USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 860 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 86 TYR OH : rot -158:sc= 0.587 USER MOD Set 1.2: A 98 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.275) USER MOD Set 2.1: A 22 MET CE :methyl 168:sc= -6.37! (180deg=-5.28!) USER MOD Set 2.2: A 74 ASN : amide:sc= -0.534 X(o=-11,f=-10) USER MOD Set 2.3: A 77 TYR OH : rot -15:sc= -3.6! USER MOD Single : A 10 LYS NZ :NH3+ 170:sc= -1.18 (180deg=-1.48) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.151 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 180:sc=0.000705 USER MOD Single : A 39 HIS : no HD1:sc= -2.53 K(o=-2.5,f=-4.2!) USER MOD Single : A 40 CYS SG : rot -137:sc= 0.303 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.291 USER MOD Single : A 48 THR OG1 : rot 62:sc= 0.446 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -157:sc= -0.0643 (180deg=-0.418) USER MOD Single : A 53 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0588) USER MOD Single : A 54 TYR OH : rot 108:sc=-0.00171 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.179 X(o=-0.18,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -112:sc= -0.955 (180deg=-2.97!) USER MOD Single : A 64 LYS NZ :NH3+ -174:sc= -0.58 (180deg=-0.697) USER MOD Single : A 65 MET CE :methyl -112:sc= -0.904 (180deg=-4.16!) USER MOD Single : A 68 THR OG1 : rot -12:sc= -1.32 USER MOD Single : A 70 ASN : amide:sc= 0.0133 X(o=0.013,f=-0.33) USER MOD Single : A 73 THR OG1 : rot 159:sc= 1.15 USER MOD Single : A 76 GLN : amide:sc= -0.978 X(o=-0.98,f=-0.8) USER MOD Single : A 78 LYS NZ :NH3+ 133:sc= -0.105 (180deg=-0.507) USER MOD Single : A 84 THR OG1 : rot -44:sc= 0.631 USER MOD Single : A 90 SER OG : rot -12:sc= 0.974 USER MOD Single : A 93 LYS NZ :NH3+ -169:sc= -0.972! (180deg=-0.997!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 HIS : no HE2:sc= 0.208 K(o=0.21,f=-1) USER MOD Single : A 110 SER OG : rot -107:sc= 1.14 USER MOD Single : A 111 LYS NZ :NH3+ -125:sc= 1.07 (180deg=-0.0899) USER MOD Single : A 116 HIS : no HE2:sc= -13.8! C(o=-14!,f=-15!) USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 8.052 3.912 -12.565 1.00 0.00 N ATOM 67 CA PRO A 8 8.019 2.480 -12.251 1.00 0.00 C ATOM 68 C PRO A 8 6.699 2.056 -11.617 1.00 0.00 C ATOM 69 O PRO A 8 6.179 0.977 -11.903 1.00 0.00 O ATOM 70 CB PRO A 8 9.169 2.309 -11.256 1.00 0.00 C ATOM 71 CG PRO A 8 9.329 3.650 -10.628 1.00 0.00 C ATOM 72 CD PRO A 8 8.980 4.652 -11.694 1.00 0.00 C ATOM 0 HA PRO A 8 8.115 1.864 -13.145 1.00 0.00 H new ATOM 0 HB2 PRO A 8 8.938 1.548 -10.511 1.00 0.00 H new ATOM 0 HB3 PRO A 8 10.084 1.995 -11.759 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.674 3.756 -9.763 1.00 0.00 H new ATOM 0 HG3 PRO A 8 10.350 3.796 -10.275 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.512 5.542 -11.272 1.00 0.00 H new ATOM 0 HD3 PRO A 8 9.864 4.984 -12.238 1.00 0.00 H new ATOM 80 N VAL A 9 6.159 2.912 -10.755 1.00 0.00 N ATOM 81 CA VAL A 9 4.898 2.626 -10.082 1.00 0.00 C ATOM 82 C VAL A 9 3.726 2.708 -11.053 1.00 0.00 C ATOM 83 O VAL A 9 3.626 3.645 -11.846 1.00 0.00 O ATOM 84 CB VAL A 9 4.652 3.600 -8.914 1.00 0.00 C ATOM 85 CG1 VAL A 9 3.471 3.139 -8.074 1.00 0.00 C ATOM 86 CG2 VAL A 9 5.904 3.734 -8.060 1.00 0.00 C ATOM 0 H VAL A 9 6.576 3.809 -10.506 1.00 0.00 H new ATOM 0 HA VAL A 9 4.971 1.611 -9.690 1.00 0.00 H new ATOM 0 HB VAL A 9 4.414 4.581 -9.326 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.312 3.839 -7.254 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.576 3.099 -8.695 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.677 2.148 -7.670 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.713 4.426 -7.240 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.175 2.758 -7.656 1.00 0.00 H new ATOM 0 HG23 VAL A 9 6.723 4.114 -8.671 1.00 0.00 H new ATOM 96 N LYS A 10 2.839 1.721 -10.985 1.00 0.00 N ATOM 97 CA LYS A 10 1.670 1.681 -11.857 1.00 0.00 C ATOM 98 C LYS A 10 0.485 2.390 -11.211 1.00 0.00 C ATOM 99 O LYS A 10 0.179 2.169 -10.039 1.00 0.00 O ATOM 100 CB LYS A 10 1.298 0.232 -12.178 1.00 0.00 C ATOM 101 CG LYS A 10 -0.179 0.034 -12.472 1.00 0.00 C ATOM 102 CD LYS A 10 -0.412 -1.164 -13.377 1.00 0.00 C ATOM 103 CE LYS A 10 -0.366 -0.770 -14.845 1.00 0.00 C ATOM 104 NZ LYS A 10 0.947 -0.177 -15.220 1.00 0.00 N ATOM 0 H LYS A 10 2.907 0.938 -10.335 1.00 0.00 H new ATOM 0 HA LYS A 10 1.920 2.199 -12.783 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.879 -0.101 -13.038 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.581 -0.402 -11.337 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.722 -0.104 -11.537 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.580 0.931 -12.944 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.344 -1.924 -13.179 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.380 -1.611 -13.149 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.558 -1.648 -15.463 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.161 -0.054 -15.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.001 -0.079 -16.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.044 0.759 -14.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.715 -0.797 -14.891 1.00 0.00 H new ATOM 118 N VAL A 11 -0.181 3.243 -11.983 1.00 0.00 N ATOM 119 CA VAL A 11 -1.335 3.983 -11.486 1.00 0.00 C ATOM 120 C VAL A 11 -2.605 3.143 -11.571 1.00 0.00 C ATOM 121 O VAL A 11 -2.833 2.441 -12.556 1.00 0.00 O ATOM 122 CB VAL A 11 -1.545 5.291 -12.273 1.00 0.00 C ATOM 123 CG1 VAL A 11 -1.808 6.449 -11.323 1.00 0.00 C ATOM 124 CG2 VAL A 11 -0.341 5.578 -13.157 1.00 0.00 C ATOM 0 H VAL A 11 0.059 3.439 -12.955 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.131 4.224 -10.443 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.419 5.174 -12.914 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.954 7.364 -11.897 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.703 6.242 -10.736 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.956 6.572 -10.654 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.505 6.505 -13.706 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.550 5.676 -12.537 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.204 4.758 -13.862 1.00 0.00 H new ATOM 134 N VAL A 12 -3.429 3.220 -10.531 1.00 0.00 N ATOM 135 CA VAL A 12 -4.678 2.468 -10.488 1.00 0.00 C ATOM 136 C VAL A 12 -5.845 3.363 -10.088 1.00 0.00 C ATOM 137 O VAL A 12 -5.787 4.061 -9.075 1.00 0.00 O ATOM 138 CB VAL A 12 -4.588 1.288 -9.503 1.00 0.00 C ATOM 139 CG1 VAL A 12 -5.953 0.644 -9.315 1.00 0.00 C ATOM 140 CG2 VAL A 12 -3.570 0.266 -9.986 1.00 0.00 C ATOM 0 H VAL A 12 -3.254 3.795 -9.707 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.850 2.081 -11.492 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.256 1.669 -8.537 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.870 -0.188 -8.616 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.652 1.381 -8.920 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.317 0.276 -10.274 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.520 -0.561 -9.277 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.869 -0.112 -10.964 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.590 0.737 -10.064 1.00 0.00 H new ATOM 150 N VAL A 13 -6.905 3.338 -10.889 1.00 0.00 N ATOM 151 CA VAL A 13 -8.088 4.145 -10.617 1.00 0.00 C ATOM 152 C VAL A 13 -9.222 3.291 -10.061 1.00 0.00 C ATOM 153 O VAL A 13 -9.094 2.073 -9.943 1.00 0.00 O ATOM 154 CB VAL A 13 -8.579 4.866 -11.887 1.00 0.00 C ATOM 155 CG1 VAL A 13 -7.610 5.971 -12.282 1.00 0.00 C ATOM 156 CG2 VAL A 13 -8.762 3.874 -13.025 1.00 0.00 C ATOM 0 H VAL A 13 -6.969 2.767 -11.732 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.799 4.888 -9.874 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.546 5.322 -11.674 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.973 6.469 -13.181 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.534 6.695 -11.471 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.628 5.541 -12.477 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.109 4.400 -13.914 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.811 3.387 -13.240 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.498 3.123 -12.738 1.00 0.00 H new ATOM 166 N GLY A 14 -10.332 3.938 -9.722 1.00 0.00 N ATOM 167 CA GLY A 14 -11.473 3.222 -9.182 1.00 0.00 C ATOM 168 C GLY A 14 -12.106 2.292 -10.198 1.00 0.00 C ATOM 169 O GLY A 14 -13.008 1.521 -9.868 1.00 0.00 O ATOM 0 H GLY A 14 -10.462 4.946 -9.812 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.158 2.645 -8.312 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.218 3.939 -8.836 1.00 0.00 H new ATOM 173 N LYS A 15 -11.635 2.364 -11.438 1.00 0.00 N ATOM 174 CA LYS A 15 -12.161 1.522 -12.506 1.00 0.00 C ATOM 175 C LYS A 15 -11.249 0.325 -12.755 1.00 0.00 C ATOM 176 O LYS A 15 -11.647 -0.652 -13.390 1.00 0.00 O ATOM 177 CB LYS A 15 -12.316 2.334 -13.794 1.00 0.00 C ATOM 178 CG LYS A 15 -11.087 2.300 -14.686 1.00 0.00 C ATOM 179 CD LYS A 15 -10.991 3.547 -15.550 1.00 0.00 C ATOM 180 CE LYS A 15 -11.866 3.435 -16.789 1.00 0.00 C ATOM 181 NZ LYS A 15 -11.203 2.650 -17.867 1.00 0.00 N ATOM 0 H LYS A 15 -10.890 2.997 -11.728 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.139 1.153 -12.195 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.171 1.953 -14.353 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -12.539 3.369 -13.536 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.192 2.213 -14.070 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.123 1.416 -15.323 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -11.292 4.418 -14.968 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.955 3.705 -15.848 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -12.812 2.962 -16.524 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -12.101 4.433 -17.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.831 2.597 -18.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.313 3.115 -18.