 -9.233 9.602 1.340 1.00 0.00 H new ATOM 0 HB1 ALA B 15 -7.631 9.295 -0.592 1.00 0.00 H new ATOM 0 HB2 ALA B 15 -6.869 10.173 0.755 1.00 0.00 H new ATOM 0 HB3 ALA B 15 -6.514 8.447 0.503 1.00 0.00 H new ATOM 1279 N VAL B 16 -8.518 6.418 1.166 1.00 0.00 N ATOM 1280 CA VAL B 16 -9.009 5.170 0.641 1.00 0.00 C ATOM 1281 C VAL B 16 -10.119 4.606 1.458 1.00 0.00 C ATOM 1282 O VAL B 16 -11.145 4.181 0.929 1.00 0.00 O ATOM 1283 CB VAL B 16 -7.885 4.144 0.467 1.00 0.00 C ATOM 1284 CG1 VAL B 16 -6.906 4.215 1.620 1.00 0.00 C ATOM 1285 CG2 VAL B 16 -8.442 2.739 0.297 1.00 0.00 C ATOM 0 H VAL B 16 -7.730 6.335 1.809 1.00 0.00 H new ATOM 0 HA VAL B 16 -9.415 5.394 -0.345 1.00 0.00 H new ATOM 0 HB VAL B 16 -7.343 4.392 -0.446 1.00 0.00 H new ATOM 0 HG11 VAL B 16 -6.117 3.477 1.474 1.00 0.00 H new ATOM 0 HG12 VAL B 16 -6.467 5.212 1.664 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -7.428 4.007 2.554 1.00 0.00 H new ATOM 0 HG21 VAL B 16 -7.620 2.034 0.176 1.00 0.00 H new ATOM 0 HG22 VAL B 16 -9.024 2.469 1.178 1.00 0.00 H new ATOM 0 HG23 VAL B 16 -9.082 2.705 -0.585 1.00 0.00 H new ATOM 1295 N ARG B 17 -9.912 4.591 2.743 1.00 0.00 N ATOM 1296 CA ARG B 17 -10.899 4.062 3.624 1.00 0.00 C ATOM 1297 C ARG B 17 -12.235 4.698 3.391 1.00 0.00 C ATOM 1298 O ARG B 17 -13.274 4.040 3.474 1.00 0.00 O ATOM 1299 CB ARG B 17 -10.432 4.170 5.069 1.00 0.00 C ATOM 1300 CG ARG B 17 -9.156 3.390 5.340 1.00 0.00 C ATOM 1301 CD ARG B 17 -9.001 2.199 4.409 1.00 0.00 C ATOM 1302 NE ARG B 17 -7.698 2.130 3.826 1.00 0.00 N ATOM 1303 CZ ARG B 17 -7.429 1.339 2.831 1.00 0.00 C ATOM 1304 NH1 ARG B 17 -8.235 0.339 2.531 1.00 0.00 N ATOM 1305 NH2 ARG B 17 -6.335 1.511 2.164 1.00 0.00 N ATOM 0 H ARG B 17 -9.069 4.940 3.199 1.00 0.00 H new ATOM 0 HA ARG B 17 -11.031 3.001 3.410 1.00 0.00 H new ATOM 0 HB2 ARG B 17 -10.269 5.219 5.315 1.00 0.00 H new ATOM 0 HB3 ARG B 17 -11.220 3.807 5.728 1.00 0.00 H new ATOM 0 HG2 ARG B 17 -8.297 4.051 5.227 1.00 0.00 H new ATOM 0 HG3 ARG B 17 -9.157 3.043 6.373 1.00 0.00 H new ATOM 0 HD2 ARG B 17 -9.198 1.281 4.962 1.00 0.00 H new ATOM 0 HD3 ARG B 17 -9.748 2.260 3.617 1.00 0.00 H new ATOM 0 HE ARG B 17 -6.956 2.720 4.203 1.00 0.00 H new ATOM 0 HH11 ARG B 17 -9.079 0.181 3.082 1.00 0.00 H new ATOM 0 HH12 ARG B 17 -8.015 -0.276 1.748 1.00 0.00 H new ATOM 0 HH21 ARG B 17 -5.694 2.261 2.421 1.00 0.00 H new ATOM 0 HH22 ARG B 17 -6.113 0.896 1.381 1.00 0.00 H new ATOM 1319 N VAL B 18 -12.227 5.957 3.058 1.00 0.00 N ATOM 1320 CA VAL B 18 -13.467 6.610 2.792 1.00 0.00 C ATOM 1321 C VAL B 18 -13.971 6.219 1.412 1.00 0.00 C ATOM 1322 O VAL B 18 -15.113 5.827 1.262 1.00 0.00 O ATOM 1323 CB VAL B 18 -13.320 8.136 2.883 1.00 0.00 C ATOM 1324 CG1 VAL B 18 -12.801 8.521 4.259 1.00 0.00 C ATOM 1325 CG2 VAL B 18 -12.395 8.653 1.787 1.00 0.00 C ATOM 0 H VAL B 18 -11.393 6.538 2.967 1.00 0.00 H new ATOM 0 HA VAL B 18 -14.188 6.293 3.545 1.00 0.00 H new ATOM 0 HB VAL B 18 -14.297 8.596 2.737 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -12.698 9.604 4.319 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -13.502 8.180 5.021 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -11.830 8.055 4.425 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -12.304 9.736 1.869 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -11.411 8.197 1.896 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -12.808 8.396 0.811 1.00 0.00 H new ATOM 1335 N PHE B 19 -13.072 6.192 0.433 1.00 0.00 N ATOM 1336 CA PHE B 19 -13.468 5.936 -0.943 1.00 0.00 C ATOM 1337 C PHE B 19 -14.122 4.566 -1.146 1.00 0.00 C ATOM 1338 O PHE B 19 -15.176 4.460 -1.797 1.00 0.00 O ATOM 1339 CB PHE B 19 -12.273 6.226 -1.905 1.00 0.00 C ATOM 1340 CG PHE B 19 -11.305 5.107 -2.265 1.00 0.00 C ATOM 1341 CD1 PHE B 19 -11.718 3.822 -2.552 1.00 0.00 C ATOM 1342 CD2 PHE B 19 -9.952 5.383 -2.337 1.00 0.00 C ATOM 1343 CE1 PHE B 19 -10.808 2.836 -2.882 1.00 0.00 C ATOM 1344 CE2 PHE B 19 -9.036 4.402 -2.666 1.00 0.00 C ATOM 1345 CZ PHE B 19 -9.466 3.125 -2.934 1.00 0.00 C ATOM 0 H PHE B 19 -12.072 6.343 0.567 1.00 0.00 H new ATOM 0 HA PHE B 19 -14.266 6.632 -1.201 1.00 0.00 H new ATOM 0 HB2 PHE B 19 -12.690 6.608 -2.837 1.00 0.00 H new ATOM 0 HB3 PHE B 19 -11.688 7.033 -1.464 1.00 0.00 H new ATOM 0 HD1 PHE B 19 -12.771 3.583 -2.518 1.00 0.00 H new ATOM 0 HD2 PHE B 19 -9.604 6.385 -2.132 1.00 0.00 H new ATOM 0 HE1 PHE B 19 -11.153 1.836 -3.100 1.00 0.00 H new ATOM 0 HE2 PHE B 19 -7.983 4.639 -2.712 1.00 0.00 H new ATOM 0 HZ PHE B 19 -8.753 2.353 -3.184 1.00 0.00 H new ATOM 1355 N THR B 20 -13.575 3.518 -0.550 1.00 0.00 N ATOM 1356 CA THR B 20 -14.147 2.208 -0.778 1.00 0.00 C ATOM 1357 C THR B 20 -15.390 1.974 0.060 1.00 0.00 C ATOM 1358 O THR B 20 -16.415 1.550 -0.476 1.00 0.00 O ATOM 1359 CB THR B 20 -13.126 1.088 -0.588 1.00 0.00 C ATOM 1360 OG1 THR B 20 -12.385 0.922 -1.787 1.00 0.00 O ATOM 1361 CG2 THR B 20 -13.806 -0.214 -0.220 1.00 0.00 C ATOM 0 H THR B 20 -12.767 3.547 0.072 1.00 0.00 H new ATOM 0 HA THR B 20 -14.453 2.186 -1.824 1.00 0.00 H new ATOM 0 HB THR B 20 -12.457 1.362 0.228 1.00 0.00 H new ATOM 0 HG1 THR B 20 -12.938 0.463 -2.453 1.00 0.00 H new ATOM 0 HG21 THR B 20 -13.055 -0.993 -0.091 1.00 0.00 H new ATOM 0 HG22 THR B 20 -14.359 -0.085 0.711 1.00 0.00 H new ATOM 0 HG23 THR B 20 -14.495 -0.502 -1.014 1.00 0.00 H new ATOM 1369 N GLN B 21 -15.329 2.230 1.366 1.00 0.00 N ATOM 1370 CA GLN B 21 -16.494 2.053 2.177 1.00 0.00 C ATOM 1371 C GLN B 21 -17.574 2.990 1.697 1.00 0.00 C ATOM 1372 O GLN B 21 -18.747 2.795 1.982 1.00 0.00 O ATOM 1373 CB GLN B 21 -16.163 2.264 3.640 1.00 0.00 C ATOM 1374 CG GLN B 21 -16.501 1.057 4.500 1.00 0.00 C ATOM 1375 CD GLN B 21 -16.428 -0.276 3.769 1.00 0.00 C ATOM 1376 OE1 GLN B 21 -17.238 -1.168 4.014 1.00 0.00 O ATOM 1377 NE2 GLN B 21 -15.441 -0.430 2.887 1.00 0.00 N ATOM 0 H GLN B 21 -14.497 2.553 1.860 1.00 0.00 H new ATOM 0 HA GLN B 21 -16.860 1.031 2.084 1.00 0.00 H new ATOM 0 HB2 GLN B 21 -15.101 2.489 3.739 1.00 0.00 H new ATOM 0 HB3 GLN B 21 -16.709 3.132 4.010 1.00 0.00 H new ATOM 0 HG2 GLN B 21 -15.819 1.029 5.350 1.00 0.00 H new ATOM 0 HG3 