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.001 1.690 -17.523 1.00 0.00 H new ATOM 195 N THR A 16 -10.022 0.406 -12.249 1.00 0.00 N ATOM 196 CA THR A 16 -9.054 -0.670 -12.415 1.00 0.00 C ATOM 197 C THR A 16 -8.467 -1.094 -11.074 1.00 0.00 C ATOM 198 O THR A 16 -7.416 -1.733 -11.018 1.00 0.00 O ATOM 199 CB THR A 16 -7.907 -0.254 -13.355 1.00 0.00 C ATOM 200 OG1 THR A 16 -7.248 0.908 -12.839 1.00 0.00 O ATOM 201 CG2 THR A 16 -8.431 0.035 -14.754 1.00 0.00 C ATOM 0 H THR A 16 -9.676 1.207 -11.720 1.00 0.00 H new ATOM 0 HA THR A 16 -9.590 -1.511 -12.856 1.00 0.00 H new ATOM 0 HB THR A 16 -7.197 -1.079 -13.413 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.519 1.165 -13.441 1.00 0.00 H new ATOM 0 HG21 THR A 16 -7.603 0.327 -15.400 1.00 0.00 H new ATOM 0 HG22 THR A 16 -8.907 -0.859 -15.156 1.00 0.00 H new ATOM 0 HG23 THR A 16 -9.159 0.845 -14.710 1.00 0.00 H new ATOM 209 N PHE A 17 -9.153 -0.736 -9.993 1.00 0.00 N ATOM 210 CA PHE A 17 -8.699 -1.080 -8.651 1.00 0.00 C ATOM 211 C PHE A 17 -8.969 -2.550 -8.345 1.00 0.00 C ATOM 212 O PHE A 17 -8.046 -3.317 -8.069 1.00 0.00 O ATOM 213 CB PHE A 17 -9.394 -0.196 -7.613 1.00 0.00 C ATOM 214 CG PHE A 17 -9.002 -0.513 -6.198 1.00 0.00 C ATOM 215 CD1 PHE A 17 -9.552 -1.601 -5.539 1.00 0.00 C ATOM 216 CD2 PHE A 17 -8.085 0.279 -5.525 1.00 0.00 C ATOM 217 CE1 PHE A 17 -9.194 -1.895 -4.237 1.00 0.00 C ATOM 218 CE2 PHE A 17 -7.722 -0.011 -4.223 1.00 0.00 C ATOM 219 CZ PHE A 17 -8.278 -1.099 -3.578 1.00 0.00 C ATOM 0 H PHE A 17 -10.025 -0.208 -10.021 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.624 -0.909 -8.603 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.160 0.848 -7.821 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -10.473 -0.308 -7.716 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.269 -2.227 -6.049 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -7.649 1.132 -6.023 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -9.630 -2.746 -3.735 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.004 0.612 -3.710 1.00 0.00 H new ATOM 0 HZ PHE A 17 -7.997 -1.326 -2.560 1.00 0.00 H new ATOM 229 N ASP A 18 -10.239 -2.936 -8.397 1.00 0.00 N ATOM 230 CA ASP A 18 -10.631 -4.314 -8.126 1.00 0.00 C ATOM 231 C ASP A 18 -10.072 -5.256 -9.187 1.00 0.00 C ATOM 232 O ASP A 18 -10.196 -6.476 -9.076 1.00 0.00 O ATOM 233 CB ASP A 18 -12.155 -4.432 -8.074 1.00 0.00 C ATOM 234 CG ASP A 18 -12.716 -4.095 -6.707 1.00 0.00 C ATOM 235 OD1 ASP A 18 -12.168 -4.594 -5.702 1.00 0.00 O ATOM 236 OD2 ASP A 18 -13.703 -3.333 -6.641 1.00 0.00 O ATOM 0 H ASP A 18 -11.015 -2.314 -8.624 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.219 -4.600 -7.158 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -12.593 -3.766 -8.817 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -12.447 -5.447 -8.343 1.00 0.00 H new ATOM 241 N ALA A 19 -9.456 -4.683 -10.215 1.00 0.00 N ATOM 242 CA ALA A 19 -8.876 -5.471 -11.296 1.00 0.00 C ATOM 243 C ALA A 19 -7.378 -5.667 -11.090 1.00 0.00 C ATOM 244 O ALA A 19 -6.858 -6.771 -11.257 1.00 0.00 O ATOM 245 CB ALA A 19 -9.144 -4.805 -12.637 1.00 0.00 C ATOM 0 H ALA A 19 -9.345 -3.675 -10.322 1.00 0.00 H new ATOM 0 HA ALA A 19 -9.348 -6.453 -11.290 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -8.705 -5.404 -13.435 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -10.220 -4.723 -12.794 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.699 -3.810 -12.644 1.00 0.00 H new ATOM 251 N ILE A 20 -6.690 -4.590 -10.727 1.00 0.00 N ATOM 252 CA ILE A 20 -5.251 -4.645 -10.499 1.00 0.00 C ATOM 253 C ILE A 20 -4.937 -4.830 -9.018 1.00 0.00 C ATOM 254 O ILE A 20 -4.484 -5.894 -8.597 1.00 0.00 O ATOM 255 CB ILE A 20 -4.552 -3.369 -11.005 1.00 0.00 C ATOM 256 CG1 ILE A 20 -4.606 -3.304 -12.533 1.00 0.00 C ATOM 257 CG2 ILE A 20 -3.111 -3.327 -10.519 1.00 0.00 C ATOM 258 CD1 ILE A 20 -4.392 -1.912 -13.086 1.00 0.00 C ATOM 0 H ILE A 20 -7.105 -3.669 -10.584 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.875 -5.502 -11.058 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.076 -2.501 -10.604 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.848 -3.970 -12.944 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.573 -3.676 -12.871 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.630 -2.420 -10.885 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.094 -3.333 -9.429 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.575 -4.198 -10.895 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.443 -1.941 -14.174 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.165 -1.246 -12.704 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -3.413 -1.545 -12.779 1.00 0.00 H new ATOM 270 N VAL A 21 -5.181 -3.787 -8.232 1.00 0.00 N ATOM 271 CA VAL A 21 -4.927 -3.835 -6.797 1.00 0.00 C ATOM 272 C VAL A 21 -5.514 -5.098 -6.177 1.00 0.00 C ATOM 273 O VAL A 21 -5.101 -5.521 -5.097 1.00 0.00 O ATOM 274 CB VAL A 21 -5.516 -2.604 -6.081 1.00 0.00 C ATOM 275 CG1 VAL A 21 -5.232 -2.669 -4.588 1.00 0.00 C ATOM 276 CG2 VAL A 21 -4.960 -1.322 -6.683 1.00 0.00 C ATOM 0 H VAL A 21 -5.554 -2.898 -8.565 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.845 -3.839 -6.667 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.597 -2.605 -6.221 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.655 -1.792 -4.099 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.682 -3.570 -4.171 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.155 -2.692 -4.423 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.386 -0.462 -6.166 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.875 -1.310 -6.575 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.219 -1.274 -7.741 1.00 0.00 H new ATOM 286 N MET A 22 -6.478 -5.697 -6.868 1.00 0.00 N ATOM 287 CA MET A 22 -7.120 -6.914 -6.385 1.00 0.00 C ATOM 288 C MET A 22 -6.795 -8.096 -7.292 1.00 0.00 C ATOM 289 O MET A 22 -7.629 -8.978 -7.501 1.00 0.00 O ATOM 290 CB MET A 22 -8.636 -6.719 -6.305 1.00 0.00 C ATOM 291 CG MET A 22 -9.068 -5.759 -5.209 1.00 0.00 C ATOM 292 SD MET A 22 -8.846 -6.445 -3.556 1.00 0.00 S ATOM 293 CE MET A 22 -8.237 -5.011 -2.673 1.00 0.00 C ATOM 0 H MET A 22 -6.832 -5.360 -7.763 1.00 0.00 H new ATOM 0 HA MET A 22 -6.735 -7.127 -5.388 1.00 0.00 H new ATOM 0 HB2 MET A 22 -8.998 -6.349 -7.264 1.00 0.00 H new ATOM 0 HB3 MET A 22 -9.110 -7.686 -6.137 1.00 0.00 H new ATOM 0 HG2 MET A 22 -8.496 -4.835 -5.294 1.00 0.00 H new ATOM 0 HG3 MET A 22 -10.117 -5.499 -5.352 1.00 0.00 H new ATOM 0 HE1 MET A 22 -8.254 -5.209 -1.601 1.00 0.00 H new ATOM 0 HE2 MET A 22 -7.215 -4.797 -2.987 1.00 0.00 H new ATOM 0 HE3 MET A 22 -8.871 -4.152 -2.893 1.00 0.00 H new ATOM 303 N ASP A 23 -5.580 -8.108 -7.829 1.00 0.00 N ATOM 304 CA ASP A 23 -5.145 -9.183 -8.714 1.00 0.00 C ATOM 305 C ASP A 23 -4.758 -10.422 -7.913 1.00 0.00 C ATOM 306 O ASP A 23 -3.754 -10.442 -7.201 1.00 0.00 O ATOM 307 CB ASP A 23 -3.963 -8.722 -9.568 1.00 0.00 C ATOM 308 CG ASP A 23 -4.398 -8.199 -10.923 1.00 0.00 C ATOM 309 OD1 ASP A 23 -5.428 -8.678 -11.442 1.00 0.00 O ATOM 310 OD2 ASP A 23 -3.708 -7.310 -11.464 1.00 0.00 O ATOM 0 H ASP A 23 -4.879 -7.385 -7.667 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.977 -9.441 -9.369 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.418 -7.941 -9.038 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.273 -9.554 -9.707 1.00 0.00 H new ATOM 315 N PRO A 24 -5.572 -11.481 -8.030 1.00 0.00 N ATOM 316 CA PRO A 24 -5.336 -12.744 -7.324 1.00 0.00 C ATOM 317 C PRO A 24 -4.123 -13.493 -7.866 1.00 0.00 C ATOM 318 O PRO A 24 -3.739 -14.538 -7.340 1.00 0.00 O ATOM 319 CB PRO A 24 -6.617 -13.541 -7.583 1.00 0.00 C ATOM 320 CG PRO A 24 -7.158 -12.985 -8.855 1.00 0.00 C ATOM 321 CD PRO A 24 -6.787 -11.528 -8.861 1.00 0.00 C ATOM 0 HA PRO A 24 -5.123 -12.586 -6.267 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.409 -14.607 -7.674 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -7.328 -13.424 -6.765 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.734 -13.499 -9.717 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.239 -13.113 -8.908 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.597 -11.166 -9.871 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.582 -10.909 -8.445 1.00 0.00 H new ATOM 329 N LYS A 25 -3.523 -12.953 -8.922 1.00 0.00 N ATOM 330 CA LYS A 25 -2.353 -13.568 -9.536 1.00 0.00 C ATOM 331 C LYS A 25 -1.075 -13.136 -8.824 1.00 0.00 C ATOM 332 O LYS A 25 -0.147 -13.927 -8.657 1.00 0.00 O ATOM 333 CB LYS A 25 -2.274 -13.197 -11.018 1.00 0.00 C ATOM 334 CG LYS A 25 -3.351 -13.851 -11.867 1.00 0.00 C ATOM 335 CD LYS A 25 -2.859 -15.145 -12.493 1.00 0.00 C ATOM 336 CE LYS A 25 -4.009 -16.095 -12.788 1.00 0.00 C ATOM 337 NZ LYS A 25 -4.336 -16.952 -11.615 1.00 0.00 N ATOM 0 H LYS A 25 -3.829 -12.089 -9.370 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.452 -14.650 -9.444 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.352 -12.114 -11.118 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.295 -13.483 -11.404 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.227 -14.054 -11.252 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.665 -13.163 -12.652 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.323 -14.923 -13.416 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.150 -15.628 -11.821 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.890 -15.521 -13.075 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.750 -16.726 -13.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.125 -17.585 -11.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.503 -17.519 -11.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.608 -16.351 -10.811 1.00 0.00 H new ATOM 351 N LYS A 26 -1.033 -11.875 -8.406 1.00 0.00 N ATOM 352 CA LYS A 26 0.130 -11.337 -7.710 1.00 0.00 C ATOM 353 C LYS A 26 -0.291 -10.319 -6.655 1.00 0.00 C ATOM 354 O LYS A 26 -1.364 -9.723 -6.747 1.00 0.00 O ATOM 355 CB LYS A 26 1.091 -10.687 -8.707 1.00 0.00 C ATOM 356 CG LYS A 26 0.391 -9.984 -9.857 1.00 0.00 C ATOM 357 CD LYS A 26 1.326 -9.026 -10.577 1.00 0.00 C ATOM 358 CE LYS A 26 2.057 -9.714 -11.719 1.00 0.00 C ATOM 359 NZ LYS A 26 1.276 -9.667 -12.986 1.00 0.00 N ATOM 0 H LYS A 26 -1.792 -11.206 -8.537 1.00 0.00 H new ATOM 0 HA LYS A 26 0.638 -12.162 -7.211 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.717 -9.967 -8.179 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.755 -11.452 -9.110 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.014 -10.725 -10.562 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.472 -9.436 -9.479 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.756 -8.182 -10.965 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.051 -8.623 -9.870 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.025 -9.236 -11.871 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.253 -10.752 -11.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.808 -10.146 -13.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.363 -10.145 -12.