GLN B 21 -17.506 1.183 4.902 1.00 0.00 H new ATOM 0 HE21 GLN B 21 -14.789 0.335 2.712 1.00 0.00 H new ATOM 0 HE22 GLN B 21 -15.337 -1.313 2.387 1.00 0.00 H new ATOM 1386 N LEU B 22 -17.178 4.021 0.966 1.00 0.00 N ATOM 1387 CA LEU B 22 -18.159 4.918 0.403 1.00 0.00 C ATOM 1388 C LEU B 22 -19.090 4.076 -0.441 1.00 0.00 C ATOM 1389 O LEU B 22 -20.306 4.243 -0.398 1.00 0.00 O ATOM 1390 CB LEU B 22 -17.516 6.020 -0.446 1.00 0.00 C ATOM 1391 CG LEU B 22 -17.067 7.292 0.303 1.00 0.00 C ATOM 1392 CD1 LEU B 22 -17.684 8.518 -0.337 1.00 0.00 C ATOM 1393 CD2 LEU B 22 -17.412 7.244 1.793 1.00 0.00 C ATOM 0 H LEU B 22 -16.206 4.249 0.756 1.00 0.00 H new ATOM 0 HA LEU B 22 -18.695 5.427 1.204 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -16.648 5.598 -0.952 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -18.226 6.312 -1.220 1.00 0.00 H new ATOM 0 HG LEU B 22 -15.981 7.346 0.226 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -17.361 9.410 0.199 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -17.366 8.585 -1.377 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -18.771 8.443 -0.294 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -17.075 8.162 2.274 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -18.491 7.146 1.914 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -16.916 6.390 2.254 1.00 0.00 H new ATOM 1405 N SER B 23 -18.501 3.150 -1.201 1.00 0.00 N ATOM 1406 CA SER B 23 -19.301 2.249 -2.025 1.00 0.00 C ATOM 1407 C SER B 23 -20.011 1.187 -1.169 1.00 0.00 C ATOM 1408 O SER B 23 -21.215 0.975 -1.313 1.00 0.00 O ATOM 1409 CB SER B 23 -18.443 1.579 -3.105 1.00 0.00 C ATOM 1410 OG SER B 23 -18.177 2.480 -4.166 1.00 0.00 O ATOM 0 H SER B 23 -17.493 3.007 -1.262 1.00 0.00 H new ATOM 0 HA SER B 23 -20.064 2.852 -2.517 1.00 0.00 H new ATOM 0 HB2 SER B 23 -17.505 1.236 -2.669 1.00 0.00 H new ATOM 0 HB3 SER B 23 -18.957 0.698 -3.490 1.00 0.00 H new ATOM 0 HG SER B 23 -17.229 2.727 -4.155 1.00 0.00 H new ATOM 1416 N SER B 24 -19.272 0.520 -0.279 1.00 0.00 N ATOM 1417 CA SER B 24 -19.858 -0.515 0.578 1.00 0.00 C ATOM 1418 C SER B 24 -20.884 0.055 1.538 1.00 0.00 C ATOM 1419 O SER B 24 -22.049 -0.342 1.519 1.00 0.00 O ATOM 1420 CB SER B 24 -18.782 -1.235 1.375 1.00 0.00 C ATOM 1421 OG SER B 24 -19.338 -1.918 2.484 1.00 0.00 O ATOM 0 H SER B 24 -18.275 0.676 -0.133 1.00 0.00 H new ATOM 0 HA SER B 24 -20.358 -1.220 -0.086 1.00 0.00 H new ATOM 0 HB2 SER B 24 -18.262 -1.944 0.731 1.00 0.00 H new ATOM 0 HB3 SER B 24 -18.040 -0.516 1.722 1.00 0.00 H new ATOM 0 HG SER B 24 -18.755 -1.805 3.264 1.00 0.00 H new ATOM 1427 N ALA B 25 -20.438 0.969 2.391 1.00 0.00 N ATOM 1428 CA ALA B 25 -21.318 1.598 3.358 1.00 0.00 C ATOM 1429 C ALA B 25 -22.573 2.065 2.652 1.00 0.00 C ATOM 1430 O ALA B 25 -23.670 2.025 3.206 1.00 0.00 O ATOM 1431 CB ALA B 25 -20.613 2.765 4.047 1.00 0.00 C ATOM 0 H ALA B 25 -19.470 1.289 2.430 1.00 0.00 H new ATOM 0 HA ALA B 25 -21.588 0.876 4.129 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -21.289 3.224 4.768 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -19.725 2.400 4.563 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -20.321 3.505 3.302 1.00 0.00 H new ATOM 1437 N ALA B 26 -22.399 2.473 1.398 1.00 0.00 N ATOM 1438 CA ALA B 26 -23.510 2.945 0.586 1.00 0.00 C ATOM 1439 C ALA B 26 -24.576 1.869 0.410 1.00 0.00 C ATOM 1440 O ALA B 26 -25.768 2.169 0.463 1.00 0.00 O ATOM 1441 CB ALA B 26 -23.020 3.427 -0.772 1.00 0.00 C ATOM 0 H ALA B 26 -21.496 2.485 0.924 1.00 0.00 H new ATOM 0 HA ALA B 26 -23.964 3.783 1.114 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -23.868 3.775 -1.362 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -22.313 4.245 -0.634 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -22.528 2.606 -1.294 1.00 0.00 H new ATOM 1447 N ASN B 27 -24.164 0.615 0.199 1.00 0.00 N ATOM 1448 CA ASN B 27 -25.148 -0.449 0.010 1.00 0.00 C ATOM 1449 C ASN B 27 -24.603 -1.873 0.188 1.00 0.00 C ATOM 1450 O ASN B 27 -25.303 -2.725 0.736 1.00 0.00 O ATOM 1451 CB ASN B 27 -25.785 -0.324 -1.376 1.00 0.00 C ATOM 1452 CG ASN B 27 -24.804 0.128 -2.448 1.00 0.00 C ATOM 1453 OD1 ASN B 27 -25.206 0.693 -3.466 1.00 0.00 O ATOM 1454 ND2 ASN B 27 -23.513 -0.103 -2.225 1.00 0.00 N ATOM 0 H ASN B 27 -23.189 0.320 0.156 1.00 0.00 H new ATOM 0 HA ASN B 27 -25.883 -0.307 0.803 1.00 0.00 H new ATOM 0 HB2 ASN B 27 -26.208 -1.287 -1.662 1.00 0.00 H new ATOM 0 HB3 ASN B 27 -26.611 0.385 -1.326 1.00 0.00 H new ATOM 0 HD21 ASN B 27 -22.817 0.191 -2.910 1.00 0.00 H new ATOM 0 HD22 ASN B 27 -23.220 -0.574 -1.369 1.00 0.00 H new ATOM 1461 N CYS B 28 -23.373 -2.148 -0.252 1.00 0.00 N ATOM 1462 CA CYS B 28 -22.842 -3.510 -0.159 1.00 0.00 C ATOM 1463 C CYS B 28 -21.385 -3.601 -0.601 1.00 0.00 C ATOM 1464 O CYS B 28 -20.857 -2.687 -1.203 1.00 0.00 O ATOM 1465 CB CYS B 28 -23.703 -4.422 -1.043 1.00 0.00 C ATOM 1466 SG CYS B 28 -22.805 -5.744 -1.910 1.00 0.00 S ATOM 0 H CYS B 28 -22.739 -1.465 -0.666 1.00 0.00 H new ATOM 0 HA CYS B 28 -22.878 -3.820 0.885 1.00 0.00 H new ATOM 0 HB2 CYS B 28 -24.475 -4.877 -0.422 1.00 0.00 H new ATOM 0 HB3 CYS B 28 -24.212 -3.806 -1.784 1.00 0.00 H new ATOM 1471 N ASP B 29 -20.745 -4.720 -0.276 1.00 0.00 N ATOM 1472 CA ASP B 29 -19.356 -4.972 -0.668 1.00 0.00 C ATOM 1473 C ASP B 29 -19.281 -6.170 -1.618 1.00 0.00 C ATOM 1474 O ASP B 29 -20.100 -7.083 -1.518 1.00 0.00 O ATOM 1475 CB ASP B 29 -18.497 -5.248 0.569 1.00 0.00 C ATOM 1476 CG ASP B 29 -19.308 -5.803 1.724 1.00 0.00 C ATOM 1477 OD1 ASP B 29 -19.531 -7.032 1.757 1.00 0.00 O ATOM 1478 OD2 ASP B 29 -19.718 -5.010 2.596 1.00 0.00 O ATOM 0 H ASP B 29 -21.168 -5.475 0.263 1.00 0.00 H new ATOM 0 HA ASP B 29 -18.977 -4.086 -1.178 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -17.708 -5.954 0.310 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -18.008 -4.325 0.882 1.00 0.00 H new ATOM 1483 N TRP B 30 -18.307 -6.183 -2.539 1.00 0.00 N ATOM 1484 CA TRP B 30 -18.191 -7.314 -3.457 1.00 0.00 C ATOM 1485 C TRP B 30 -17.786 -8.546 -2.656 1.00 0.00 C ATOM 1486 O TRP B 30 -18.369 -9.620 -2.812 1.00 0.00 O ATOM 1487 CB TRP B 