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.111 -8.676 -13.255 1.00 0.00 H new ATOM 373 N ASP A 27 0.562 -10.123 -5.656 1.00 0.00 N ATOM 374 CA ASP A 27 0.280 -9.174 -4.585 1.00 0.00 C ATOM 375 C ASP A 27 0.562 -7.744 -5.037 1.00 0.00 C ATOM 376 O ASP A 27 1.708 -7.381 -5.302 1.00 0.00 O ATOM 377 CB ASP A 27 1.116 -9.505 -3.348 1.00 0.00 C ATOM 378 CG ASP A 27 1.365 -10.993 -3.199 1.00 0.00 C ATOM 379 OD1 ASP A 27 1.838 -11.616 -4.172 1.00 0.00 O ATOM 380 OD2 ASP A 27 1.088 -11.534 -2.108 1.00 0.00 O ATOM 0 H ASP A 27 1.454 -10.608 -5.565 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.777 -9.254 -4.332 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.071 -8.984 -3.409 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.606 -9.134 -2.459 1.00 0.00 H new ATOM 385 N VAL A 28 -0.491 -6.938 -5.124 1.00 0.00 N ATOM 386 CA VAL A 28 -0.357 -5.548 -5.544 1.00 0.00 C ATOM 387 C VAL A 28 -0.391 -4.606 -4.346 1.00 0.00 C ATOM 388 O VAL A 28 -1.327 -4.635 -3.546 1.00 0.00 O ATOM 389 CB VAL A 28 -1.472 -5.149 -6.529 1.00 0.00 C ATOM 390 CG1 VAL A 28 -1.361 -3.677 -6.894 1.00 0.00 C ATOM 391 CG2 VAL A 28 -1.419 -6.021 -7.775 1.00 0.00 C ATOM 0 H VAL A 28 -1.446 -7.223 -4.909 1.00 0.00 H new ATOM 0 HA VAL A 28 0.608 -5.460 -6.044 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.435 -5.306 -6.043 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.157 -3.414 -7.591 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.452 -3.071 -5.993 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.394 -3.490 -7.361 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.214 -5.725 -8.460 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.453 -5.897 -8.265 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.552 -7.066 -7.494 1.00 0.00 H new ATOM 401 N LEU A 29 0.636 -3.771 -4.228 1.00 0.00 N ATOM 402 CA LEU A 29 0.724 -2.818 -3.127 1.00 0.00 C ATOM 403 C LEU A 29 0.155 -1.463 -3.533 1.00 0.00 C ATOM 404 O LEU A 29 0.795 -0.703 -4.261 1.00 0.00 O ATOM 405 CB LEU A 29 2.178 -2.660 -2.678 1.00 0.00 C ATOM 406 CG LEU A 29 2.421 -1.696 -1.516 1.00 0.00 C ATOM 407 CD1 LEU A 29 1.968 -2.317 -0.204 1.00 0.00 C ATOM 408 CD2 LEU A 29 3.890 -1.306 -1.446 1.00 0.00 C ATOM 0 H LEU A 29 1.419 -3.735 -4.881 1.00 0.00 H new ATOM 0 HA LEU A 29 0.134 -3.205 -2.296 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.559 -3.641 -2.395 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.766 -2.324 -3.532 1.00 0.00 H new ATOM 0 HG LEU A 29 1.834 -0.794 -1.688 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.149 -1.617 0.612 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.903 -2.545 -0.258 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.527 -3.235 -0.024 1.00 0.00 H new ATOM 0 HD21 LEU A 29 4.045 -0.620 -0.614 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.497 -2.199 -1.298 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.182 -0.819 -2.377 1.00 0.00 H new ATOM 420 N ILE A 30 -1.049 -1.165 -3.056 1.00 0.00 N ATOM 421 CA ILE A 30 -1.702 0.101 -3.367 1.00 0.00 C ATOM 422 C ILE A 30 -1.368 1.162 -2.325 1.00 0.00 C ATOM 423 O ILE A 30 -1.437 0.908 -1.123 1.00 0.00 O ATOM 424 CB ILE A 30 -3.231 -0.060 -3.449 1.00 0.00 C ATOM 425 CG1 ILE A 30 -3.869 1.203 -4.032 1.00 0.00 C ATOM 426 CG2 ILE A 30 -3.806 -0.363 -2.073 1.00 0.00 C ATOM 427 CD1 ILE A 30 -3.443 1.493 -5.454 1.00 0.00 C ATOM 0 H ILE A 30 -1.592 -1.783 -2.453 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.326 0.420 -4.339 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.458 -0.897 -4.109 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.954 1.101 -4.000 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.610 2.055 -3.403 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.888 -0.474 -2.147 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.371 -1.287 -1.693 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.571 0.455 -1.392 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.934 2.402 -5.803 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.362 1.628 -5.490 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.726 0.659 -6.096 1.00 0.00 H new ATOM 439 N GLU A 31 -1.008 2.352 -2.795 1.00 0.00 N ATOM 440 CA GLU A 31 -0.665 3.453 -1.902 1.00 0.00 C ATOM 441 C GLU A 31 -1.562 4.661 -2.157 1.00 0.00 C ATOM 442 O GLU A 31 -1.377 5.391 -3.132 1.00 0.00 O ATOM 443 CB GLU A 31 0.803 3.847 -2.082 1.00 0.00 C ATOM 444 CG GLU A 31 1.232 5.012 -1.206 1.00 0.00 C ATOM 445 CD GLU A 31 2.684 5.396 -1.418 1.00 0.00 C ATOM 446 OE1 GLU A 31 3.568 4.678 -0.906 1.00 0.00 O ATOM 447 OE2 GLU A 31 2.936 6.415 -2.095 1.00 0.00 O ATOM 0 H GLU A 31 -0.946 2.578 -3.788 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.821 3.117 -0.877 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.432 2.985 -1.859 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.976 4.106 -3.127 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.598 5.873 -1.416 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.078 4.751 -0.159 1.00 0.00 H new ATOM 454 N PHE A 32 -2.535 4.865 -1.275 1.00 0.00 N ATOM 455 CA PHE A 32 -3.462 5.983 -1.405 1.00 0.00 C ATOM 456 C PHE A 32 -2.796 7.293 -0.996 1.00 0.00 C ATOM 457 O PHE A 32 -2.551 7.536 0.186 1.00 0.00 O ATOM 458 CB PHE A 32 -4.707 5.742 -0.549 1.00 0.00 C ATOM 459 CG PHE A 32 -5.363 4.416 -0.804 1.00 0.00 C ATOM 460 CD1 PHE A 32 -5.770 4.064 -2.081 1.00 0.00 C ATOM 461 CD2 PHE A 32 -5.573 3.521 0.232 1.00 0.00 C ATOM 462 CE1 PHE A 32 -6.374 2.844 -2.320 1.00 0.00 C ATOM 463 CE2 PHE A 32 -6.176 2.299 -0.001 1.00 0.00 C ATOM 464 CZ PHE A 32 -6.578 1.960 -1.278 1.00 0.00 C ATOM 0 H PHE A 32 -2.702 4.271 -0.463 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.757 6.058 -2.452 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -4.432 5.806 0.504 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -5.428 6.537 -0.739 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -5.613 4.751 -2.899 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.262 3.781 1.233 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.686 2.582 -3.320 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.333 1.610 0.815 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.051 1.006 -1.462 1.00 0.00 H new ATOM 474 N TYR A 33 -2.504 8.134 -1.982 1.00 0.00 N ATOM 475 CA TYR A 33 -1.863 9.418 -1.727 1.00 0.00 C ATOM 476 C TYR A 33 -2.846 10.568 -1.925 1.00 0.00 C ATOM 477 O TYR A 33 -3.885 10.407 -2.566 1.00 0.00 O ATOM 478 CB TYR A 33 -0.655 9.602 -2.648 1.00 0.00 C ATOM 479 CG TYR A 33 -1.023 9.739 -4.108 1.00 0.00 C ATOM 480 CD1 TYR A 33 -1.571 10.918 -4.599 1.00 0.00 C ATOM 481 CD2 TYR A 33 -0.823 8.690 -4.997 1.00 0.00 C ATOM 482 CE1 TYR A 33 -1.909 11.048 -5.932 1.00 0.00 C ATOM 483 CE2 TYR A 33 -1.156 8.811 -6.332 1.00 0.00 C ATOM 484 CZ TYR A 33 -1.700 9.992 -6.794 1.00 0.00 C ATOM 485 OH TYR A 33 -2.035 10.116 -8.123 1.00 0.00 O ATOM 0 H TYR A 33 -2.701 7.949 -2.966 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.526 9.426 -0.690 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.103 10.488 -2.336 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.015 8.751 -2.529 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.735 11.747 -3.927 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.400 7.764 -4.638 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -2.334 11.971 -6.297 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.992 7.987 -7.010 1.00 0.00 H new ATOM 0 HH TYR A 33 -1.823 9.283 -8.593 1.00 0.00 H new ATOM 495 N ALA A 34 -2.511 11.728 -1.370 1.00 0.00 N ATOM 496 CA ALA A 34 -3.362 12.905 -1.487 1.00 0.00 C ATOM 497 C ALA A 34 -2.619 14.054 -2.161 1.00 0.00 C ATOM 498 O ALA A 34 -1.516 14.430 -1.765 1.00 0.00 O ATOM 499 CB ALA A 34 -3.865 13.331 -0.116 1.00 0.00 C ATOM 0 H ALA A 34 -1.656 11.878 -0.835 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.217 12.644 -2.110 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.499 14.211 -0.219 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.440 12.519 0.329 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.016 13.568 0.525 1.00 0.00 H new ATOM 505 N PRO A 35 -3.237 14.627 -3.206 1.00 0.00 N ATOM 506 CA PRO A 35 -2.652 15.741 -3.957 1.00 0.00 C ATOM 507 C PRO A 35 -2.616 17.032 -3.145 1.00 0.00 C ATOM 508 O PRO A 35 -2.144 18.063 -3.623 1.00 0.00 O ATOM 509 CB PRO A 35 -3.590 15.891 -5.157 1.00 0.00 C ATOM 510 CG PRO A 35 -4.892 15.338 -4.691 1.00 0.00 C ATOM 511 CD PRO A 35 -4.553 14.230 -3.733 1.00 0.00 C ATOM 0 HA PRO A 35 -1.615 15.548 -4.231 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -3.687 16.935 -5.455 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -3.215 15.345 -6.023 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -5.490 16.107 -4.202 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -5.479 14.963 -5.529 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -5.295 14.144 -2.939 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -4.510 13.263 -4.235 1.00 0.00 H new ATOM 519 N TRP A 36 -3.116 16.967 -1.917 1.00 0.00 N ATOM 520 CA TRP A 36 -3.141 18.131 -1.039 1.00 0.00 C ATOM 521 C TRP A 36 -2.352 17.865 0.239 1.00 0.00 C ATOM 522 O TRP A 36 -2.511 18.572 1.235 1.00 0.00 O ATOM 523 CB TRP A 36 -4.583 18.506 -0.694 1.00 0.00 C ATOM 524 CG TRP A 36 -5.472 17.317 -0.487 1.00 0.00 C ATOM 525 CD1 TRP A 36 -6.387 16.814 -1.368 1.00 0.00 C ATOM 526 CD2 TRP A 36 -5.533 16.484 0.676 1.00 0.00 C ATOM 527 NE1 TRP A 36 -7.012 15.719 -0.823 1.00 0.00 N ATOM 528 CE2 TRP A 36 -6.505 15.495 0.430 1.00 0.00 C ATOM 529 CE3 TRP A 36 -4.859 16.476 1.900 1.00 0.00 C ATOM 530 CZ2 TRP A 36 -6.819 14.512 1.364 1.00 0.00 C ATOM 531 CZ3 TRP A 36 -5.171 15.500 2.826 1.00 0.00 C ATOM 532 CH2 TRP A 36 -6.143 14.528 2.554 1.00 0.00 C ATOM 0 H TRP A 36 -3.510 16.120 -1.506 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.674 18.963 -1.566 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.586 19.115 0.210 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.992 19.122 -1.495 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -6.589 17.218 -2.349 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.736 15.163 -1.277 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.107 17.220 2.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -7.569 13.763 1.157 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.657 15.486 3.776 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -6.363 13.777 3.298 1.00 0.00 H new ATOM 543 N CYS A 37 -1.503 16.845 0.204 1.00 0.00 N ATOM 544 CA CYS A 37 -0.690 16.487 1.360 1.00 0.00 C ATOM 545 C CYS A 37 0.788 16.748 1.088 1.00 0.00 C ATOM 546 O CYS A 37 1.282 16.494 -0.009 1.00 0.00 O ATOM 547 CB CYS A 37 -0.901 15.016 1.723 1.00 0.00 C ATOM 548 SG CYS A 37 -0.057 14.499 3.236 1.00 0.00 S ATOM 0 H CYS A 37 -1.360 16.251 -0.613 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.002 17.110 2.198 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.969 14.830 1.834 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.554 14.396 0.896 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.298 13.241 3.459 1.00 0.00 H new ATOM 554 N GLY A 38 1.489 17.260 2.096 1.00 0.00 N ATOM 555 CA GLY A 38 2.903 17.549 1.945 1.00 0.00 C ATOM 556 C GLY A 38 3.759 16.299 1.992 1.00 0.00 C ATOM 557 O GLY A 38 4.754 16.192 1.275 1.00 0.00 O ATOM 0 H GLY A 38 1.102 17.480 3.014 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.067 18.062 0.997 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.218 18.231 2.735 1.00 0.00 H new ATOM 561 N HIS A 39 3.373 15.351 2.840 1.00 0.00 N ATOM 562 CA HIS A 39 4.113 14.102 2.979 1.00 0.00 C ATOM 563 C HIS A 39 4.238 13.392 1.634 1.00 0.00 C ATOM 564 O HIS A 39 5.341 13.212 1.116 1.00 0.00 O ATOM 565 CB HIS A 39 3.424 13.186 3.990 1.00 0.00 C ATOM 566 CG HIS A 39 4.222 11.966 4.334 1.00 0.00 C ATOM 567 ND1 HIS A 39 4.539 10.989 3.413 1.00 0.00 N ATOM 568 CD2 HIS A 39 4.769 11.567 5.506 1.00 0.00 C ATOM 569 CE1 HIS A 39 5.245 10.042 4.005 1.00 0.00 C ATOM 570 NE2 HIS A 39 5.399 10.369 5.275 1.00 0.00 N ATOM 0 H HIS A 39 2.552 15.424 3.441 1.00 0.00 H new ATOM 0 HA HIS A 39 5.114 14.340 3.339 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.225 13.749 4.902 1.00 0.00 H new ATOM 0 HB3 HIS A 39 2.458 12.877 3.589 1.00 0.00 H new ATOM 0 HD2 HIS A 39 4.719 12.093 6.448 1.00 0.00 H new ATOM 0 HE1 HIS A 39 5.631 9.152 3.531 1.00 0.00 H new ATOM 0 HE2 HIS A 39 5.904 9.821 5.971 1.00 0.00 H new ATOM 579 N CYS A 40 3.102 12.990 1.075 1.00 0.00 N ATOM 580 CA CYS A 40 3.084 12.298 -0.209 1.00 0.00 C ATOM 581 C CYS A 40 4.145 12.866 -1.147 1.00 0.00 C ATOM 582 O CYS A 40 4.767 12.132 -1.915 1.00 0.00 O ATOM 583 CB CYS A 40 1.702 12.411 -0.854 1.00 0.00 C ATOM 584 SG CYS A 40 1.408 13.982 -1.699 1.00 0.00 S ATOM 0 H CYS A 40 2.181 13.131 1.491 1.00 0.00 H new ATOM 0 HA CYS A 40 3.308 11.246 -0.030 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.579 11.598 -1.569 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.942 12.277 -0.085 1.00 0.00 H new ATOM 0 HG CYS A 40 0.209 14.404 -1.426 1.00 0.00 H new ATOM 590 N LYS A 41 4.345 14.177 -1.080 1.00 0.00 N ATOM 591 CA LYS A 41 5.329 14.845 -1.923 1.00 0.00 C ATOM 592 C LYS A 41 6.736 14.334 -1.628 1.00 0.00 C ATOM 593 O LYS A 41 7.505 14.045 -2.543 1.00 0.00 O ATOM 594 CB LYS A 41 5.270 16.360 -1.709 1.00 0.00 C ATOM 595 CG LYS A 41 3.860 16.894 -1.530 1.00 0.00 C ATOM 596 CD LYS A 41 3.764 18.358 -1.926 1.00 0.00 C ATOM 597 CE LYS A 41 4.467 19.255 -0.919 1.00 0.00 C ATOM 598 NZ LYS A 41 5.008 20.488 -1.556 1.00 0.00 N ATOM 0 H LYS A 41 3.838 14.799 -0.450 1.00 0.00 H new ATOM 0 HA LYS A 41 5.091 14.621 -2.963 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.861 16.618 -0.830 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.732 16.857 -2.562 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.168 16.307 -2.134 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.555 16.777 -0.490 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.207 18.499 -2.912 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.716 18.647 -2.003 1.00 0.00 H new ATOM 0 HE2 LYS A 41 3.769 19.531 -0.129 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.280 18.703 -0.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.479 21.072 -0.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.694 20.226 -2.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.229 21.028 -1.984 1.00 0.00 H new ATOM 612 N GLN A 42 7.062 14.223 -0.344 1.00 0.00 N ATOM 613 CA GLN A 42 8.376 13.746 0.071 1.00 0.00 C ATOM 614 C GLN A 42 8.515 12.248 -0.181 1.00 0.00 C ATOM 615 O GLN A 42 9.624 11.736 -0.344 1.00 0.00 O ATOM 616 CB GLN A 42 8.608 14.049 1.552 1.00 0.00 C ATOM 617 CG GLN A 42 8.171 12.927 2.479 1.00 0.00 C ATOM 618 CD GLN A 42 8.463 13.225 3.936 1.00 0.00 C ATOM 619 OE1 GLN A 42 7.825 14.083 4.546 1.00 0.00 O ATOM 620 NE2 GLN A 42 9.433 12.517 4.503 1.00 0.00 N ATOM 0 H GLN A 42 6.435 14.457 0.426 1.00 0.00 H new ATOM 0 HA GLN A 42 9.128 14.268 -0.521 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.668 14.249 1.712 1.00 0.00 H new ATOM 0 HB3 GLN A 42 8.069 14.958 1.817 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.102 12.754 2.355 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.678 12.006 2.192 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.936 11.815 3.960 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.675 12.675 5.481 1.00 0.00 H new ATOM 629 N LEU A 43 7.385 11.551 -0.213 1.00 0.00 N ATOM 630 CA LEU A 43 7.380 10.111 -0.445 1.00 0.00 C ATOM 631 C LEU A 43 7.275 9.800 -1.935 1.00 0.00 C ATOM 632 O LEU A 43 7.580 8.690 -2.370 1.00 0.00 O ATOM 633 CB LEU A 43 6.221 9.456 0.308 1.00 0.00 C ATOM 634 CG LEU A 43 6.081 7.943 0.141 1.00 0.00 C ATOM 635 CD1 LEU A 43 7.199 7.220 0.877 1.00 0.00 C ATOM 636 CD2 LEU A 43 4.722 7.474 0.640 1.00 0.00 C ATOM 0 H LEU A 43 6.460 11.960 -0.081 1.00 0.00 H new ATOM 0 HA LEU A 43 8.321 9.705 -0.073 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.334 9.675 1.370 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.292 9.925 -0.017 1.00 0.00 H new ATOM 0 HG LEU A 43 6.158 7.705 -0.920 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.084 6.144 0.747 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.162 7.533 0.474 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.154 7.464 1.938 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.641 6.394 0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.616 7.724 1.696 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.935 7.967 0.069 1.00 0.00 H new ATOM 648 N GLU A 44 6.842 10.788 -2.711 1.00 0.00 N ATOM 649 CA GLU A 44 6.697 10.619 -4.152 1.00 0.00 C ATOM 650 C GLU A 44 7.876 9.840 -4.729 1.00 0.00 C ATOM 651 O GLU A 44 7.716 8.777 -5.329 1.00 0.00 O ATOM 652 CB GLU A 44 6.587 11.982 -4.839 1.00 0.00 C ATOM 653 CG GLU A 44 5.155 12.443 -5.050 1.00 0.00 C ATOM 654 CD GLU A 44 5.004 13.341 -6.263 1.00 0.00 C ATOM 655 OE1 GLU A 44 5.212 12.851 -7.393 1.00 0.00 O ATOM 656 OE2 GLU A 44 4.679 14.533 -6.083 1.00 0.00 O ATOM 0 H GLU A 44 6.586 11.713 -2.367 1.00 0.00 H new ATOM 0 HA GLU A 44 5.784 10.053 -4.336 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.114 12.725 -4.241 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.091 11.935 -5.805 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.510 11.572 -5.165 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.815 12.977 -4.163 1.00 0.00 H new ATOM 663 N PRO A 45 9.089 10.381 -4.545 1.00 0.00 N ATOM 664 CA PRO A 45 10.319 9.755 -5.040 1.00 0.00 C ATOM 665 C PRO A 45 10.665 8.478 -4.281 1.00 0.00 C ATOM 666 O PRO A 45 11.076 7.482 -4.877 1.00 0.00 O ATOM 667 CB PRO A 45 11.385 10.826 -4.799 1.00 0.00 C ATOM 668 CG PRO A 45 10.849 11.647 -3.677 1.00 0.00 C ATOM 669 CD PRO A 45 9.355 11.646 -3.840 1.00 0.00 C ATOM 0 HA PRO A 45 10.230 9.451 -6.083 1.00 0.00 H new ATOM 0 HB2 PRO A 45 12.344 10.379 -4.539 1.00 0.00 H new ATOM 0 HB3 PRO A 45 11.547 11.432 -5.691 1.00 0.00 H new ATOM 0 HG2 PRO A 45 11.137 11.226 -2.714 1.00 0.00 H new ATOM 0 HG3 PRO A 45 11.245 12.662 -3.712 1.00 0.00 H new ATOM 0 HD2 PRO A 45 8.846 11.684 -2.877 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.013 12.506 -4.415 1.00 0.00 H new ATOM 677 N ILE A 46 10.495 8.515 -2.963 1.00 0.00 N ATOM 678 CA ILE A 46 10.788 7.360 -2.123 1.00 0.00 C ATOM 679 C ILE A 46 10.026 6.128 -2.598 1.00 0.00 C ATOM 680 O ILE A 46 10.549 5.013 -2.572 1.00 0.00 O ATOM 681 CB ILE A 46 10.435 7.632 -0.649 1.00 0.00 C ATOM 682 CG1 ILE A 46 11.315 8.752 -0.090 1.00 0.00 C ATOM 683 CG2 ILE A 46 10.594 6.364 0.176 1.00 0.00 C ATOM 684 CD1 ILE A 46 10.736 9.417 1.140 1.00 0.00 C ATOM 0 H ILE A 46 10.156 9.332 -2.454 1.00 0.00 H new ATOM 0 HA ILE A 46 11.859 7.175 -2.203 1.00 0.00 H new ATOM 0 HB ILE A 46 9.394 7.951 -0.592 1.00 0.00 H new ATOM 0 HG12 ILE A 46 12.296 8.345 0.155 1.00 0.00 H new ATOM 0 HG13 ILE A 46 11.466 9.505 -0.863 1.00 0.00 H new ATOM 0 HG21 ILE A 46 10.341 6.572 1.216 1.00 0.00 H new ATOM 0 HG22 ILE A 46 9.929 5.592 -0.212 1.00 0.00 H new ATOM 0 HG23 ILE A 46 11.626 6.018 0.116 1.00 0.00 H new ATOM 0 HD11 ILE A 46 11.412 10.201 1.482 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.768 9.854 0.896 1.00 0.00 H new ATOM 0 HD13 ILE A 46 10.611 8.676 1.929 1.00 0.00 H new ATOM 696 N TYR A 47 8.789 6.336 -3.034 1.00 0.00 N ATOM 697 CA TYR A 47 7.954 5.241 -3.514 1.00 0.00 C ATOM 698 C TYR A 47 8.392 4.792 -4.905 1.00 0.00 C ATOM 699 O TYR A 47 8.270 3.618 -5.259 1.00 0.00 O ATOM 700 CB TYR A 47 6.485 5.668 -3.544 1.00 0.00 C ATOM 701 CG TYR A 47 5.516 4.511 -3.436 1.00 0.00 C ATOM 702 CD1 TYR A 47 5.529 3.669 -2.332 1.00 0.00 C ATOM 703 CD2 TYR A 47 4.588 4.262 -4.440 1.00 0.00 C ATOM 704 CE1 TYR A 47 4.646 2.611 -2.230 1.00 0.00 C ATOM 705 CE2 TYR A 47 3.701 3.207 -4.346 1.00 0.00 C ATOM 706 CZ TYR A 47 3.734 2.385 -3.240 1.00 0.00 C ATOM 707 OH TYR A 47 2.853 1.333 -3.141 1.00 0.00 O ATOM 0 H TYR A 47 8.342 7.252 -3.065 1.00 0.00 H new ATOM 0 HA TYR A 47 8.069 4.402 -2.827 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.301 6.363 -2.725 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.291 6.208 -4.471 1.00 0.00 H new ATOM 0 HD1 TYR A 47 6.241 3.844 -1.539 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.560 4.904 -5.308 1.00 0.00 H new ATOM 0 HE1 TYR A 47 4.670 1.965 -1.365 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.986 3.027 -5.135 1.00 0.00 H new ATOM 0 HH TYR A 47 2.277 1.313 -3.934 1.00 0.00 H new ATOM 717 N THR A 48 8.904 5.734 -5.690 1.00 0.00 N ATOM 718 CA THR A 48 9.361 5.437 -7.042 1.00 0.00 C ATOM 719 C THR A 48 10.366 4.291 -7.043 1.00 0.00 C ATOM 720 O THR A 48 10.115 3.233 -7.619 1.00 0.00 O ATOM 721 CB THR A 48 10.005 6.671 -7.701 1.00 0.00 C ATOM 722 OG1 THR A 48 9.066 7.751 -7.742 1.00 0.00 O ATOM 723 CG2 THR A 48 10.475 6.348 -9.111 1.00 0.00 C ATOM 0 H THR A 48 9.013 6.710 -5.413 1.00 0.00 H new ATOM 0 HA THR A 48 8.482 5.146 -7.616 1.00 0.00 H new ATOM 0 HB THR A 48 10.869 6.964 -7.105 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.809 7.995 -6.829 1.00 0.00 H new ATOM 0 HG21 THR A 48 10.926 7.235 -9.556 1.00 0.00 H new ATOM 0 HG22 THR A 48 11.212 5.546 -9.074 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.624 6.032 -9.715 1.00 0.00 H new ATOM 731 N SER A 49 11.506 4.510 -6.395 1.00 0.00 N ATOM 732 CA SER A 49 12.552 3.496 -6.324 1.00 0.00 C ATOM 733 C SER A 49 12.007 2.193 -5.746 1.00 0.00 C ATOM 734 O SER A 49 12.447 1.104 -6.116 1.00 0.00 O ATOM 735 CB SER A 49 13.720 3.996 -5.473 1.00 0.00 C ATOM 736 OG SER A 49 14.291 5.168 -6.028 1.00 0.00 O ATOM 0 H SER A 49 11.729 5.380 -5.912 1.00 0.00 H new ATOM 0 HA SER A 49 12.907 3.304 -7.337 1.00 0.00 H new ATOM 0 HB2 SER A 49 13.374 4.201 -4.460 1.00 0.00 H new ATOM 0 HB3 SER A 49 14.479 3.218 -5.399 1.00 0.00 H new ATOM 0 HG SER A 49 15.034 5.468 -5.464 1.00 0.00 H new ATOM 742 N LEU A 50 11.047 2.313 -4.836 1.00 0.00 N ATOM 743 CA LEU A 50 10.440 1.146 -4.205 1.00 0.00 C ATOM 744 C LEU A 50 9.806 0.232 -5.248 1.00 0.00 C ATOM 745 O LEU A 50 9.705 -0.978 -5.048 1.00 0.00 O ATOM 746 CB LEU A 50 9.387 1.583 -3.185 1.00 0.00 C ATOM 747 CG LEU A 50 8.767 0.468 -2.342 1.00 0.00 C ATOM 748 CD1 LEU A 50 9.776 -0.067 -1.338 1.00 0.00 C ATOM 749 CD2 LEU A 50 7.519 0.970 -1.629 1.00 0.00 C ATOM 0 H LEU A 50 10.672 3.207 -4.518 1.00 0.00 H new ATOM 0 HA LEU A 50 11.225 0.591 -3.692 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.841 2.310 -2.512 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.586 2.097 -3.717 1.00 0.00 H new ATOM 0 HG LEU A 50 8.480 -0.347 -3.007 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.316 -0.860 -0.747 1.00 0.00 H new ATOM 0 HD12 LEU A 50 10.641 -0.465 -1.868 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.095 0.739 -0.677 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.091 0.164 -1.034 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.783 1.802 -0.976 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.789 1.304 -2.366 1.00 0.00 H new ATOM 761 N GLY A 51 9.380 0.819 -6.362 1.00 0.00 N ATOM 762 CA GLY A 51 8.763 0.042 -7.421 1.00 0.00 C ATOM 763 C GLY A 51 9.770 -0.453 -8.440 1.00 0.00 C ATOM 764 O GLY A 51 9.897 -1.656 -8.666 1.00 0.00 O ATOM 0 H GLY A 51 9.451 1.819 -6.550 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.243 -0.811 -6.985 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.012 0.651 -7.924 1.00 0.00 H new ATOM 768 N LYS A 52 10.488 0.478 -9.060 1.00 0.00 N ATOM 769 CA LYS A 52 11.489 0.132 -10.062 1.00 0.00 C ATOM 770 C LYS A 52 12.462 -0.912 -9.521 1.00 0.00 C ATOM 771 O LYS A 52 13.116 -1.621 -10.286 1.00 0.00 O ATOM 772 CB LYS A 52 12.257 1.382 -10.498 1.00 0.00 C ATOM 773 CG LYS A 52 13.438 1.714 -9.603 1.00 0.00 C ATOM 774 CD LYS A 52 13.962 3.115 -9.868 1.00 0.00 C ATOM 775 CE LYS A 52 14.916 3.138 -11.053 1.00 0.00 C ATOM 776 NZ LYS A 52 16.177 2.401 -10.765 1.00 0.00 N ATOM 0 H LYS A 52 10.395 1.479 -8.886 1.00 0.00 H new ATOM 0 HA LYS A 52 10.973 -0.290 -10.925 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.614 1.241 -11.518 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.574 2.231 -10.513 1.00 0.00 H new ATOM 0 HG2 LYS A 52 13.139 1.628 -8.558 1.00 0.00 H new ATOM 0 HG3 LYS A 52 14.235 0.989 -9.767 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.126 3.787 -10.060 1.00 0.00 H new ATOM 0 HD3 LYS A 52 14.473 3.487 -8.980 1.00 0.00 H new ATOM 0 HE2 LYS A 52 14.427 2.696 -11.921 1.00 0.00 H new ATOM 0 HE3 LYS A 52 15.150 4.171 -11.