30 -17.210 -7.042 -4.627 1.00 0.00 C ATOM 1488 CG TRP B 30 -15.876 -6.526 -4.241 1.00 0.00 C ATOM 1489 CD1 TRP B 30 -14.893 -7.138 -3.524 1.00 0.00 C ATOM 1490 CD2 TRP B 30 -15.373 -5.263 -4.622 1.00 0.00 C ATOM 1491 NE1 TRP B 30 -13.823 -6.287 -3.392 1.00 0.00 N ATOM 1492 CE2 TRP B 30 -14.107 -5.128 -4.066 1.00 0.00 C ATOM 1493 CE3 TRP B 30 -15.900 -4.220 -5.372 1.00 0.00 C ATOM 1494 CZ2 TRP B 30 -13.358 -3.983 -4.235 1.00 0.00 C ATOM 1495 CZ3 TRP B 30 -15.158 -3.084 -5.547 1.00 0.00 C ATOM 1496 CH2 TRP B 30 -13.900 -2.968 -4.979 1.00 0.00 C ATOM 0 H TRP B 30 -17.611 -5.447 -2.664 1.00 0.00 H new ATOM 0 HA TRP B 30 -19.159 -7.481 -3.929 1.00 0.00 H new ATOM 0 HB2 TRP B 30 -17.073 -7.968 -5.185 1.00 0.00 H new ATOM 0 HB3 TRP B 30 -17.673 -6.326 -5.306 1.00 0.00 H new ATOM 0 HD1 TRP B 30 -14.947 -8.139 -3.121 1.00 0.00 H new ATOM 0 HE1 TRP B 30 -12.963 -6.484 -2.880 1.00 0.00 H new ATOM 0 HE3 TRP B 30 -16.883 -4.304 -5.811 1.00 0.00 H new ATOM 0 HZ2 TRP B 30 -12.376 -3.889 -3.795 1.00 0.00 H new ATOM 0 HZ3 TRP B 30 -15.557 -2.270 -6.134 1.00 0.00 H new ATOM 0 HH2 TRP B 30 -13.335 -2.059 -5.125 1.00 0.00 H new ATOM 1507 N ALA B 31 -16.798 -8.350 -1.777 1.00 0.00 N ATOM 1508 CA ALA B 31 -16.292 -9.391 -0.885 1.00 0.00 C ATOM 1509 C ALA B 31 -15.510 -10.465 -1.632 1.00 0.00 C ATOM 1510 O ALA B 31 -14.458 -10.921 -1.183 1.00 0.00 O ATOM 1511 CB ALA B 31 -17.444 -10.009 -0.116 1.00 0.00 C ATOM 0 H ALA B 31 -16.324 -7.454 -1.666 1.00 0.00 H new ATOM 0 HA ALA B 31 -15.597 -8.922 -0.189 1.00 0.00 H new ATOM 0 HB1 ALA B 31 -17.063 -10.785 0.548 1.00 0.00 H new ATOM 0 HB2 ALA B 31 -17.943 -9.239 0.473 1.00 0.00 H new ATOM 0 HB3 ALA B 31 -18.155 -10.448 -0.816 1.00 0.00 H new ATOM 1517 N ALA B 32 -16.033 -10.868 -2.771 1.00 0.00 N ATOM 1518 CA ALA B 32 -15.397 -11.893 -3.582 1.00 0.00 C ATOM 1519 C ALA B 32 -14.119 -11.372 -4.229 1.00 0.00 C ATOM 1520 O ALA B 32 -13.089 -12.051 -4.239 1.00 0.00 O ATOM 1521 CB ALA B 32 -16.361 -12.395 -4.646 1.00 0.00 C ATOM 0 H ALA B 32 -16.901 -10.501 -3.160 1.00 0.00 H new ATOM 0 HA ALA B 32 -15.128 -12.722 -2.927 1.00 0.00 H new ATOM 0 HB1 ALA B 32 -15.873 -13.162 -5.247 1.00 0.00 H new ATOM 0 HB2 ALA B 32 -17.244 -12.817 -4.167 1.00 0.00 H new ATOM 0 HB3 ALA B 32 -16.658 -11.566 -5.288 1.00 0.00 H new ATOM 1527 N CYS B 33 -14.186 -10.156 -4.757 1.00 0.00 N ATOM 1528 CA CYS B 33 -13.039 -9.559 -5.422 1.00 0.00 C ATOM 1529 C CYS B 33 -11.900 -9.281 -4.460 1.00 0.00 C ATOM 1530 O CYS B 33 -10.755 -9.579 -4.755 1.00 0.00 O ATOM 1531 CB CYS B 33 -13.429 -8.274 -6.133 1.00 0.00 C ATOM 1532 SG CYS B 33 -12.910 -8.230 -7.884 1.00 0.00 S ATOM 0 H CYS B 33 -15.019 -9.568 -4.737 1.00 0.00 H new ATOM 0 HA CYS B 33 -12.693 -10.287 -6.156 1.00 0.00 H new ATOM 0 HB2 CYS B 33 -14.511 -8.151 -6.079 1.00 0.00 H new ATOM 0 HB3 CYS B 33 -12.985 -7.428 -5.608 1.00 0.00 H new ATOM 1537 N LEU B 34 -12.192 -8.704 -3.314 1.00 0.00 N ATOM 1538 CA LEU B 34 -11.130 -8.417 -2.373 1.00 0.00 C ATOM 1539 C LEU B 34 -10.337 -9.679 -2.079 1.00 0.00 C ATOM 1540 O LEU B 34 -9.110 -9.649 -2.019 1.00 0.00 O ATOM 1541 CB LEU B 34 -11.672 -7.769 -1.111 1.00 0.00 C ATOM 1542 CG LEU B 34 -13.042 -8.264 -0.686 1.00 0.00 C ATOM 1543 CD1 LEU B 34 -12.905 -9.267 0.440 1.00 0.00 C ATOM 1544 CD2 LEU B 34 -13.917 -7.099 -0.275 1.00 0.00 C ATOM 0 H LEU B 34 -13.128 -8.431 -3.016 1.00 0.00 H new ATOM 0 HA LEU B 34 -10.448 -7.695 -2.822 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -10.968 -7.944 -0.297 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -11.721 -6.691 -1.264 1.00 0.00 H new ATOM 0 HG LEU B 34 -13.519 -8.762 -1.530 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -13.893 -9.617 0.738 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -12.307 -10.114 0.102 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -12.415 -8.794 1.291 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -14.897 -7.469 0.027 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -13.454 -6.573 0.560 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -14.031 -6.415 -1.116 1.00 0.00 H new ATOM 1556 N SER B 35 -11.033 -10.795 -1.917 1.00 0.00 N ATOM 1557 CA SER B 35 -10.355 -12.062 -1.694 1.00 0.00 C ATOM 1558 C SER B 35 -9.329 -12.264 -2.804 1.00 0.00 C ATOM 1559 O SER B 35 -8.251 -12.819 -2.593 1.00 0.00 O ATOM 1560 CB SER B 35 -11.361 -13.208 -1.712 1.00 0.00 C ATOM 1561 OG SER B 35 -10.731 -14.448 -1.444 1.00 0.00 O ATOM 0 H SER B 35 -12.051 -10.849 -1.935 1.00 0.00 H new ATOM 0 HA SER B 35 -9.862 -12.048 -0.722 1.00 0.00 H new ATOM 0 HB2 SER B 35 -12.138 -13.024 -0.970 1.00 0.00 H new ATOM 0 HB3 SER B 35 -11.852 -13.249 -2.684 1.00 0.00 H new ATOM 0 HG SER B 35 -11.399 -15.165 -1.460 1.00 0.00 H new ATOM 1567 N SER B 36 -9.703 -11.793 -3.991 1.00 0.00 N ATOM 1568 CA SER B 36 -8.860 -11.880 -5.190 1.00 0.00 C ATOM 1569 C SER B 36 -7.464 -11.277 -4.969 1.00 0.00 C ATOM 1570 O SER B 36 -6.469 -11.853 -5.406 1.00 0.00 O ATOM 1571 CB SER B 36 -9.553 -11.189 -6.370 1.00 0.00 C ATOM 1572 OG SER B 36 -9.197 -11.793 -7.601 1.00 0.00 O ATOM 0 H SER B 36 -10.601 -11.338 -4.153 1.00 0.00 H new ATOM 0 HA SER B 36 -8.722 -12.938 -5.414 1.00 0.00 H new ATOM 0 HB2 SER B 36 -10.634 -11.236 -6.238 1.00 0.00 H new ATOM 0 HB3 SER B 36 -9.280 -10.134 -6.388 1.00 0.00 H new ATOM 0 HG SER B 36 -9.655 -11.333 -8.335 1.00 0.00 H new ATOM 1578 N LEU B 37 -7.376 -10.111 -4.317 1.00 0.00 N ATOM 1579 CA LEU B 37 -6.060 -9.504 -4.057 1.00 0.00 C ATOM 1580 C LEU B 37 -5.329 -10.378 -3.067 1.00 0.00 C ATOM 1581 O LEU B 37 -4.166 -10.728 -3.256 1.00 0.00 O ATOM 1582 CB LEU B 37 -6.146 -8.070 -3.509 1.00 0.00 C ATOM 1583 CG LEU B 37 -4.890 -7.595 -2.777 1.00 0.00 C ATOM 1584 CD1 LEU B 37 -3.710 -7.521 -3.721 1.00 0.00 C ATOM 1585 CD2 LEU B 37 -5.111 -6.260 -2.108 1.00 0.00 C ATOM 0 H LEU B 37 -8.174 -9.580 -3.968 1.00 0.00 H new ATOM 0 HA LEU B 37 -5.531 -9.437 -5.007 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -6.348 -7.390 -4.336 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -6.995 -8.005 -2.828 1.00 0.00 H new ATOM 0 HG LEU B 37 -4.669 -8.328 -2.001 