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 16.932 2.746 -11.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 16.452 2.557 -9.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 16.030 1.384 -10.927 1.00 0.00 H new ATOM 790 N LYS A 53 12.551 -1.001 -8.199 1.00 0.00 N ATOM 791 CA LYS A 53 13.441 -1.960 -7.555 1.00 0.00 C ATOM 792 C LYS A 53 12.726 -3.285 -7.307 1.00 0.00 C ATOM 793 O LYS A 53 13.284 -4.356 -7.547 1.00 0.00 O ATOM 794 CB LYS A 53 13.963 -1.395 -6.232 1.00 0.00 C ATOM 795 CG LYS A 53 13.022 -1.620 -5.061 1.00 0.00 C ATOM 796 CD LYS A 53 13.450 -0.823 -3.840 1.00 0.00 C ATOM 797 CE LYS A 53 14.912 -1.069 -3.499 1.00 0.00 C ATOM 798 NZ LYS A 53 15.172 -0.929 -2.040 1.00 0.00 N ATOM 0 H LYS A 53 12.018 -0.421 -7.552 1.00 0.00 H new ATOM 0 HA LYS A 53 14.283 -2.141 -8.223 1.00 0.00 H new ATOM 0 HB2 LYS A 53 14.926 -1.852 -6.006 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.137 -0.325 -6.347 1.00 0.00 H new ATOM 0 HG2 LYS A 53 12.010 -1.334 -5.347 1.00 0.00 H new ATOM 0 HG3 LYS A 53 12.996 -2.681 -4.813 1.00 0.00 H new ATOM 0 HD2 LYS A 53 13.292 0.240 -4.024 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.826 -1.096 -2.989 1.00 0.00 H new ATOM 0 HE2 LYS A 53 15.197 -2.069 -3.824 1.00 0.00 H new ATOM 0 HE3 LYS A 53 15.537 -0.365 -4.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 16.138 -1.251 -1.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 15.070 0.068 -1.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 14.490 -1.507 -1.509 1.00 0.00 H new ATOM 812 N TYR A 54 11.491 -3.204 -6.827 1.00 0.00 N ATOM 813 CA TYR A 54 10.700 -4.397 -6.546 1.00 0.00 C ATOM 814 C TYR A 54 10.019 -4.909 -7.811 1.00 0.00 C ATOM 815 O TYR A 54 9.346 -5.940 -7.795 1.00 0.00 O ATOM 816 CB TYR A 54 9.651 -4.098 -5.474 1.00 0.00 C ATOM 817 CG TYR A 54 10.160 -4.278 -4.062 1.00 0.00 C ATOM 818 CD1 TYR A 54 10.857 -3.262 -3.419 1.00 0.00 C ATOM 819 CD2 TYR A 54 9.944 -5.463 -3.370 1.00 0.00 C ATOM 820 CE1 TYR A 54 11.325 -3.422 -2.129 1.00 0.00 C ATOM 821 CE2 TYR A 54 10.406 -5.632 -2.079 1.00 0.00 C ATOM 822 CZ TYR A 54 11.097 -4.609 -1.463 1.00 0.00 C ATOM 823 OH TYR A 54 11.560 -4.772 -0.178 1.00 0.00 O ATOM 0 H TYR A 54 11.015 -2.325 -6.624 1.00 0.00 H new ATOM 0 HA TYR A 54 11.374 -5.171 -6.179 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.300 -3.073 -5.597 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.791 -4.750 -5.627 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.036 -2.331 -3.937 1.00 0.00 H new ATOM 0 HD2 TYR A 54 9.405 -6.267 -3.850 1.00 0.00 H new ATOM 0 HE1 TYR A 54 11.866 -2.623 -1.645 1.00 0.00 H new ATOM 0 HE2 TYR A 54 10.227 -6.559 -1.555 1.00 0.00 H new ATOM 0 HH TYR A 54 10.804 -4.760 0.446 1.00 0.00 H new ATOM 833 N LYS A 55 10.200 -4.182 -8.909 1.00 0.00 N ATOM 834 CA LYS A 55 9.606 -4.561 -10.185 1.00 0.00 C ATOM 835 C LYS A 55 10.122 -5.922 -10.642 1.00 0.00 C ATOM 836 O LYS A 55 9.386 -6.707 -11.239 1.00 0.00 O ATOM 837 CB LYS A 55 9.913 -3.504 -11.248 1.00 0.00 C ATOM 838 CG LYS A 55 8.883 -2.389 -11.312 1.00 0.00 C ATOM 839 CD LYS A 55 7.694 -2.777 -12.174 1.00 0.00 C ATOM 840 CE LYS A 55 6.719 -1.620 -12.331 1.00 0.00 C ATOM 841 NZ LYS A 55 5.546 -1.993 -13.170 1.00 0.00 N ATOM 0 H LYS A 55 10.754 -3.326 -8.940 1.00 0.00 H new ATOM 0 HA LYS A 55 8.527 -4.628 -10.049 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.893 -3.071 -11.046 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.973 -3.988 -12.223 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.541 -2.150 -10.305 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.346 -1.488 -11.714 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.044 -3.096 -13.156 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.181 -3.628 -11.727 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.375 -1.299 -11.348 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.233 -0.771 -12.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.905 -1.178 -13.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.872 -2.275 -14.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.041 -2.787 -12.727 1.00 0.00 H new ATOM 855 N GLY A 56 11.391 -6.195 -10.357 1.00 0.00 N ATOM 856 CA GLY A 56 11.983 -7.462 -10.745 1.00 0.00 C ATOM 857 C GLY A 56 11.684 -8.569 -9.754 1.00 0.00 C ATOM 858 O GLY A 56 12.483 -9.489 -9.583 1.00 0.00 O ATOM 0 H GLY A 56 12.020 -5.561 -9.864 1.00 0.00 H new ATOM 0 HA2 GLY A 56 11.609 -7.748 -11.728 1.00 0.00 H new ATOM 0 HA3 GLY A 56 13.063 -7.342 -10.837 1.00 0.00 H new ATOM 862 N GLN A 57 10.531 -8.480 -9.099 1.00 0.00 N ATOM 863 CA GLN A 57 10.131 -9.481 -8.117 1.00 0.00 C ATOM 864 C GLN A 57 9.279 -10.568 -8.765 1.00 0.00 C ATOM 865 O GLN A 57 9.084 -10.577 -9.981 1.00 0.00 O ATOM 866 CB GLN A 57 9.357 -8.824 -6.973 1.00 0.00 C ATOM 867 CG GLN A 57 10.238 -8.036 -6.017 1.00 0.00 C ATOM 868 CD GLN A 57 10.771 -8.886 -4.880 1.00 0.00 C ATOM 869 OE1 GLN A 57 11.977 -9.107 -4.767 1.00 0.00 O ATOM 870 NE2 GLN A 57 9.872 -9.367 -4.028 1.00 0.00 N ATOM 0 H GLN A 57 9.858 -7.725 -9.230 1.00 0.00 H new ATOM 0 HA GLN A 57 11.034 -9.942 -7.717 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.602 -8.158 -7.391 1.00 0.00 H new ATOM 0 HB3 GLN A 57 8.827 -9.595 -6.414 1.00 0.00 H new ATOM 0 HG2 GLN A 57 11.075 -7.608 -6.569 1.00 0.00 H new ATOM 0 HG3 GLN A 57 9.668 -7.203 -5.606 1.00 0.00 H new ATOM 0 HE21 GLN A 57 8.882 -9.159 -4.160 1.00 0.00 H new ATOM 0 HE22 GLN A 57 10.172 -9.944 -3.242 1.00 0.00 H new ATOM 879 N LYS A 58 8.774 -11.483 -7.945 1.00 0.00 N ATOM 880 CA LYS A 58 7.942 -12.575 -8.437 1.00 0.00 C ATOM 881 C LYS A 58 6.485 -12.373 -8.032 1.00 0.00 C ATOM 882 O LYS A 58 6.132 -12.510 -6.861 1.00 0.00 O ATOM 883 CB LYS A 58 8.451 -13.914 -7.899 1.00 0.00 C ATOM 884 CG LYS A 58 9.795 -14.329 -8.473 1.00 0.00 C ATOM 885 CD LYS A 58 9.648 -14.920 -9.865 1.00 0.00 C ATOM 886 CE LYS A 58 9.102 -16.339 -9.813 1.00 0.00 C ATOM 887 NZ LYS A 58 7.613 -16.361 -9.826 1.00 0.00 N ATOM 0 H LYS A 58 8.926 -11.490 -6.936 1.00 0.00 H new ATOM 0 HA LYS A 58 8.001 -12.582 -9.525 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.532 -13.853 -6.814 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.716 -14.688 -8.120 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.458 -13.464 -8.512 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.263 -15.060 -7.814 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.982 -14.294 -10.459 1.00 0.00 H new ATOM 0 HD3 LYS A 58 10.616 -14.920 -10.366 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.481 -16.905 -10.664 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.465 -16.835 -8.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.263 -16.696 -8.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.253 -15.402 -10.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.282 -17.000 -10.576 1.00 0.00 H new ATOM 901 N ASP A 59 5.644 -12.050 -9.008 1.00 0.00 N ATOM 902 CA ASP A 59 4.225 -11.832 -8.754 1.00 0.00 C ATOM 903 C ASP A 59 4.017 -10.657 -7.803 1.00 0.00 C ATOM 904 O ASP A 59 3.279 -10.761 -6.823 1.00 0.00 O ATOM 905 CB ASP A 59 3.590 -13.095 -8.170 1.00 0.00 C ATOM 906 CG ASP A 59 4.294 -14.359 -8.623 1.00 0.00 C ATOM 907 OD1 ASP A 59 4.831 -14.368 -9.750 1.00 0.00 O ATOM 908 OD2 ASP A 59 4.308 -15.339 -7.849 1.00 0.00 O ATOM 0 H ASP A 59 5.921 -11.933 -9.983 1.00 0.00 H new ATOM 0 HA ASP A 59 3.743 -11.598 -9.703 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.613 -13.040 -7.082 1.00 0.00 H new ATOM 0 HB3 ASP A 59 2.542 -13.141 -8.465 1.00 0.00 H new ATOM 913 N LEU A 60 4.673 -9.540 -8.099 1.00 0.00 N ATOM 914 CA LEU A 60 4.562 -8.345 -7.270 1.00 0.00 C ATOM 915 C LEU A 60 4.633 -7.082 -8.123 1.00 0.00 C ATOM 916 O LEU A 60 5.564 -6.903 -8.908 1.00 0.00 O ATOM 917 CB LEU A 60 5.670 -8.326 -6.216 1.00 0.00 C ATOM 918 CG LEU A 60 5.584 -7.213 -5.171 1.00 0.00 C ATOM 919 CD1 LEU A 60 4.694 -7.635 -4.013 1.00 0.00 C ATOM 920 CD2 LEU A 60 6.973 -6.842 -4.671 1.00 0.00 C ATOM 0 H LEU A 60 5.287 -9.437 -8.907 1.00 0.00 H new ATOM 0 HA LEU A 60 3.594 -8.369 -6.769 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.667 -9.285 -5.697 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.629 -8.243 -6.727 1.00 0.00 H new ATOM 0 HG LEU A 60 5.142 -6.334 -5.640 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.645 -6.830 -3.280 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.692 -7.849 -4.384 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.106 -8.528 -3.544 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.892 -6.048 -3.928 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.442 -7.716 -4.219 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.580 -6.496 -5.507 1.00 0.00 H new ATOM 932 N VAL A 61 3.645 -6.208 -7.961 1.00 0.00 N ATOM 933 CA VAL A 61 3.597 -4.960 -8.713 1.00 0.00 C ATOM 934 C VAL A 61 3.159 -3.800 -7.826 1.00 0.00 C ATOM 935 O VAL A 61 2.031 -3.774 -7.333 1.00 0.00 O ATOM 936 CB VAL A 61 2.638 -5.065 -9.913 1.00 0.00 C ATOM 937 CG1 VAL A 61 2.377 -3.690 -10.510 1.00 0.00 C ATOM 938 CG2 VAL A 61 3.200 -6.013 -10.962 1.00 0.00 C ATOM 0 H VAL A 61 2.867 -6.341 -7.315 1.00 0.00 H new ATOM 0 HA VAL A 61 4.606 -4.772 -9.079 1.00 0.00 H new ATOM 0 HB VAL A 61 1.688 -5.469 -9.563 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.697 -3.784 -11.357 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.929 -3.045 -9.755 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.318 -3.255 -10.847 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.510 -6.075 -11.803 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.163 -5.641 -11.310 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.330 -7.003 -10.525 1.00 0.00 H new ATOM 948 N ILE A 62 4.058 -2.843 -7.626 1.00 0.00 N ATOM 949 CA ILE A 62 3.764 -1.679 -6.800 1.00 0.00 C ATOM 950 C ILE A 62 2.932 -0.656 -7.567 1.00 0.00 C ATOM 951 O ILE A 62 3.420 -0.018 -8.499 1.00 0.00 O ATOM 952 CB ILE A 62 5.054 -1.003 -6.299 1.00 0.00 C ATOM 953 CG1 ILE A 62 5.894 -1.995 -5.492 1.00 0.00 C ATOM 954 CG2 ILE A 62 4.719 0.221 -5.460 1.00 0.00 C ATOM 955 CD1 ILE A 62 6.979 -1.337 -4.667 1.00 0.00 C ATOM 0 H ILE A 62 4.997 -2.851 -8.025 1.00 0.00 H new ATOM 0 HA ILE A 62 3.195 -2.037 -5.942 1.00 0.00 H new ATOM 0 HB ILE A 62 5.636 -0.679 -7.162 1.00 0.00 H new ATOM 0 HG12 ILE A 62 5.238 -2.560 -4.830 1.00 0.00 H new ATOM 0 HG13 ILE A 62 6.352 -2.711 -6.175 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.641 0.688 -5.113 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.156 0.933 -6.064 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.119 -0.080 -4.601 1.00 0.00 H new ATOM 0 HD11 ILE A 62 7.534 -2.100 -4.121 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.658 -0.795 -5.325 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.527 -0.642 -3.960 1.00 0.00 H new ATOM 967 N ALA A 63 1.674 -0.505 -7.167 1.00 0.00 N ATOM 968 CA ALA A 63 0.776 0.443 -7.814 1.00 0.00 C ATOM 969 C ALA A 63 0.300 1.508 -6.831 1.00 0.00 C ATOM 970 O ALA A 63 0.357 1.316 -5.616 1.00 0.00 O ATOM 971 CB ALA A 63 -0.414 -0.286 -8.420 1.00 0.00 C ATOM 0 H ALA A 63 1.254 -1.027 -6.398 1.00 0.00 H new ATOM 0 HA ALA A 63 1.328 0.941 -8.611 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.076 0.435 -8.900 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.062 -1.004 -9.160 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.957 -0.811 -7.635 1.00 0.00 H new ATOM 977 N LYS A 64 -0.168 2.631 -7.363 1.00 0.00 N ATOM 978 CA LYS A 64 -0.654 3.728 -6.533 1.00 0.00 C ATOM 979 C LYS A 64 -2.027 4.198 -7.002 1.00 0.00 C ATOM 980 O LYS A 64 -2.472 3.850 -8.096 1.00 0.00 O ATOM 981 CB LYS A 64 0.335 4.895 -6.564 1.00 0.00 C ATOM 982 CG LYS A 64 0.553 5.471 -7.953 1.00 0.00 C ATOM 983 CD LYS A 64 1.485 6.670 -7.919 1.00 0.00 C ATOM 984 CE LYS A 64 1.785 7.182 -9.319 1.00 0.00 C ATOM 985 NZ LYS A 64 2.968 6.503 -9.917 1.00 0.00 N ATOM 0 H LYS A 64 -0.221 2.806 -8.366 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.744 3.364 -5.510 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.027 5.684 -5.905 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.292 4.560 -6.164 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.970 4.703 -8.605 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.405 5.766 -8.380 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.033 7.467 -7.328 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.416 6.395 -7.424 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.915 7.025 -9.957 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.963 8.257 -9.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.201 6.949 -10.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.779 6.587 -9.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.751 5.498 -10.070 1.00 0.00 H new ATOM 999 N MET A 65 -2.692 4.991 -6.169 1.00 0.00 N ATOM 1000 CA MET A 65 -4.014 5.511 -6.501 1.00 0.00 C ATOM 1001 C MET A 65 -4.384 6.676 -5.589 1.00 0.00 C ATOM 1002 O MET A 65 -3.815 6.837 -4.510 1.00 0.00 O ATOM 1003 CB MET A 65 -5.064 4.404 -6.386 1.00 0.00 C ATOM 1004 CG MET A 65 -6.488 4.894 -6.596 1.00 0.00 C ATOM 1005 SD MET A 65 -7.626 3.561 -7.018 1.00 0.00 S ATOM 1006 CE MET A 65 -8.877 3.770 -5.754 1.00 0.00 C ATOM 0 H MET A 65 -2.338 5.288 -5.260 1.00 0.00 H new ATOM 0 HA MET A 65 -3.988 5.872 -7.529 1.00 0.00 H new ATOM 0 HB2 MET A 65 -4.844 3.628 -7.119 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.988 3.943 -5.401 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.835 5.389 -5.689 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.498 5.640 -7.391 1.00 0.00 H new ATOM 0 HE1 MET A 65 -8.847 2.923 -5.069 1.00 0.00 H new ATOM 0 HE2 MET A 65 -8.686 4.690 -5.202 1.00 0.00 H new ATOM 0 HE3 MET A 65 -9.860 3.824 -6.221 1.00 0.00 H new ATOM 1016 N ASP A 66 -5.341 7.485 -6.030 1.00 0.00 N ATOM 1017 CA ASP A 66 -5.788 8.636 -5.253 1.00 0.00 C ATOM 1018 C ASP A 66 -7.185 8.400 -4.689 1.00 0.00 C ATOM 1019 O ASP A 66 -8.171 8.402 -5.425 1.00 0.00 O ATOM 1020 CB ASP A 66 -5.780 9.897 -6.119 1.00 0.00 C ATOM 1021 CG ASP A 66 -6.214 11.129 -5.350 1.00 0.00 C ATOM 1022 OD1 ASP A 66 -5.881 11.228 -4.151 1.00 0.00 O ATOM 1023 OD2 ASP A 66 -6.888 11.994 -5.947 1.00 0.00 O ATOM 0 H ASP A 66 -5.822 7.365 -6.921 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.098 8.772 -4.421 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.778 10.055 -6.517 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.443 9.753 -6.972 1.00 0.00 H new ATOM 1028 N ALA A 67 -7.262 8.197 -3.378 1.00 0.00 N ATOM 1029 CA ALA A 67 -8.538 7.961 -2.714 1.00 0.00 C ATOM 1030 C ALA A 67 -9.374 9.235 -2.664 1.00 0.00 C ATOM 1031 O ALA A 67 -10.597 9.183 -2.530 1.00 0.00 O ATOM 1032 CB ALA A 67 -8.311 7.420 -1.310 1.00 0.00 C ATOM 0 H ALA A 67 -6.455 8.191 -2.754 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.089 7.219 -3.292 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.273 7.249 -0.826 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.761 6.481 -1.367 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.737 8.143 -0.730 1.00 0.00 H new ATOM 1038 N THR A 68 -8.707 10.380 -2.770 1.00 0.00 N ATOM 1039 CA THR A 68 -9.389 11.668 -2.735 1.00 0.00 C ATOM 1040 C THR A 68 -10.274 11.856 -3.961 1.00 0.00 C ATOM 1041 O THR A 68 -11.212 12.651 -3.945 1.00 0.00 O ATOM 1042 CB THR A 68 -8.384 12.833 -2.657 1.00 0.00 C ATOM 1043 OG1 THR A 68 -7.812 13.073 -3.948 1.00 0.00 O ATOM 1044 CG2 THR A 68 -7.280 12.530 -1.656 1.00 0.00 C ATOM 0 H THR A 68 -7.695 10.442 -2.881 1.00 0.00 H new ATOM 0 HA THR A 68 -10.010 11.672 -1.839 1.00 0.00 H new ATOM 0 HB THR A 68 -8.918 13.723 -2.325 1.00 0.00 H new ATOM 0 HG1 THR A 68 -8.030 12.328 -4.546 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.583 13.367 -1.619 1.00 0.00 H new ATOM 0 HG22 THR A 68 -7.716 12.377 -0.669 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.749 11.629 -1.962 1.00 0.00 H new ATOM 1052 N ALA A 69 -9.969 11.117 -5.024 1.00 0.00 N ATOM 1053 CA ALA A 69 -10.739 11.201 -6.258 1.00 0.00 C ATOM 1054 C ALA A 69 -11.434 9.878 -6.562 1.00 0.00 C ATOM 1055 O ALA A 69 -12.606 9.854 -6.937 1.00 0.00 O ATOM 1056 CB ALA A 69 -9.838 11.604 -7.416 1.00 0.00 C ATOM 0 H ALA A 69 -9.194 10.454 -5.054 1.00 0.00 H new ATOM 0 HA ALA A 69 -11.507 11.963 -6.127 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.427 11.663 -8.332 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.392 12.577 -7.208 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.049 10.862 -7.539 1.00 0.00 H new ATOM 1062 N ASN A 70 -10.704 8.780 -6.399 1.00 0.00 N ATOM 1063 CA ASN A 70 -11.251 7.453 -6.657 1.00 0.00 C ATOM 1064 C ASN A 70 -11.852 6.856 -5.389 1.00 0.00 C ATOM 1065 O ASN A 70 -11.170 6.712 -4.374 1.00 0.00 O ATOM 1066 CB ASN A 70 -10.162 6.527 -7.204 1.00 0.00 C ATOM 1067 CG ASN A 70 -9.458 7.113 -8.413 1.00 0.00 C ATOM 1068 OD1 ASN A 70 -10.046 7.240 -9.487 1.00 0.00 O ATOM 1069 ND2 ASN A 70 -8.192 7.474 -8.242 1.00 0.00 N ATOM 0 H ASN A 70 -9.732 8.783 -6.089 1.00 0.00 H new ATOM 0 HA ASN A 70 -12.042 7.552 -7.401 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.430 6.330 -6.421 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.606 5.569 -7.474 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -7.667 7.875 -9.019 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -7.745 7.350 -7.334 1.00 0.00 H new ATOM 1076 N ASP A 71 -13.133 6.509 -5.454 1.00 0.00 N ATOM 1077 CA ASP A 71 -13.826 5.925 -4.312 1.00 0.00 C ATOM 1078 C ASP A 71 -13.507 4.439 -4.183 1.00 0.00 C ATOM 1079 O ASP A 71 -13.803 3.651 -5.082 1.00 0.00 O ATOM 1080 CB ASP A 71 -15.336 6.125 -4.448 1.00 0.00 C ATOM 1081 CG ASP A 71 -15.747 7.573 -4.267 1.00 0.00 C ATOM 1082 OD1 ASP A 71 -14.915 8.465 -4.538 1.00 0.00 O ATOM 1083 OD2 ASP A 71 -16.901 7.815 -3.856 1.00 0.00 O ATOM 0 H ASP A 71 -13.712 6.622 -6.286 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.480 6.431 -3.411 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.658 5.779 -5.430 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -15.849 5.510 -3.709 1.00 0.00 H new ATOM 1088 N ILE A 72 -12.901 4.064 -3.062 1.00 0.00 N ATOM 1089 CA ILE A 72 -12.541 2.673 -2.817 1.00 0.00 C ATOM 1090 C ILE A 72 -13.784 1.808 -2.636 1.00 0.00 C ATOM 1091 O ILE A 72 -14.449 1.865 -1.601 1.00 0.00 O ATOM 1092 CB ILE A 72 -11.647 2.534 -1.571 1.00 0.00 C ATOM 1093 CG1 ILE A 72 -10.386 3.387 -1.723 1.00 0.00 C ATOM 1094 CG2 ILE A 72 -11.281 1.075 -1.342 1.00 0.00 C ATOM 1095 CD1 ILE A 72 -9.731 3.738 -0.406 1.00 0.00 C ATOM 0 H ILE A 72 -12.649 4.704 -2.309 1.00 0.00 H new ATOM 0 HA ILE A 72 -11.987 2.331 -3.691 1.00 0.00 H new ATOM 0 HB ILE A 72 -12.201 2.890 -0.703 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.668 2.852 -2.345 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -10.641 4.307 -2.249 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -10.649 0.993 -0.458 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -12.189 0.491 -1.194 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -10.742 0.695 -2.210 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -8.844 4.343 -0.591 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -10.432 4.301 0.211 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -9.444 2.823 0.113 1.00 0.00 H new ATOM 1107 N THR A 73 -14.092 1.005 -3.650 1.00 0.00 N ATOM 1108 CA THR A 73 -15.254 0.127 -3.603 1.00 0.00 C ATOM 1109 C THR A 73 -15.127 -0.895 -2.480 1.00 0.00 C ATOM 1110 O THR A 73 -16.117 -1.272 -1.855 1.00 0.00 O ATOM 1111 CB THR A 73 -15.451 -0.616 -4.938 1.00 0.00 C ATOM 1112 OG1 THR A 73 -14.300 -1.418 -5.226 1.00 0.00 O ATOM 1113 CG2 THR A 73 -15.689 0.366 -6.074 1.00 0.00 C ATOM 0 H THR A 73 -13.553 0.945 -4.514 1.00 0.00 H new ATOM 0 HA THR A 73 -16.121 0.761 -3.417 1.00 0.00 H new ATOM 0 HB THR A 73 -16.327 -1.258 -4.846 1.00 0.00 H new ATOM 0 HG1 THR A 73 -14.544 -2.125 -5.859 1.00 0.00 H new ATOM 0 HG21 THR A 73 -15.825 -0.182 -7.006 1.00 0.00 H new ATOM 0 HG22 THR A 73 -16.582 0.954 -5.865 1.00 0.00 H new ATOM 0 HG23 THR A 73 -14.830 1.031 -6.166 1.00 0.00 H new ATOM 1121 N ASN A 74 -13.900 -1.340 -2.227 1.00 0.00 N ATOM 1122 CA ASN A 74 -13.643 -2.319 -1.177 1.00 0.00 C ATOM 1123 C ASN A 74 -14.245 -1.866 0.149 1.00 0.00 C ATOM 1124 O ASN A 74 -14.839 -0.792 0.238 1.00 0.00 O ATOM 1125 CB ASN A 74 -12.137 -2.543 -1.017 1.00 0.00 C ATOM 1126 CG ASN A 74 -11.601 -3.583 -1.982 1.00 0.00 C ATOM 1127 OD1 ASN A 74 -11.664 -3.407 -3.199 1.00 0.00 O ATOM 1128 ND2 ASN A 74 -11.071 -4.673 -1.441 1.00 0.00 N ATOM 0 H ASN A 74 -13.068 -1.038 -2.735 1.00 0.00 H new ATOM 0 HA ASN A 74 -14.114 -3.258 -1.467 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -11.613 -1.600 -1.176 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -11.926 -2.857 0.005 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -10.694 -5.408 -2.040 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -11.040 -4.776 -0.427 1.00 0.00 H new ATOM 1135 N ASP A 75 -14.086 -2.692 1.177 1.00 0.00 N ATOM 1136 CA ASP A 75 -14.612 -2.376 2.500 1.00 0.00 C ATOM 1137 C ASP A 75 -13.497 -2.366 3.541 1.00 0.00 C ATOM 1138 O ASP A 75 -13.497 -1.545 4.457 1.00 0.00 O ATOM 1139 CB ASP A 75 -15.690 -3.385 2.898 1.00 0.00 C ATOM 1140 CG ASP A 75 -16.672 -3.658 1.776 1.00 0.00 C ATOM 1141 OD1 ASP A 75 -16.352 -4.484 0.895 1.00 0.00 O ATOM 1142 OD2 ASP A 75 -17.760 -3.045 1.778 1.00 0.00 O ATOM 0 H ASP A 75 -13.597 -3.585 1.120 1.00 0.00 