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -2.829 -7.181 -3.176 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -3.518 -8.508 -4.141 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -3.932 -6.821 -4.526 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -4.198 -5.953 -1.598 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -5.374 -5.516 -2.859 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -5.921 -6.346 -1.383 1.00 0.00 H new ATOM 1597 N SER B 38 -6.039 -10.728 -2.002 1.00 0.00 N ATOM 1598 CA SER B 38 -5.497 -11.598 -0.976 1.00 0.00 C ATOM 1599 C SER B 38 -5.320 -13.005 -1.536 1.00 0.00 C ATOM 1600 O SER B 38 -4.935 -13.932 -0.829 1.00 0.00 O ATOM 1601 CB SER B 38 -6.420 -11.611 0.248 1.00 0.00 C ATOM 1602 OG SER B 38 -6.546 -12.914 0.790 1.00 0.00 O ATOM 0 H SER B 38 -6.996 -10.419 -1.829 1.00 0.00 H new ATOM 0 HA SER B 38 -4.523 -11.222 -0.663 1.00 0.00 H new ATOM 0 HB2 SER B 38 -6.027 -10.936 1.008 1.00 0.00 H new ATOM 0 HB3 SER B 38 -7.404 -11.236 -0.033 1.00 0.00 H new ATOM 0 HG SER B 38 -5.764 -13.449 0.540 1.00 0.00 H new ATOM 1608 N ALA B 39 -5.609 -13.145 -2.825 1.00 0.00 N ATOM 1609 CA ALA B 39 -5.480 -14.420 -3.516 1.00 0.00 C ATOM 1610 C ALA B 39 -4.138 -14.495 -4.232 1.00 0.00 C ATOM 1611 O ALA B 39 -3.338 -15.384 -3.947 1.00 0.00 O ATOM 1612 CB ALA B 39 -6.626 -14.613 -4.499 1.00 0.00 C ATOM 0 H ALA B 39 -5.937 -12.382 -3.417 1.00 0.00 H new ATOM 0 HA ALA B 39 -5.526 -15.223 -2.780 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -6.513 -15.571 -5.006 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -7.574 -14.597 -3.961 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -6.613 -13.809 -5.235 1.00 0.00 H new ATOM 1618 N SER B 40 -3.921 -13.546 -5.162 1.00 0.00 N ATOM 1619 CA SER B 40 -2.675 -13.432 -5.941 1.00 0.00 C ATOM 1620 C SER B 40 -2.940 -12.917 -7.350 1.00 0.00 C ATOM 1621 O SER B 40 -3.655 -13.547 -8.129 1.00 0.00 O ATOM 1622 CB SER B 40 -1.925 -14.764 -6.047 1.00 0.00 C ATOM 1623 OG SER B 40 -0.779 -14.638 -6.872 1.00 0.00 O ATOM 0 H SER B 40 -4.611 -12.832 -5.395 1.00 0.00 H new ATOM 0 HA SER B 40 -2.055 -12.720 -5.396 1.00 0.00 H new ATOM 0 HB2 SER B 40 -1.627 -15.098 -5.053 1.00 0.00 H new ATOM 0 HB3 SER B 40 -2.588 -15.527 -6.454 1.00 0.00 H new ATOM 0 HG SER B 40 -0.122 -14.059 -6.433 1.00 0.00 H new ATOM 1629 N SER B 41 -2.359 -11.766 -7.664 1.00 0.00 N ATOM 1630 CA SER B 41 -2.486 -11.183 -8.990 1.00 0.00 C ATOM 1631 C SER B 41 -1.110 -11.069 -9.607 1.00 0.00 C ATOM 1632 O SER B 41 -0.185 -10.550 -8.984 1.00 0.00 O ATOM 1633 CB SER B 41 -3.143 -9.799 -8.952 1.00 0.00 C ATOM 1634 OG SER B 41 -4.156 -9.691 -9.939 1.00 0.00 O ATOM 0 H SER B 41 -1.794 -11.218 -7.015 1.00 0.00 H new ATOM 0 HA SER B 41 -3.126 -11.834 -9.586 1.00 0.00 H new ATOM 0 HB2 SER B 41 -3.571 -9.623 -7.965 1.00 0.00 H new ATOM 0 HB3 SER B 41 -2.388 -9.029 -9.114 1.00 0.00 H new ATOM 0 HG SER B 41 -4.562 -8.800 -9.895 1.00 0.00 H new ATOM 1640 N ALA B 42 -0.980 -11.546 -10.833 1.00 0.00 N ATOM 1641 CA ALA B 42 0.294 -11.500 -11.541 1.00 0.00 C ATOM 1642 C ALA B 42 0.780 -10.067 -11.651 1.00 0.00 C ATOM 1643 O ALA B 42 1.903 -9.802 -12.078 1.00 0.00 O ATOM 1644 CB ALA B 42 0.154 -12.119 -12.921 1.00 0.00 C ATOM 0 H ALA B 42 -1.741 -11.971 -11.362 1.00 0.00 H new ATOM 0 HA ALA B 42 1.028 -12.075 -10.977 1.00 0.00 H new ATOM 0 HB1 ALA B 42 1.113 -12.077 -13.437 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -0.161 -13.158 -12.824 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -0.591 -11.566 -13.494 1.00 0.00 H new ATOM 1650 N ALA B 43 -0.089 -9.150 -11.257 1.00 0.00 N ATOM 1651 CA ALA B 43 0.199 -7.733 -11.317 1.00 0.00 C ATOM 1652 C ALA B 43 0.926 -7.231 -10.077 1.00 0.00 C ATOM 1653 O ALA B 43 2.023 -6.703 -10.191 1.00 0.00 O ATOM 1654 CB ALA B 43 -1.099 -6.972 -11.537 1.00 0.00 C ATOM 0 H ALA B 43 -1.013 -9.371 -10.887 1.00 0.00 H new ATOM 0 HA ALA B 43 0.875 -7.558 -12.154 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -0.891 -5.903 -11.583 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -1.555 -7.294 -12.473 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -1.783 -7.173 -10.712 1.00 0.00 H new ATOM 1660 N CYS B 44 0.329 -7.414 -8.901 1.00 0.00 N ATOM 1661 CA CYS B 44 0.932 -6.955 -7.645 1.00 0.00 C ATOM 1662 C CYS B 44 2.443 -7.196 -7.634 1.00 0.00 C ATOM 1663 O CYS B 44 3.212 -6.383 -7.114 1.00 0.00 O ATOM 1664 CB CYS B 44 0.282 -7.672 -6.455 1.00 0.00 C ATOM 1665 SG CYS B 44 -1.121 -6.799 -5.691 1.00 0.00 S ATOM 0 H CYS B 44 -0.573 -7.877 -8.788 1.00 0.00 H new ATOM 0 HA CYS B 44 0.757 -5.882 -7.561 1.00 0.00 H new ATOM 0 HB2 CYS B 44 -0.059 -8.653 -6.785 1.00 0.00 H new ATOM 0 HB3 CYS B 44 1.043 -7.839 -5.693 1.00 0.00 H new ATOM 1670 N ILE B 45 2.862 -8.310 -8.215 1.00 0.00 N ATOM 1671 CA ILE B 45 4.275 -8.663 -8.265 1.00 0.00 C ATOM 1672 C ILE B 45 4.997 -7.978 -9.431 1.00 0.00 C ATOM 1673 O ILE B 45 6.045 -7.308 -9.253 1.00 0.00 O ATOM 1674 CB ILE B 45 4.465 -10.189 -8.334 1.00 0.00 C ATOM 1675 CG1 ILE B 45 3.209 -10.903 -7.826 1.00 0.00 C ATOM 1676 CG2 ILE B 45 5.672 -10.601 -7.504 1.00 0.00 C ATOM 1677 CD1 ILE B 45 2.452 -11.649 -8.904 1.00 0.00 C ATOM 0 H ILE B 45 2.243 -8.988 -8.660 1.00 0.00 H new ATOM 0 HA ILE B 45 4.725 -8.301 -7.341 1.00 0.00 H new ATOM 0 HB ILE B 45 4.634 -10.475 -9.372 1.00 0.00 H new ATOM 0 HG12 ILE B 45 3.494 -11.605 -7.043 1.00 0.00 H new ATOM 0 HG13 ILE B 45 2.544 -10.169 -7.370 1.00 0.00 H new ATOM 0 HG21 ILE B 45 5.799 -11.682 -7.558 1.00 0.00 H new ATOM 0 HG22 ILE B 45 6.565 -10.111 -7.892 1.00 0.00 H new ATOM 0 HG23 ILE B 45 5.518 -10.306 -6.466 1.00 0.00 H new ATOM 0 HD11 ILE B 45 1.576 -12.129 -8.468 1.00 0.00 H new ATOM 0 HD12 ILE B 45 2.135 -10.949 -9.677 1.00 0.00 H new ATOM 0 HD13 ILE B 45 3.099 -12.408 -9.344 1.00 0.00 H new ATOM 1689 N ALA B 46 4.429 -8.115 -10.630 1.00 0.00 N ATOM 1690 CA ALA B 46 5.020 -7.479 -11.799 1.00 0.00 C ATOM 1691 C ALA B 46 5.169 -6.010 -11.472 1.00 0.00 C ATOM 1692 O ALA B 46 5.972 -5.267 -12.045 1.00 0.00 O ATOM 1693 CB ALA B 46 4.141 -7.683 -13.024 1.00 0.00 C ATOM 0 H ALA B 46 3.579 -8.649 -10.812 1.00 0.00 H new ATOM 0 HA ALA B 46 5.990 -7.918 -12.033 1.00 0.00 H new ATOM 0 HB1 ALA B 46 4.601 -7.200 -13.886 1.00 0.00 H new ATOM 0 HB2 ALA B 46 4.033 -8.750 -13.221 1.00 0.00 H new ATOM 0 HB3 ALA B 46 3.159 -7.246 -12.844 1.00 0.00 H new ATOM 1699 N ALA B 47 4.370 -5.636 -10.493 1.00 0.00 N ATOM 1700 CA ALA B 47 4.313 -4.299 -9.976 1.00 0.00 C ATOM 1701 C ALA B 47 5.544 -3.977 -9.162 1.00 0.00 C ATOM 1702 O ALA B 47 6.136 -2.911 -9.326 1.00 0.00 O ATOM 1703 CB ALA B 47 3.089 -4.169 -9.104 1.00 0.00 C ATOM 0 H ALA B 47 3.728 -6.278 -10.028 1.00 0.00 H new ATOM 0 HA ALA B 47 4.265 -3.600 -10.811 1.00 0.00 H new ATOM 0 HB1 ALA B 47 3.033 -3.157 -8.704 1.00 0.00 H new ATOM 0 HB2 ALA B 47 2.197 -4.375 -9.696 1.00 0.00 H new ATOM 0 HB3 ALA B 47 3.151 -4.881 -8.281 1.00 0.00 H new ATOM 1709 N VAL B 48 5.945 -4.918 -8.306 1.00 0.00 N ATOM 1710 CA VAL B 48 7.095 -4.707 -7.441 1.00 0.00 C ATOM 1711 C VAL B 48 8.172 -3.975 -8.181 1.00 0.00 C ATOM 1712 O VAL B 48 8.808 -3.067 -7.649 1.00 0.00 O ATOM 1713 CB VAL B 48 7.692 -6.032 -6.935 1.00 0.00 C ATOM 1714 CG1 VAL B 48 8.804 -5.774 -5.930 1.00 0.00 C ATOM 1715 CG2 VAL B 48 6.617 -6.912 -6.332 1.00 0.00 C ATOM 0 H VAL B 48 5.491 -5.825 -8.197 1.00 0.00 H new ATOM 0 HA VAL B 48 6.740 -4.127 -6.589 1.00 0.00 H new ATOM 0 HB VAL B 48 8.121 -6.558 -7.788 1.00 0.00 H new ATOM 0 HG11 VAL B 48 9.211 -6.725 -5.586 1.00 0.00 H new ATOM 0 HG12 VAL B 48 9.594 -5.191 -6.403 1.00 0.00 H new ATOM 0 HG13 VAL B 48 8.405 -5.221 -5.080 1.00 0.00 H new ATOM 0 HG21 VAL B 48 7.063 -7.843 -5.981 1.00 0.00 H new ATOM 0 HG22 VAL B 48 6.151 -6.394 -5.493 1.00 0.00 H new ATOM 0 HG23 VAL B 48 5.862 -7.133 -7.087 1.00 0.00 H new ATOM 1725 N GLY B 49 8.368 -4.375 -9.409 1.00 0.00 N ATOM 1726 CA GLY B 49 9.395 -3.727 -10.211 1.00 0.00 C ATOM 1727 C GLY B 49 8.939 -2.517 -11.007 1.00 0.00 C ATOM 1728 O GLY B 49 9.746 -1.648 -11.323 1.00 0.00 O ATOM 0 H GLY B 49 7.853 -5.123 -9.874 1.00 0.00 H new ATOM 0 HA2 GLY B 49 10.207 -3.421 -9.551 1.00 0.00 H new ATOM 0 HA3 GLY B 49 9.807 -4.461 -10.904 1.00 0.00 H new ATOM 1732 N GLU B 50 7.656 -2.425 -11.298 1.00 0.00 N ATOM 1733 CA GLU B 50 7.160 -1.353 -12.155 1.00 0.00 C ATOM 1734 C GLU B 50 6.737 -0.021 -11.470 1.00 0.00 C ATOM 1735 O GLU B 50 5.888 0.679 -12.008 1.00 0.00 O ATOM 1736 CB GLU B 50 6.080 -1.889 -13.085 1.00 0.00 C ATOM 1737 CG GLU B 50 5.778 -0.945 -14.232 1.00 0.00 C ATOM 1738 CD GLU B 50 6.641 -1.212 -15.450 1.00 0.00 C ATOM 1739 OE1 GLU B 50 6.307 -2.134 -16.224 1.00 0.00 O ATOM 1740 OE2 GLU B 50 7.651 -0.501 -15.629 1.00 0.00 O ATOM 0 H GLU B 50 6.941 -3.069 -10.961 1.00 0.00 H new ATOM 0 HA GLU B 50 8.035 -1.038 -12.724 1.00 0.00 H new ATOM 0 HB2 GLU B 50 6.396 -2.852 -13.486 1.00 0.00 H new ATOM 0 HB3 GLU B 50 5.168 -2.065 -12.514 1.00 0.00 H new ATOM 0 HG2 GLU B 50 4.728 -1.039 -14.508 1.00 0.00 H new ATOM 0 HG3 GLU B 50 5.930 0.083 -13.902 1.00 0.00 H new ATOM 1747 N LEU B 51 7.210 0.272 -10.246 1.00 0.00 N ATOM 1748 CA LEU B 51 6.946 1.590 -9.591 1.00 0.00 C ATOM 1749 C LEU B 51 5.931 1.516 -8.495 1.00 0.00 C ATOM 1750 O LEU B 51 4.715 1.459 -8.739 1.00 0.00 O ATOM 1751 CB LEU B 51 6.550 2.689 -10.571 1.00 0.00 C ATOM 1752 CG LEU B 51 6.725 4.114 -10.041 1.00 0.00 C ATOM 1753 CD1 LEU B 51 8.198 4.460 -9.851 1.00 0.00 C ATOM 1754 CD2 LEU B 51 6.044 5.120 -10.955 1.00 0.00 C ATOM 0 H LEU B 51 7.772 -0.369 -9.686 1.00 0.00 H new ATOM 0 HA LEU B 51 7.908 1.855 -9.152 1.00 0.00 H new ATOM 0 HB2 LEU B 51 7.143 2.578 -11.479 1.00 0.00 H new ATOM 0 HB3 LEU B 51 5.507 2.547 -10.853 1.00 0.00 H new ATOM 0 HG LEU B 51 6.246 4.164 -9.063 1.00 0.00 H new ATOM 0 HD11 LEU B 51 8.287 5.479 -9.474 1.00 0.00 H new ATOM 0 HD12 LEU B 51 8.645 3.768 -9.137 1.00 0.00 H new ATOM 0 HD13 LEU B 51 8.717 4.381 -10.806 1.00 0.00 H new ATOM 0 HD21 LEU B 51 6.183 6.125 -10.557 1.00 0.00 H new ATOM 0 HD22 LEU B 51 6.482 5.061 -11.951 1.00 0.00 H new ATOM 0 HD23 LEU B 51 4.979 4.896 -11.013 1.00 0.00 H new ATOM 1766 N GLY B 52 6.473 1.528 -7.274 1.00 0.00 N ATOM 1767 CA GLY B 52 5.685 1.444 -6.075 1.00 0.00 C ATOM 1768 C GLY B 52 4.728 0.331 -6.205 1.00 0.00 C ATOM 1769 O GLY B 52 3.792 0.192 -5.422 1.00 0.00 O ATOM 0 H GLY B 52 7.477 1.597 -7.105 1.00 0.00 H new ATOM 0 HA2 GLY B 52 6.330 1.286 -5.211 1.00 0.00 H new ATOM 0 HA3 GLY B 52 5.153 2.380 -5.908 1.00 0.00 H new ATOM 1773 N LEU B 53 5.024 -0.467 -7.218 1.00 0.00 N ATOM 1774 CA LEU B 53 4.259 -1.605 -7.595 1.00 0.00 C ATOM 1775 C LEU B 53 3.243 -1.179 -8.638 1.00 0.00 C ATOM 1776 O LEU B 53 2.048 -1.427 -8.482 1.00 0.00 O ATOM 1777 CB LEU B 53 3.593 -2.291 -6.402 1.00 0.00 C ATOM 1778 CG LEU B 53 4.491 -2.637 -5.193 1.00 0.00 C ATOM 1779 CD1 LEU B 53 4.302 -4.091 -4.781 1.00 0.00 C ATOM 1780 CD2 LEU B 53 5.961 -2.360 -5.480 1.00 0.00 C ATOM 0 H LEU B 53 5.839 -0.319 -7.812 1.00 0.00 H new ATOM 0 HA LEU B 53 4.930 -2.353 -8.018 1.00 0.00 H new ATOM 0 HB2 LEU B 53 2.786 -1.648 -6.050 1.00 0.00 H new ATOM 0 HB3 LEU B 53 3.134 -3.214 -6.756 1.00 0.00 H new ATOM 0 HG LEU B 53 4.185 -1.992 -4.370 1.00 0.00 H new ATOM 0 HD11 LEU B 53 4.943 -4.314 -3.928 1.00 0.00 H new ATOM 0 HD12 LEU B 53 3.261 -4.259 -4.506 1.00 0.00 H new ATOM 0 HD13 LEU B 53 4.566 -4.742 -5.614 1.00 0.00 H new ATOM 0 HD21 LEU B 53 6.557 -2.617 -4.604 1.00 0.00 H new ATOM 0 HD22 LEU B 53 6.286 -2.961 -6.329 1.00 0.00 H new ATOM 0 HD23 LEU B 53 6.094 -1.303 -5.712 1.00 0.00 H new ATOM 1792 N ASP B 54 3.748 -0.541 -9.719 1.00 0.00 N ATOM 1793 CA ASP B 54 2.897 -0.050 -10.804 1.00 0.00 C ATOM 1794 C ASP B 54 1.457 -0.155 -10.418 1.00 0.00 C ATOM 1795 O ASP B 54 0.905 -1.249 -10.426 1.00 0.00 O ATOM 1796 CB ASP B 54 3.107 -0.860 -12.071 1.00 0.00 C ATOM 1797 CG ASP B 54 2.668 -0.124 -13.320 1.00 0.00 C ATOM 1798 OD1 ASP B 54 3.209 0.970 -13.586 1.00 0.00 O ATOM 1799 OD2 ASP B 54 1.788 -0.644 -14.038 1.00 0.00 O ATOM 0 H ASP B 54 4.742 -0.359 -9.854 1.00 0.00 H new ATOM 0 HA ASP B 54 3.167 0.990 -10.987 1.00 0.00 H new ATOM 0 HB2 ASP B 54 4.162 -1.119 -12.160 1.00 0.00 H new ATOM 0 HB3 ASP B 54 2.554 -1.796 -11.994 1.00 0.00 H new ATOM 1804 N VAL B 55 0.847 0.950 -10.051 1.00 0.00 N ATOM 1805 CA VAL B 55 -0.553 0.891 -9.653 1.00 0.00 C ATOM 1806 C VAL B 55 -1.343 -0.008 -10.585 1.00 0.00 C ATOM 1807 O VAL B 55 -2.038 -0.897 -10.097 1.00 0.00 O ATOM 1808 CB VAL B 55 -1.233 2.271 -9.547 1.00 0.00 C ATOM 1809 CG1 VAL B 55 -2.304 2.482 -10.622 1.00 0.00 C ATOM 1810 CG2 VAL B 55 -1.853 2.416 -8.174 1.00 0.00 C ATOM 0 H VAL B 55 1.276 1.875 -10.018 1.00 0.00 H new ATOM 0 HA VAL B 55 -0.552 0.470 -8.648 1.00 0.00 H new ATOM 0 HB VAL B 55 -0.467 3.030 -9.704 1.00 0.00 H new ATOM 0 HG11 VAL B 55 -2.751 3.469 -10.502 1.00 0.00 H new ATOM 0 HG12 VAL B 55 -1.848 2.408 -11.609 1.00 0.00 H new ATOM 0 HG13 VAL B 55 -3.076 1.719 -10.521 1.00 0.00 H new ATOM 0 HG21 VAL B 55 -2.335 3.390 -8.094 1.00 0.00 H new ATOM 0 HG22 VAL B 55 -2.594 1.631 -8.025 1.00 0.00 H new ATOM 0 HG23 VAL B 55 -1.077 2.332 -7.413 1.00 0.00 H new ATOM 1820 N PRO B 56 -1.222 0.174 -11.935 1.00 0.00 N ATOM 1821 CA PRO B 56 -1.960 -0.646 -12.892 1.00 0.00 C ATOM 1822 C PRO B 56 -1.803 -2.112 -12.563 1.00 0.00 C ATOM 1823 O PRO B 56 -2.605 -2.950 -12.977 1.00 0.00 O ATOM 1824 CB PRO B 56 -1.309 -0.319 -14.237 1.00 0.00 C ATOM 1825 CG PRO B 56 -0.761 1.053 -14.063 1.00 0.00 C ATOM 1826 CD PRO B 56 -0.337 1.145 -12.623 1.00 0.00 C ATOM 0 HA PRO B 56 -3.031 -0.444 -12.886 1.00 0.00 H new ATOM 0 HB2 PRO B 56 -0.522 -1.033 -14.481 1.00 0.00 H new ATOM 0 HB3 PRO B 56 -2.035 -0.356 -15.049 1.00 0.00 H new ATOM 0 HG2 PRO B 56 0.083 1.225 -14.731 1.00 0.00 H new ATOM 0 HG3 PRO B 56 -1.512 1.807 -14.298 1.00 0.00 H new ATOM 0 HD2 PRO B 56 0.715 0.887 -12.498 1.00 0.00 H new ATOM 0 HD3 PRO B 56 -0.467 2.154 -12.231 1.00 0.00 H new ATOM 1834 N LEU B 57 -0.726 -2.420 -11.859 1.00 0.00 N ATOM 1835 CA LEU B 57 -0.471 -3.771 -11.439 1.00 0.00 C ATOM 1836 C LEU B 57 -0.942 -4.044 -10.011 1.00 0.00 C ATOM 1837 O LEU B 57 -1.979 -4.653 -9.812 1.00 0.00 O ATOM 1838 CB LEU B 57 1.007 -4.119 -11.578 1.00 0.00 C ATOM 1839 CG LEU B 57 1.607 -3.925 -12.979 1.00 0.00 C ATOM 1840 CD1 LEU B 57 3.057 -4.367 -13.009 1.00 0.00 C ATOM 1841 CD2 LEU B 57 0.807 -4.692 -14.022 1.00 0.00 C ATOM 0 H LEU B 57 -0.018 -1.745 -11.570 1.00 0.00 H new ATOM 0 HA LEU B 57 -1.053 -4.412 -12.102 1.00 0.00 H new ATOM 0 HB2 LEU B 57 1.573 -3.510 -10.873 1.00 0.00 H new ATOM 0 HB3 LEU B 57 1.146 -5.159 -11.284 1.00 0.00 H new ATOM 0 HG LEU B 57 1.561 -2.862 -13.217 1.00 0.00 H new ATOM 0 HD11 LEU B 57 3.461 -4.221 -14.011 1.00 0.00 H new ATOM 0 HD12 LEU B 57 3.632 -3.777 -12.296 1.00 0.00 H new ATOM 0 HD13 LEU B 57 3.121 -5.422 -12.742 1.00 0.00 H new ATOM 0 HD21 LEU B 57 1.251 -4.539 -15.006 1.00 0.00 H new ATOM 0 HD22 LEU B 57 0.818 -5.755 -13.780 1.00 0.00 H new ATOM 0 HD23 LEU B 57 -0.222 -4.332 -14.028 1.00 0.00 H new ATOM 1853 N ASP B 58 -0.170 -3.561 -9.028 1.00 0.00 N ATOM 1854 CA ASP B 58 -0.434 -3.806 -7.600 1.00 0.00 C ATOM 1855 C ASP B 58 -1.709 -3.222 -7.044 1.00 0.00 C ATOM 1856 O ASP B 58 -2.547 -3.957 -6.547 1.00 0.00 O ATOM 1857 CB ASP B 58 0.712 -3.272 -6.775 1.00 0.00 C ATOM 1858 CG ASP B 58 0.459 -3.350 -5.280 1.00 0.00 C ATOM 1859 OD1 ASP B 58 -0.509 -4.024 -4.873 1.00 0.00 O ATOM 1860 OD2 ASP B 58 1.226 -2.729 -4.518 1.00 0.00 O ATOM 0 H ASP B 58 0.657 -2.988 -9.199 1.00 0.00 H new ATOM 0 HA ASP B 58 -0.545 -4.888 -7.535 1.00 0.00 H new ATOM 0 HB2 ASP B 58 1.616 -3.833 -7.014 1.00 0.00 H new ATOM 0 HB3 ASP B 58 0.898 -2.234 -7.052 1.00 0.00 H new ATOM 1865 N LEU B 59 -1.842 -1.917 -7.065 1.00 0.00 N ATOM 1866 CA LEU B 59 -3.023 -1.312 -6.489 1.00 0.00 C ATOM 1867 C LEU B 59 -4.186 -1.563 -7.376 1.00 0.00 C ATOM 1868 O LEU B 59 -5.313 -1.293 -7.018 1.00 0.00 O ATOM 1869 CB LEU B 59 -2.842 0.151 -6.169 1.00 0.00 C ATOM 1870 CG LEU B 59 -2.605 0.430 -4.688 1.00 0.00 C ATOM 1871 CD1 LEU B 59 -3.896 0.388 -3.904 1.00 0.00 C ATOM 1872 CD2 LEU B 59 -1.593 -0.544 -4.086 1.00 0.00 C ATOM 0 H LEU B 59 -1.166 -1.265 -7.464 1.00 0.00 H new ATOM 0 HA LEU B 59 -3.211 -1.783 -5.524 1.00 0.00 H new ATOM 0 HB2 LEU B 59 -1.999 0.538 -6.742 1.00 0.00 H new ATOM 0 HB3 LEU B 59 -3.727 0.697 -6.496 1.00 0.00 H new ATOM 0 HG LEU B 59 -2.193 1.437 -4.619 1.00 0.00 H new ATOM 0 HD11 LEU B 59 -3.690 0.591 -2.853 1.00 0.00 H new ATOM 0 HD12 LEU B 59 -4.582 1.141 -4.292 1.00 0.00 H new ATOM 0 HD13 LEU B 59 -4.349 -0.599 -4.001 1.00 0.00 H new ATOM 0 HD21 LEU B 59 -1.450 -0.314 -3.030 1.00 0.00 H new ATOM 0 HD22 LEU B 59 -1.964 -1.564 -4.188 1.00 0.00 H new ATOM 0 HD23 LEU B 59 -0.642 -0.450 -4.610 1.00 0.00 H new ATOM 1884 N ALA B 60 -3.871 -1.987 -8.574 1.00 0.00 N ATOM 1885 CA ALA B 60 -4.877 -2.356 -9.535 1.00 0.00 C ATOM 1886 C ALA B 60 -5.206 -3.809 -9.274 1.00 0.00 C ATOM 1887 O ALA B 60 -6.287 -4.289 -9.575 1.00 0.00 O ATOM 1888 CB ALA B 60 -4.367 -2.148 -10.938 1.00 0.00 C ATOM 0 H ALA B 60 -2.913 -2.086 -8.909 1.00 0.00 H new ATOM 0 HA ALA B 60 -5.770 -1.739 -9.436 1.00 0.00 H new ATOM 0 HB1 ALA B 60 -5.140 -2.432 -11.652 1.00 0.00 H new ATOM 0 HB2 ALA B 60 -4.110 -1.098 -11.080 1.00 0.00 H new ATOM 0 HB3 ALA B 60 -3.482 -2.763 -11.098 1.00 0.00 H new ATOM 1894 N CYS B 61 -4.212 -4.490 -8.711 1.00 0.00 N ATOM 1895 CA CYS B 61 -4.321 -5.876 -8.290 1.00 0.00 C ATOM 1896 C CYS B 61 -5.121 -5.857 -7.002 1.00 0.00 C ATOM 1897 O CYS B 61 -5.947 -6.723 -6.701 1.00 0.00 O ATOM 1898 CB CYS B 61 -2.913 -6.422 -8.042 1.00 0.00 C ATOM 1899 SG CYS B 61 -2.742 -7.563 -6.648 1.00 0.00 S ATOM 0 H CYS B 61 -3.294 -4.083 -8.533 1.00 0.00 H new ATOM 0 HA CYS B 61 -4.804 -6.507 -9.036 1.00 0.00 H new ATOM 0 HB2 CYS B 61 -2.577 -6.930 -8.946 1.00 0.00 H new ATOM 0 HB3 CYS B 61 -2.241 -5.579 -7.881 1.00 0.00 H new ATOM 1904 N ALA B 62 -4.872 -4.789 -6.271 1.00 0.00 N ATOM 1905 CA ALA B 62 -5.515 -4.535 -5.013 1.00 0.00 C ATOM 1906 C ALA B 62 -6.876 -3.902 -5.257 1.00 0.00 C ATOM 1907 O ALA B 62 -7.862 -4.252 -4.603 1.00 0.00 O ATOM 1908 CB ALA B 62 -4.615 -3.651 -4.172 1.00 0.00 C ATOM 0 H ALA B 62 -4.206 -4.067 -6.545 1.00 0.00 H new ATOM 0 HA ALA B 62 -5.681 -5.464 -4.468 1.00 0.00 H new ATOM 0 HB1 ALA B 62 -5.094 -3.451 -3.213 1.00 0.00 H new ATOM 0 HB2 ALA B 62 -3.663 -4.155 -4.004 1.00 0.00 