H new ATOM 0 HA ASP A 75 -15.054 -1.381 2.459 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -15.216 -4.320 3.197 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -16.231 -3.010 3.767 1.00 0.00 H new ATOM 1147 N GLN A 76 -12.549 -3.286 3.393 1.00 0.00 N ATOM 1148 CA GLN A 76 -11.429 -3.385 4.322 1.00 0.00 C ATOM 1149 C GLN A 76 -10.463 -2.219 4.134 1.00 0.00 C ATOM 1150 O GLN A 76 -9.816 -1.778 5.084 1.00 0.00 O ATOM 1151 CB GLN A 76 -10.692 -4.710 4.126 1.00 0.00 C ATOM 1152 CG GLN A 76 -11.582 -5.932 4.291 1.00 0.00 C ATOM 1153 CD GLN A 76 -12.254 -6.343 2.996 1.00 0.00 C ATOM 1154 OE1 GLN A 76 -13.481 -6.418 2.916 1.00 0.00 O ATOM 1155 NE2 GLN A 76 -11.453 -6.611 1.971 1.00 0.00 N ATOM 0 H GLN A 76 -12.534 -3.973 2.639 1.00 0.00 H new ATOM 0 HA GLN A 76 -11.826 -3.345 5.337 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -10.249 -4.726 3.130 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -9.872 -4.769 4.841 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -10.985 -6.763 4.666 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -12.345 -5.723 5.041 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -10.442 -6.536 2.081 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -11.849 -6.892 1.074 1.00 0.00 H new ATOM 1164 N TYR A 77 -10.370 -1.726 2.905 1.00 0.00 N ATOM 1165 CA TYR A 77 -9.481 -0.614 2.592 1.00 0.00 C ATOM 1166 C TYR A 77 -10.087 0.712 3.043 1.00 0.00 C ATOM 1167 O TYR A 77 -10.891 1.314 2.332 1.00 0.00 O ATOM 1168 CB TYR A 77 -9.191 -0.571 1.091 1.00 0.00 C ATOM 1169 CG TYR A 77 -8.283 -1.683 0.617 1.00 0.00 C ATOM 1170 CD1 TYR A 77 -8.664 -3.014 0.732 1.00 0.00 C ATOM 1171 CD2 TYR A 77 -7.044 -1.402 0.054 1.00 0.00 C ATOM 1172 CE1 TYR A 77 -7.837 -4.033 0.301 1.00 0.00 C ATOM 1173 CE2 TYR A 77 -6.211 -2.415 -0.381 1.00 0.00 C ATOM 1174 CZ TYR A 77 -6.612 -3.729 -0.255 1.00 0.00 C ATOM 1175 OH TYR A 77 -5.786 -4.741 -0.686 1.00 0.00 O ATOM 0 H TYR A 77 -10.900 -2.079 2.108 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.546 -0.767 3.131 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -10.133 -0.626 0.546 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.736 0.388 0.845 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.623 -3.256 1.166 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.727 -0.374 -0.045 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -8.148 -5.063 0.399 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -5.251 -2.179 -0.817 1.00 0.00 H new ATOM 0 HH TYR A 77 -6.095 -5.595 -0.317 1.00 0.00 H new ATOM 1185 N LYS A 78 -9.695 1.161 4.230 1.00 0.00 N ATOM 1186 CA LYS A 78 -10.196 2.416 4.778 1.00 0.00 C ATOM 1187 C LYS A 78 -9.081 3.452 4.874 1.00 0.00 C ATOM 1188 O LYS A 78 -7.992 3.163 5.371 1.00 0.00 O ATOM 1189 CB LYS A 78 -10.811 2.183 6.160 1.00 0.00 C ATOM 1190 CG LYS A 78 -12.304 1.905 6.122 1.00 0.00 C ATOM 1191 CD LYS A 78 -13.113 3.180 6.298 1.00 0.00 C ATOM 1192 CE LYS A 78 -13.069 4.045 5.048 1.00 0.00 C ATOM 1193 NZ LYS A 78 -13.662 3.350 3.872 1.00 0.00 N ATOM 0 H LYS A 78 -9.031 0.674 4.832 1.00 0.00 H new ATOM 0 HA LYS A 78 -10.964 2.797 4.105 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.305 1.343 6.637 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -10.629 3.059 6.782 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -12.564 1.436 5.173 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -12.563 1.197 6.909 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -14.147 2.927 6.530 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -12.725 3.744 7.146 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -13.608 4.975 5.230 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -12.036 4.314 4.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -14.316 3.993 3.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -12.904 3.064 3.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -14.180 2.507 4.192 1.00 0.00 H new ATOM 1207 N VAL A 79 -9.359 4.660 4.395 1.00 0.00 N ATOM 1208 CA VAL A 79 -8.380 5.740 4.430 1.00 0.00 C ATOM 1209 C VAL A 79 -8.752 6.787 5.474 1.00 0.00 C ATOM 1210 O VAL A 79 -9.700 7.549 5.291 1.00 0.00 O ATOM 1211 CB VAL A 79 -8.251 6.425 3.056 1.00 0.00 C ATOM 1212 CG1 VAL A 79 -7.243 7.562 3.119 1.00 0.00 C ATOM 1213 CG2 VAL A 79 -7.858 5.412 1.991 1.00 0.00 C ATOM 0 H VAL A 79 -10.254 4.916 3.978 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.423 5.291 4.696 1.00 0.00 H new ATOM 0 HB VAL A 79 -9.220 6.845 2.786 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.165 8.034 2.140 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.571 8.299 3.852 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.269 7.169 3.411 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.771 5.913 1.027 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.901 4.961 2.253 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -8.620 4.635 1.929 1.00 0.00 H new ATOM 1223 N GLU A 80 -7.999 6.816 6.569 1.00 0.00 N ATOM 1224 CA GLU A 80 -8.251 7.770 7.643 1.00 0.00 C ATOM 1225 C GLU A 80 -7.076 8.730 7.805 1.00 0.00 C ATOM 1226 O GLU A 80 -6.858 9.286 8.880 1.00 0.00 O ATOM 1227 CB GLU A 80 -8.507 7.033 8.959 1.00 0.00 C ATOM 1228 CG GLU A 80 -9.657 6.043 8.889 1.00 0.00 C ATOM 1229 CD GLU A 80 -10.186 5.665 10.259 1.00 0.00 C ATOM 1230 OE1 GLU A 80 -9.491 4.915 10.976 1.00 0.00 O ATOM 1231 OE2 GLU A 80 -11.294 6.118 10.613 1.00 0.00 O ATOM 0 H GLU A 80 -7.210 6.191 6.736 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.137 8.349 7.380 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.600 6.503 9.251 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -8.715 7.764 9.740 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.465 6.472 8.297 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.326 5.143 8.371 1.00 0.00 H new ATOM 1238 N GLY A 81 -6.320 8.918 6.727 1.00 0.00 N ATOM 1239 CA GLY A 81 -5.176 9.810 6.770 1.00 0.00 C ATOM 1240 C GLY A 81 -4.101 9.423 5.774 1.00 0.00 C ATOM 1241 O GLY A 81 -3.655 8.276 5.744 1.00 0.00 O ATOM 0 H GLY A 81 -6.480 8.469 5.825 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.506 10.829 6.566 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.754 9.806 7.775 1.00 0.00 H new ATOM 1245 N PHE A 82 -3.685 10.382 4.953 1.00 0.00 N ATOM 1246 CA PHE A 82 -2.657 10.135 3.948 1.00 0.00 C ATOM 1247 C PHE A 82 -1.288 10.587 4.447 1.00 0.00 C ATOM 1248 O PHE A 82 -1.168 11.504 5.261 1.00 0.00 O ATOM 1249 CB PHE A 82 -3.003 10.860 2.646 1.00 0.00 C ATOM 1250 CG PHE A 82 -4.440 10.703 2.235 1.00 0.00 C ATOM 1251 CD1 PHE A 82 -5.438 11.425 2.869 1.00 0.00 C ATOM 1252 CD2 PHE A 82 -4.791 9.833 1.216 1.00 0.00 C ATOM 1253 CE1 PHE A 82 -6.761 11.283 2.494 1.00 0.00 C ATOM 1254 CE2 PHE A 82 -6.112 9.688 0.836 1.00 0.00 C ATOM 1255 CZ PHE A 82 -7.098 10.412 1.476 1.00 0.00 C ATOM 0 H PHE A 82 -4.044 11.337 4.964 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.619 9.062 3.760 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -2.780 11.921 2.760 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.362 10.483 1.849 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -5.179 12.107 3.666 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.025 9.262 0.713 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -7.530 11.852 2.996 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -6.373 9.008 0.038 1.00 0.00 H new ATOM 0 HZ PHE A 82 -8.131 10.298 1.181 1.00 0.00 H new ATOM 1265 N PRO A 83 -0.231 9.930 3.949 1.00 0.00 N ATOM 1266 CA PRO A 83 -0.362 8.838 2.980 1.00 0.00 C ATOM 1267 C PRO A 83 -0.973 7.585 3.599 1.00 0.00 C ATOM 1268 O PRO A 83 -1.188 7.519 4.809 1.00 0.00 O ATOM 1269 CB PRO A 83 1.082 8.571 2.549 1.00 0.00 C ATOM 1270 CG PRO A 83 1.912 9.036 3.694 1.00 0.00 C ATOM 1271 CD PRO A 83 1.175 10.202 4.293 1.00 0.00 C ATOM 0 HA PRO A 83 -1.025 9.101 2.156 1.00 0.00 H new ATOM 0 HB2 PRO A 83 1.245 7.513 2.346 1.00 0.00 H new ATOM 0 HB3 PRO A 83 1.329 9.112 1.636 1.00 0.00 H new ATOM 0 HG2 PRO A 83 2.046 8.241 4.427 1.00 0.00 H new ATOM 0 HG3 PRO A 83 2.906 9.333 3.360 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.321 10.258 5.372 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.515 11.150 3.875 1.00 0.00 H new ATOM 1279 N THR A 84 -1.251 6.591 2.760 1.00 0.00 N ATOM 1280 CA THR A 84 -1.839 5.341 3.224 1.00 0.00 C ATOM 1281 C THR A 84 -1.478 4.186 2.297 1.00 0.00 C ATOM 1282 O THR A 84 -2.019 4.069 1.197 1.00 0.00 O ATOM 1283 CB THR A 84 -3.372 5.444 3.325 1.00 0.00 C ATOM 1284 OG1 THR A 84 -3.744 6.720 3.857 1.00 0.00 O ATOM 1285 CG2 THR A 84 -3.932 4.338 4.207 1.00 0.00 C ATOM 0 H THR A 84 -1.078 6.628 1.755 1.00 0.00 H new ATOM 0 HA THR A 84 -1.430 5.149 4.216 1.00 0.00 H new ATOM 0 HB THR A 84 -3.788 5.334 2.323 1.00 0.00 H new ATOM 0 HG1 THR A 84 -3.161 6.942 4.613 1.00 0.00 H new ATOM 0 HG21 THR A 84 -5.017 4.431 4.263 1.00 0.00 H new ATOM 0 HG22 THR A 84 -3.673 3.368 3.783 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.508 4.421 5.208 1.00 0.00 H new ATOM 1293 N ILE A 85 -0.561 3.336 2.747 1.00 0.00 N ATOM 1294 CA ILE A 85 -0.130 2.189 1.957 1.00 0.00 C ATOM 1295 C ILE A 85 -0.896 0.931 2.351 1.00 0.00 C ATOM 1296 O ILE A 85 -1.238 0.740 3.518 1.00 0.00 O ATOM 1297 CB ILE A 85 1.379 1.930 2.119 1.00 0.00 C ATOM 1298 CG1 ILE A 85 2.177 3.182 1.751 1.00 0.00 C ATOM 1299 CG2 ILE A 85 1.809 0.750 1.260 1.00 0.00 C ATOM 1300 CD1 ILE A 85 3.537 3.249 2.411 1.00 0.00 C ATOM 0 H ILE A 85 -0.102 3.420 3.654 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.340 2.427 0.914 1.00 0.00 H new ATOM 0 HB ILE A 85 1.581 1.688 3.162 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.305 3.216 0.669 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.602 4.065 2.032 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.878 0.579 1.385 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.261 -0.141 1.566 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.596 0.966 0.213 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.046 4.163 2.104 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.416 3.247 3.494 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.130 2.385 2.111 1.00 0.00 H new ATOM 1312 N TYR A 86 -1.161 0.075 1.370 1.00 0.00 N ATOM 1313 CA TYR A 86 -1.888 -1.165 1.614 1.00 0.00 C ATOM 1314 C TYR A 86 -1.324 -2.302 0.767 1.00 0.00 C ATOM 1315 O TYR A 86 -1.085 -2.140 -0.430 1.00 0.00 O ATOM 1316 CB TYR A 86 -3.375 -0.978 1.311 1.00 0.00 C ATOM 1317 CG TYR A 86 -4.185 -0.529 2.506 1.00 0.00 C ATOM 1318 CD1 TYR A 86 -4.530 -1.424 3.512 1.00 0.00 C ATOM 1319 CD2 TYR A 86 -4.606 0.789 2.630 1.00 0.00 C ATOM 1320 CE1 TYR A 86 -5.270 -1.019 4.605 1.00 0.00 C ATOM 1321 CE2 TYR A 86 -5.345 1.203 3.721 1.00 0.00 C ATOM 1322 CZ TYR A 86 -5.675 0.295 4.706 1.00 0.00 C ATOM 1323 OH TYR A 86 -6.413 0.703 5.794 1.00 0.00 O ATOM 0 H TYR A 86 -0.883 0.217 0.399 1.00 0.00 H new ATOM 0 HA TYR A 86 -1.769 -1.425 2.666 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -3.485 -0.245 0.512 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -3.782 -1.918 0.939 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -4.214 -2.454 3.437 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -4.351 