H new ATOM 0 HB3 ALA B 62 -4.440 -2.710 -4.693 1.00 0.00 H new ATOM 1914 N ALA B 63 -6.917 -2.975 -6.219 1.00 0.00 N ATOM 1915 CA ALA B 63 -8.156 -2.314 -6.601 1.00 0.00 C ATOM 1916 C ALA B 63 -9.047 -3.335 -7.243 1.00 0.00 C ATOM 1917 O ALA B 63 -10.268 -3.290 -7.120 1.00 0.00 O ATOM 1918 CB ALA B 63 -7.908 -1.179 -7.575 1.00 0.00 C ATOM 0 H ALA B 63 -6.099 -2.668 -6.746 1.00 0.00 H new ATOM 0 HA ALA B 63 -8.619 -1.888 -5.711 1.00 0.00 H new ATOM 0 HB1 ALA B 63 -8.857 -0.710 -7.837 1.00 0.00 H new ATOM 0 HB2 ALA B 63 -7.253 -0.440 -7.113 1.00 0.00 H new ATOM 0 HB3 ALA B 63 -7.436 -1.570 -8.476 1.00 0.00 H new ATOM 1924 N THR B 64 -8.411 -4.276 -7.928 1.00 0.00 N ATOM 1925 CA THR B 64 -9.153 -5.348 -8.562 1.00 0.00 C ATOM 1926 C THR B 64 -9.586 -6.312 -7.480 1.00 0.00 C ATOM 1927 O THR B 64 -10.027 -7.428 -7.757 1.00 0.00 O ATOM 1928 CB THR B 64 -8.368 -6.105 -9.675 1.00 0.00 C ATOM 1929 OG1 THR B 64 -9.294 -6.767 -10.546 1.00 0.00 O ATOM 1930 CG2 THR B 64 -7.396 -7.143 -9.111 1.00 0.00 C ATOM 0 H THR B 64 -7.400 -4.317 -8.056 1.00 0.00 H new ATOM 0 HA THR B 64 -10.005 -4.900 -9.074 1.00 0.00 H new ATOM 0 HB THR B 64 -7.783 -5.361 -10.215 1.00 0.00 H new ATOM 0 HG1 THR B 64 -9.939 -7.275 -10.012 1.00 0.00 H new ATOM 0 HG21 THR B 64 -6.877 -7.639 -9.931 1.00 0.00 H new ATOM 0 HG22 THR B 64 -6.668 -6.648 -8.468 1.00 0.00 H new ATOM 0 HG23 THR B 64 -7.949 -7.882 -8.532 1.00 0.00 H new ATOM 1938 N ALA B 65 -9.461 -5.859 -6.225 1.00 0.00 N ATOM 1939 CA ALA B 65 -9.813 -6.694 -5.101 1.00 0.00 C ATOM 1940 C ALA B 65 -10.022 -5.936 -3.776 1.00 0.00 C ATOM 1941 O ALA B 65 -11.072 -5.348 -3.566 1.00 0.00 O ATOM 1942 CB ALA B 65 -8.764 -7.755 -4.946 1.00 0.00 C ATOM 0 H ALA B 65 -9.122 -4.929 -5.979 1.00 0.00 H new ATOM 0 HA ALA B 65 -10.786 -7.132 -5.324 1.00 0.00 H new ATOM 0 HB1 ALA B 65 -9.016 -8.395 -4.100 1.00 0.00 H new ATOM 0 HB2 ALA B 65 -8.717 -8.356 -5.854 1.00 0.00 H new ATOM 0 HB3 ALA B 65 -7.796 -7.286 -4.771 1.00 0.00 H new ATOM 1948 N THR B 66 -9.032 -5.964 -2.869 1.00 0.00 N ATOM 1949 CA THR B 66 -9.204 -5.340 -1.543 1.00 0.00 C ATOM 1950 C THR B 66 -8.968 -3.842 -1.524 1.00 0.00 C ATOM 1951 O THR B 66 -9.776 -3.121 -0.949 1.00 0.00 O ATOM 1952 CB THR B 66 -8.324 -5.964 -0.448 1.00 0.00 C ATOM 1953 OG1 THR B 66 -7.040 -5.354 -0.457 1.00 0.00 O ATOM 1954 CG2 THR B 66 -8.183 -7.463 -0.628 1.00 0.00 C ATOM 0 H THR B 66 -8.123 -6.401 -3.022 1.00 0.00 H new ATOM 0 HA THR B 66 -10.254 -5.538 -1.327 1.00 0.00 H new ATOM 0 HB THR B 66 -8.810 -5.788 0.512 1.00 0.00 H new ATOM 0 HG1 THR B 66 -6.642 -5.416 0.436 1.00 0.00 H new ATOM 0 HG21 THR B 66 -7.554 -7.867 0.165 1.00 0.00 H new ATOM 0 HG22 THR B 66 -9.167 -7.929 -0.584 1.00 0.00 H new ATOM 0 HG23 THR B 66 -7.726 -7.672 -1.595 1.00 0.00 H new ATOM 1962 N SER B 67 -7.879 -3.345 -2.121 1.00 0.00 N ATOM 1963 CA SER B 67 -7.668 -1.890 -2.102 1.00 0.00 C ATOM 1964 C SER B 67 -8.995 -1.295 -2.469 1.00 0.00 C ATOM 1965 O SER B 67 -9.369 -0.192 -2.068 1.00 0.00 O ATOM 1966 CB SER B 67 -6.578 -1.424 -3.048 1.00 0.00 C ATOM 1967 OG SER B 67 -6.481 -0.013 -3.021 1.00 0.00 O ATOM 0 H SER B 67 -7.164 -3.892 -2.600 1.00 0.00 H new ATOM 0 HA SER B 67 -7.323 -1.571 -1.119 1.00 0.00 H new ATOM 0 HB2 SER B 67 -5.624 -1.867 -2.763 1.00 0.00 H new ATOM 0 HB3 SER B 67 -6.796 -1.762 -4.061 1.00 0.00 H new ATOM 0 HG SER B 67 -6.437 0.329 -3.938 1.00 0.00 H new ATOM 1973 N SER B 68 -9.680 -2.091 -3.270 1.00 0.00 N ATOM 1974 CA SER B 68 -11.027 -1.880 -3.649 1.00 0.00 C ATOM 1975 C SER B 68 -11.271 -0.820 -4.684 1.00 0.00 C ATOM 1976 O SER B 68 -11.176 0.376 -4.436 1.00 0.00 O ATOM 1977 CB SER B 68 -11.884 -1.650 -2.419 1.00 0.00 C ATOM 1978 OG SER B 68 -13.201 -1.277 -2.779 1.00 0.00 O ATOM 0 H SER B 68 -9.277 -2.933 -3.681 1.00 0.00 H new ATOM 0 HA SER B 68 -11.318 -2.800 -4.155 1.00 0.00 H new ATOM 0 HB2 SER B 68 -11.912 -2.558 -1.816 1.00 0.00 H new ATOM 0 HB3 SER B 68 -11.438 -0.871 -1.801 1.00 0.00 H new ATOM 0 HG SER B 68 -13.613 -1.996 -3.302 1.00 0.00 H new ATOM 1984 N ALA B 69 -11.600 -1.324 -5.852 1.00 0.00 N ATOM 1985 CA ALA B 69 -11.973 -0.514 -6.996 1.00 0.00 C ATOM 1986 C ALA B 69 -12.029 -1.380 -8.241 1.00 0.00 C ATOM 1987 O ALA B 69 -11.516 -1.017 -9.300 1.00 0.00 O ATOM 1988 CB ALA B 69 -11.031 0.660 -7.193 1.00 0.00 C ATOM 0 H ALA B 69 -11.617 -2.326 -6.040 1.00 0.00 H new ATOM 0 HA ALA B 69 -12.962 -0.096 -6.806 1.00 0.00 H new ATOM 0 HB1 ALA B 69 -11.348 1.239 -8.060 1.00 0.00 H new ATOM 0 HB2 ALA B 69 -11.050 1.294 -6.307 1.00 0.00 H new ATOM 0 HB3 ALA B 69 -10.018 0.291 -7.354 1.00 0.00 H new ATOM 1994 N THR B 70 -12.662 -2.532 -8.089 1.00 0.00 N ATOM 1995 CA THR B 70 -12.798 -3.488 -9.175 1.00 0.00 C ATOM 1996 C THR B 70 -14.176 -3.396 -9.802 1.00 0.00 C ATOM 1997 O THR B 70 -15.156 -3.896 -9.250 1.00 0.00 O ATOM 1998 CB THR B 70 -12.562 -4.931 -8.692 1.00 0.00 C ATOM 1999 OG1 THR B 70 -13.438 -5.830 -9.382 1.00 0.00 O ATOM 2000 CG2 THR B 70 -12.778 -5.049 -7.189 1.00 0.00 C ATOM 0 H THR B 70 -13.094 -2.829 -7.214 1.00 0.00 H new ATOM 0 HA THR B 70 -12.040 -3.238 -9.917 1.00 0.00 H new ATOM 0 HB THR B 70 -11.527 -5.196 -8.910 1.00 0.00 H new ATOM 0 HG1 THR B 70 -13.636 -6.599 -8.808 1.00 0.00 H new ATOM 0 HG21 THR B 70 -12.605 -6.079 -6.876 1.00 0.00 H new ATOM 0 HG22 THR B 70 -12.083 -4.390 -6.669 1.00 0.00 H new ATOM 0 HG23 THR B 70 -13.801 -4.763 -6.945 1.00 0.00 H new ATOM 2008 N GLU B 71 -14.247 -2.756 -10.960 1.00 0.00 N ATOM 2009 CA GLU B 71 -15.510 -2.599 -11.657 1.00 0.00 C ATOM 2010 C GLU B 71 -16.003 -3.927 -12.193 1.00 0.00 C ATOM 2011 O GLU B 71 -17.085 -4.010 -12.775 1.00 0.00 O ATOM 2012 CB GLU B 71 -15.382 -1.578 -12.785 1.00 0.00 C ATOM 2013 CG GLU B 71 -14.358 -1.903 -13.852 1.00 0.00 C ATOM 2014 CD GLU B 71 -14.657 -3.182 -14.611 1.00 0.00 C ATOM 2015 OE1 GLU B 71 -15.638 -3.197 -15.385 1.00 0.00 O ATOM 2016 OE2 GLU B 71 -13.909 -4.167 -14.434 1.00 0.00 O ATOM 0 H GLU B 71 -13.446 -2.339 -11.434 1.00 0.00 H new ATOM 0 HA GLU B 71 -16.245 -2.229 -10.942 1.00 0.00 H new ATOM 0 HB2 GLU B 71 -16.355 -1.468 -13.263 1.00 0.00 H new ATOM 0 HB3 GLU B 71 -15.130 -0.611 -12.349 1.00 0.00 H new ATOM 0 HG2 GLU B 71 -14.306 -1.075 -14.559 1.00 0.00 H new ATOM 0 HG3 GLU B 71 -13.376 -1.987 -13.387 1.00 0.00 H new ATOM 2023 N ALA B 72 -15.208 -4.965 -11.993 1.00 0.00 N ATOM 2024 CA ALA B 72 -15.572 -6.280 -12.469 1.00 0.00 C ATOM 2025 C ALA B 72 -16.374 -7.053 -11.426 1.00 0.00 C ATOM 2026 O ALA B 72 -17.181 -7.916 -11.773 1.00 0.00 O ATOM 2027 CB ALA B 72 -14.333 -7.062 -12.880 1.00 0.00 C ATOM 0 H ALA B 72 -14.313 -4.919 -11.507 1.00 0.00 H new ATOM 0 HA ALA B 72 -16.209 -6.150 -13.344 1.00 0.00 H new ATOM 0 HB1 ALA B 72 -14.627 -8.049 -13.236 1.00 0.00 H new ATOM 0 HB2 ALA B 72 -13.814 -6.529 -13.677 1.00 0.00 H new ATOM 0 HB3 ALA B 72 -13.669 -7.168 -12.022 1.00 0.00 H new ATOM 2033 N CYS B 73 -16.156 -6.744 -10.148 1.00 0.00 N ATOM 2034 CA CYS B 73 -16.874 -7.426 -9.071 1.00 0.00 C ATOM 2035 C CYS B 73 -17.668 -6.448 -8.242 1.00 0.00 C ATOM 2036 O CYS B 73 -18.361 -6.846 -7.308 1.00 0.00 O ATOM 2037 CB CYS B 73 -15.914 -8.127 -8.113 1.00 0.00 C ATOM 2038 SG CYS B 73 -14.507 -8.962 -8.903 1.00 0.00 S ATOM 0 H CYS B 73 -15.495 -6.033 -9.835 1.00 0.00 H new ATOM 0 HA CYS B 73 -17.528 -8.149 -9.558 1.00 0.00 H new ATOM 0 HB2 CYS B 73 -15.530 -7.392 -7.406 1.00 0.00 H new ATOM 0 HB3 CYS B 73 -16.474 -8.862 -7.535 1.00 0.00 H new ATOM 2043 N LYS B 74 -17.585 -5.177 -8.580 1.00 0.00 N ATOM 2044 CA LYS B 74 -18.241 -4.181 -7.772 1.00 0.00 C ATOM 2045 C LYS B 74 -19.752 -4.229 -7.789 1.00 0.00 C ATOM 2046 O LYS B 74 -20.372 -5.266 -7.558 1.00 0.00 O ATOM 2047 CB LYS B 74 -17.762 -2.766 -8.074 1.00 0.00 C ATOM 2048 CG LYS B 74 -18.023 -1.825 -6.902 1.00 0.00 C ATOM 2049 CD LYS B 74 -19.109 -0.797 -7.194 1.00 0.00 C ATOM 2050 CE LYS B 74 -19.421 0.091 -6.003 1.00 0.00 C ATOM 2051 NZ LYS B 74 -20.249 1.267 -6.391 1.00 0.00 N ATOM 0 H LYS B 74 -17.081 -4.819 -9.391 1.00 0.00 H new ATOM 0 HA LYS B 74 -17.939 -4.451 -6.760 1.00 0.00 H new ATOM 0 HB2 LYS B 74 -16.695 -2.782 -8.298 1.00 0.00 H new ATOM 0 HB3 LYS B 74 -18.269 -2.391 -8.963 1.00 0.00 H new ATOM 0 HG2 LYS B 74 -18.311 -2.412 -6.030 1.00 0.00 H new ATOM 0 HG3 LYS B 74 -17.099 -1.306 -6.647 1.00 0.00 H new ATOM 0 HD2 LYS B 74 -18.796 -0.174 -8.032 1.00 0.00 H new ATOM 0 HD3 LYS B 74 -20.018 -1.314 -7.503 1.00 0.00 H new ATOM 0 HE2 LYS B 74 -19.947 -0.489 -5.245 1.00 0.00 H new ATOM 0 HE3 LYS B 74 -18.490 0.435 -5.552 1.00 0.00 H new ATOM 0 HZ1 LYS B 74 -20.299 1.934 -5.595 1.00 0.00 H new ATOM 0 HZ2 LYS B 74 -19.818 1.739 -7.212 1.00 0.00 H new ATOM 0 HZ3 LYS B 74 -21.208 0.950 -6.638 1.00 0.00 H new ATOM 2065 N GLY B 75 -20.320 -3.080 -8.070 1.00 0.00 N ATOM 2066 CA GLY B 75 -21.731 -2.911 -7.986 1.00 0.00 C ATOM 2067 C GLY B 75 -22.063 -2.940 -6.518 1.00 0.00 C ATOM 2068 O GLY B 75 -23.197 -3.211 -6.121 1.00 0.00 O ATOM 0 H GLY B 75 -19.810 -2.246 -8.361 1.00 0.00 H new ATOM 0 HA2 GLY B 75 -22.039 -1.968 -8.438 1.00 0.00 H new ATOM 0 HA3 GLY B 75 -22.252 -3.706 -8.520 1.00 0.00 H new ATOM 2072 N CYS B 76 -21.027 -2.643 -5.700 1.00 0.00 N ATOM 2073 CA CYS B 76 -21.155 -2.695 -4.264 1.00 0.00 C ATOM 2074 C CYS B 76 -20.042 -1.961 -3.483 1.00 0.00 C ATOM 2075 O CYS B 76 -20.309 -0.974 -2.801 1.00 0.00 O ATOM 2076 CB CYS B 76 -21.102 -4.162 -3.843 1.00 0.00 C ATOM 2077 SG CYS B 76 -22.703 -5.029 -3.809 1.00 0.00 S ATOM 0 H CYS B 76 -20.102 -2.367 -6.030 1.00 0.00 H new ATOM 0 HA CYS B 76 -22.094 -2.195 -4.026 1.00 0.00 H new ATOM 0 HB2 CYS B 76 -20.436 -4.693 -4.523 1.00 0.00 H new ATOM 0 HB3 CYS B 76 -20.656 -4.221 -2.850 1.00 0.00 H new ATOM 2082 N LEU B 77 -18.793 -2.429 -3.621 1.00 0.00 N ATOM 2083 CA LEU B 77 -17.674 -1.950 -2.776 1.00 0.00 C ATOM 2084 C LEU B 77 -16.687 -0.905 -3.344 1.00 0.00 C ATOM 2085 O LEU B 77 -15.906 -0.373 -2.559 1.00 0.00 O ATOM 2086 CB LEU B 77 -16.864 -3.181 -2.383 1.00 0.00 C ATOM 2087 CG LEU B 77 -15.690 -2.948 -1.428 1.00 0.00 C ATOM 2088 CD1 LEU B 77 -16.179 -2.397 -0.108 1.00 0.00 C ATOM 2089 CD2 LEU B 77 -14.918 -4.234 -1.205 1.00 0.00 C ATOM 0 H LEU B 77 -18.526 -3.137 -4.306 1.00 0.00 H new ATOM 0 HA LEU B 77 -18.167 -1.410 -1.968 1.00 0.00 H new ATOM 0 HB2 LEU B 77 -17.540 -3.902 -1.924 1.00 0.00 H new ATOM 0 HB3 LEU B 77 -16.478 -3.641 -3.293 1.00 0.00 H new ATOM 0 HG LEU B 77 -15.022 -2.217 -1.884 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -15.330 -2.238 0.557 1.00 0.00 H new ATOM 0 HD12 LEU B 77 -16.690 -1.449 -0.276 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -16.870 -3.106 0.349 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -14.088 -4.047 -0.524 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -15.579 -4.985 -0.773 1.00 0.00 H new ATOM 0 HD23 LEU B 77 -14.531 -4.596 -2.158 1.00 0.00 H new ATOM 2101 N TRP B 78 -16.697 -0.595 -4.639 1.00 0.00 N ATOM 2102 CA TRP B 78 -15.705 0.363 -5.206 1.00 0.00 C ATOM 2103 C TRP B 78 -15.029 1.222 -4.141 1.00 0.00 C ATOM 2104 O TRP B 78 -13.810 1.047 -3.934 1.00 0.00 O ATOM 2105 CB TRP B 78 -16.305 1.282 -6.281 1.00 0.00 C ATOM 2106 CG TRP B 78 -16.215 0.720 -7.659 1.00 0.00 C ATOM 2107 CD1 TRP B 78 -15.367 -0.252 -8.092 1.00 0.00 C ATOM 2108 CD2 TRP B 78 -17.011 1.087 -8.779 1.00 0.00 C ATOM 2109 NE1 TRP B 78 -15.614 -0.540 -9.404 1.00 0.00 N ATOM 2110 CE2 TRP B 78 -16.617 0.276 -9.849 1.00 0.00 C ATOM 2111 CE3 TRP B 78 -18.029 2.014 -8.977 1.00 0.00 C ATOM 2112 CZ2 TRP B 78 -17.208 0.362 -11.093 1.00 0.00 C ATOM 2113 CZ3 TRP B 78 -18.613 2.104 -10.228 1.00 0.00 C ATOM 2114 CH2 TRP B 78 -18.197 1.271 -11.273 1.00 0.00 C ATOM 2115 OXT TRP B 78 -15.714 2.057 -3.523 1.00 0.00 O ATOM 0 H TRP B 78 -17.359 -0.975 -5.316 1.00 0.00 H new ATOM 0 HA TRP B 78 -14.952 -0.274 -5.671 1.00 0.00 H new ATOM 0 HB2 TRP B 78 -17.351 1.473 -6.042 1.00 0.00 H new ATOM 0 HB3 TRP B 78 -15.791 2.243 -6.254 1.00 0.00 H new ATOM 0 HD1 TRP B 78 -14.609 -0.727 -7.486 1.00 0.00 H new ATOM 0 HE1 TRP B 78 -15.131 -1.246 -9.959 1.00 0.00 H new ATOM 0 HE3 TRP B 78 -18.357 2.651 -8.169 1.00 0.00 H new ATOM 0 HZ2 TRP B 78 -16.891 -0.279 -11.902 1.00 0.00 H new ATOM 0 HZ3 TRP B 78 -19.399 2.825 -10.400 1.00 0.00 H new ATOM 0 HH2 TRP B 78 -18.672 1.354 -12.239 1.00 0.00 H new