1.502 1.860 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -5.530 -1.728 5.377 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -5.663 2.232 3.803 1.00 0.00 H new ATOM 0 HH TYR A 86 -6.902 1.522 5.569 1.00 0.00 H new ATOM 1333 N PHE A 87 -1.114 -3.453 1.397 1.00 0.00 N ATOM 1334 CA PHE A 87 -0.578 -4.618 0.704 1.00 0.00 C ATOM 1335 C PHE A 87 -1.664 -5.666 0.481 1.00 0.00 C ATOM 1336 O PHE A 87 -2.200 -6.233 1.433 1.00 0.00 O ATOM 1337 CB PHE A 87 0.577 -5.226 1.501 1.00 0.00 C ATOM 1338 CG PHE A 87 1.354 -6.260 0.738 1.00 0.00 C ATOM 1339 CD1 PHE A 87 0.899 -7.566 0.654 1.00 0.00 C ATOM 1340 CD2 PHE A 87 2.540 -5.927 0.104 1.00 0.00 C ATOM 1341 CE1 PHE A 87 1.611 -8.520 -0.048 1.00 0.00 C ATOM 1342 CE2 PHE A 87 3.256 -6.876 -0.600 1.00 0.00 C ATOM 1343 CZ PHE A 87 2.792 -8.175 -0.675 1.00 0.00 C ATOM 0 H PHE A 87 -1.307 -3.604 2.387 1.00 0.00 H new ATOM 0 HA PHE A 87 -0.207 -4.292 -0.268 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.254 -4.429 1.810 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.182 -5.678 2.410 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -0.023 -7.842 1.143 1.00 0.00 H new ATOM 0 HD2 PHE A 87 2.909 -4.914 0.161 1.00 0.00 H new ATOM 0 HE1 PHE A 87 1.244 -9.534 -0.106 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.178 -6.602 -1.091 1.00 0.00 H new ATOM 0 HZ PHE A 87 3.352 -8.919 -1.223 1.00 0.00 H new ATOM 1353 N ALA A 88 -1.985 -5.917 -0.784 1.00 0.00 N ATOM 1354 CA ALA A 88 -3.006 -6.897 -1.133 1.00 0.00 C ATOM 1355 C ALA A 88 -2.376 -8.196 -1.623 1.00 0.00 C ATOM 1356 O ALA A 88 -2.032 -8.344 -2.796 1.00 0.00 O ATOM 1357 CB ALA A 88 -3.942 -6.330 -2.191 1.00 0.00 C ATOM 0 H ALA A 88 -1.553 -5.455 -1.584 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.582 -7.120 -0.235 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -4.699 -7.072 -2.442 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.427 -5.433 -1.805 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.371 -6.078 -3.084 1.00 0.00 H new ATOM 1363 N PRO A 89 -2.219 -9.162 -0.706 1.00 0.00 N ATOM 1364 CA PRO A 89 -1.629 -10.466 -1.022 1.00 0.00 C ATOM 1365 C PRO A 89 -2.538 -11.315 -1.903 1.00 0.00 C ATOM 1366 O PRO A 89 -3.706 -11.531 -1.580 1.00 0.00 O ATOM 1367 CB PRO A 89 -1.453 -11.118 0.352 1.00 0.00 C ATOM 1368 CG PRO A 89 -2.478 -10.466 1.215 1.00 0.00 C ATOM 1369 CD PRO A 89 -2.606 -9.055 0.711 1.00 0.00 C ATOM 0 HA PRO A 89 -0.700 -10.368 -1.584 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -1.606 -12.196 0.301 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -0.448 -10.957 0.741 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -3.431 -10.991 1.153 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -2.174 -10.481 2.262 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -3.623 -8.679 0.822 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -1.953 -8.373 1.255 1.00 0.00 H new ATOM 1377 N SER A 90 -1.994 -11.796 -3.017 1.00 0.00 N ATOM 1378 CA SER A 90 -2.758 -12.620 -3.946 1.00 0.00 C ATOM 1379 C SER A 90 -3.279 -13.876 -3.256 1.00 0.00 C ATOM 1380 O SER A 90 -2.520 -14.800 -2.967 1.00 0.00 O ATOM 1381 CB SER A 90 -1.893 -13.006 -5.148 1.00 0.00 C ATOM 1382 OG SER A 90 -1.069 -14.118 -4.847 1.00 0.00 O ATOM 0 H SER A 90 -1.028 -11.629 -3.298 1.00 0.00 H new ATOM 0 HA SER A 90 -3.611 -12.037 -4.293 1.00 0.00 H new ATOM 0 HB2 SER A 90 -2.532 -13.243 -5.999 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.273 -12.159 -5.441 1.00 0.00 H new ATOM 0 HG SER A 90 -1.078 -14.280 -3.880 1.00 0.00 H new ATOM 1388 N GLY A 91 -4.583 -13.903 -2.995 1.00 0.00 N ATOM 1389 CA GLY A 91 -5.185 -15.050 -2.341 1.00 0.00 C ATOM 1390 C GLY A 91 -5.827 -14.691 -1.016 1.00 0.00 C ATOM 1391 O GLY A 91 -6.883 -15.219 -0.667 1.00 0.00 O ATOM 0 H GLY A 91 -5.233 -13.151 -3.225 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -5.937 -15.486 -2.999 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -4.423 -15.812 -2.177 1.00 0.00 H new ATOM 1395 N ASP A 92 -5.189 -13.792 -0.275 1.00 0.00 N ATOM 1396 CA ASP A 92 -5.704 -13.363 1.020 1.00 0.00 C ATOM 1397 C ASP A 92 -5.990 -11.864 1.021 1.00 0.00 C ATOM 1398 O ASP A 92 -5.842 -11.194 2.043 1.00 0.00 O ATOM 1399 CB ASP A 92 -4.707 -13.706 2.128 1.00 0.00 C ATOM 1400 CG ASP A 92 -4.550 -15.201 2.323 1.00 0.00 C ATOM 1401 OD1 ASP A 92 -3.962 -15.856 1.437 1.00 0.00 O ATOM 1402 OD2 ASP A 92 -5.014 -15.715 3.362 1.00 0.00 O ATOM 0 H ASP A 92 -4.314 -13.346 -0.549 1.00 0.00 H new ATOM 0 HA ASP A 92 -6.638 -13.893 1.206 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -3.737 -13.270 1.888 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.037 -13.253 3.063 1.00 0.00 H new ATOM 1407 N LYS A 93 -6.399 -11.344 -0.131 1.00 0.00 N ATOM 1408 CA LYS A 93 -6.707 -9.925 -0.264 1.00 0.00 C ATOM 1409 C LYS A 93 -7.795 -9.509 0.721 1.00 0.00 C ATOM 1410 O LYS A 93 -7.754 -8.414 1.282 1.00 0.00 O ATOM 1411 CB LYS A 93 -7.151 -9.610 -1.694 1.00 0.00 C ATOM 1412 CG LYS A 93 -6.195 -10.126 -2.755 1.00 0.00 C ATOM 1413 CD LYS A 93 -6.233 -9.264 -4.006 1.00 0.00 C ATOM 1414 CE LYS A 93 -5.043 -9.543 -4.912 1.00 0.00 C ATOM 1415 NZ LYS A 93 -3.824 -8.813 -4.467 1.00 0.00 N ATOM 0 H LYS A 93 -6.525 -11.884 -0.987 1.00 0.00 H new ATOM 0 HA LYS A 93 -5.802 -9.360 -0.038 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.137 -10.043 -1.863 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -7.254 -8.530 -1.804 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.181 -10.144 -2.355 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.455 -11.153 -3.012 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -7.158 -9.452 -4.551 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -6.238 -8.211 -3.724 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.840 -10.614 -4.926 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -5.288 -9.252 -5.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -3.093 -8.877 -5.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -4.060 -7.814 -4.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.467 -9.237 -3.587 1.00 0.00 H new ATOM 1429 N LYS A 94 -8.767 -10.391 0.929 1.00 0.00 N ATOM 1430 CA LYS A 94 -9.865 -10.118 1.848 1.00 0.00 C ATOM 1431 C LYS A 94 -9.373 -9.351 3.071 1.00 0.00 C ATOM 1432 O LYS A 94 -10.092 -8.522 3.627 1.00 0.00 O ATOM 1433 CB LYS A 94 -10.528 -11.425 2.286 1.00 0.00 C ATOM 1434 CG LYS A 94 -11.627 -11.894 1.347 1.00 0.00 C ATOM 1435 CD LYS A 94 -11.070 -12.285 -0.012 1.00 0.00 C ATOM 1436 CE LYS A 94 -12.174 -12.722 -0.962 1.00 0.00 C ATOM 1437 NZ LYS A 94 -11.631 -13.418 -2.161 1.00 0.00 N ATOM 0 H LYS A 94 -8.816 -11.302 0.473 1.00 0.00 H new ATOM 0 HA LYS A 94 -10.598 -9.503 1.326 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -9.767 -12.202 2.358 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -10.946 -11.294 3.284 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -12.145 -12.746 1.788 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -12.365 -11.101 1.224 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -10.531 -11.441 -0.442 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -10.350 -13.095 0.108 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -12.863 -13.385 -0.438 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -12.748 -11.851 -1.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -12.415 -13.700 -2.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -10.994 -12.777 -2.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -11.105 -14.264 -1.863 1.00 0.00 H new ATOM 1451 N ASN A 95 -8.141 -9.632 3.484 1.00 0.00 N ATOM 1452 CA ASN A 95 -7.552 -8.968 4.641 1.00 0.00 C ATOM 1453 C ASN A 95 -6.342 -8.133 4.232 1.00 0.00 C ATOM 1454 O ASN A 95 -5.216 -8.625 4.152 1.00 0.00 O ATOM 1455 CB ASN A 95 -7.142 -9.999 5.694 1.00 0.00 C ATOM 1456 CG ASN A 95 -8.335 -10.725 6.287 1.00 0.00 C ATOM 1457 OD1 ASN A 95 -9.138 -10.136 7.010 1.00 0.00 O ATOM 1458 ND2 ASN A 95 -8.454 -12.012 5.983 1.00 0.00 N ATOM 0 H ASN A 95 -7.531 -10.315 3.034 1.00 0.00 H new ATOM 0 HA ASN A 95 -8.303 -8.303 5.067 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -6.465 -10.725 5.244 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -6.590 -9.501 6.491 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -9.235 -12.553 6.353 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -7.764 -12.459 5.379 1.00 0.00 H new ATOM 1465 N PRO A 96 -6.578 -6.840 3.968 1.00 0.00 N ATOM 1466 CA PRO A 96 -5.519 -5.909 3.564 1.00 0.00 C ATOM 1467 C PRO A 96 -4.552 -5.602 4.702 1.00 0.00 C ATOM 1468 O PRO A 96 -4.906 -5.710 5.876 1.00 0.00 O ATOM 1469 CB PRO A 96 -6.290 -4.649 3.162 1.00 0.00 C ATOM 1470 CG PRO A 96 -7.564 -4.723 3.929 1.00 0.00 C ATOM 1471 CD PRO A 96 -7.895 -6.186 4.043 1.00 0.00 C ATOM 0 HA PRO A 96 -4.898 -6.318 2.767 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.731 -3.747 3.410 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -6.475 -4.624 2.088 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -7.453 -4.270 4.914 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -8.360 -4.182 3.417 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -8.403 -6.411 4.981 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -8.553 -6.513 3.238 1.00 0.00 H new ATOM 1479 N ILE A 97 -3.331 -5.218 4.346 1.00 0.00 N ATOM 1480 CA ILE A 97 -2.313 -4.894 5.339 1.00 0.00 C ATOM 1481 C ILE A 97 -1.776 -3.482 5.134 1.00 0.00 C ATOM 1482 O ILE A 97 -1.045 -3.216 4.179 1.00 0.00 O ATOM 1483 CB ILE A 97 -1.140 -5.890 5.289 1.00 0.00 C ATOM 1484 CG1 ILE A 97 -1.664 -7.328 5.273 1.00 0.00 C ATOM 1485 CG2 ILE A 97 -0.210 -5.673 6.473 1.00 0.00 C ATOM 1486 CD1 ILE A 97 -0.760 -8.291 4.536 1.00 0.00 C ATOM 0 H ILE A 97 -3.022 -5.124 3.378 1.00 0.00 H new ATOM 0 HA ILE A 97 -2.792 -4.960 6.316 1.00 0.00 H new ATOM 0 HB ILE A 97 -0.576 -5.718 4.372 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -1.789 -7.672 6.300 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.651 -7.342 4.810 1.00 0.00 H new ATOM 0 HG21 ILE A 97 0.614 -6.385 6.424 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.185 -4.658 6.444 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -0.762 -5.821 7.401 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -1.193 -9.291 4.565 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -0.655 -7.971 3.499 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.220 -8.306 5.012 1.00 0.00 H new ATOM 1498 N LYS A 98 -2.140 -2.578 6.037 1.00 0.00 N ATOM 1499 CA LYS A 98 -1.693 -1.193 5.958 1.00 0.00 C ATOM 1500 C LYS A 98 -0.318 -1.028 6.598 1.00 0.00 C ATOM 1501 O LYS A 98 0.055 -1.784 7.496 1.00 0.00 O ATOM 1502 CB LYS A 98 -2.701 -0.270 6.647 1.00 0.00 C ATOM 1503 CG LYS A 98 -2.190 1.147 6.847 1.00 0.00 C ATOM 1504 CD LYS A 98 -3.334 2.132 7.025 1.00 0.00 C ATOM 1505 CE LYS A 98 -3.740 2.256 8.485 1.00 0.00 C ATOM 1506 NZ LYS A 98 -4.711 1.200 8.883 1.00 0.00 N ATOM 0 H LYS A 98 -2.744 -2.780 6.833 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.620 -0.921 4.905 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.615 -0.237 6.054 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.964 -0.693 7.617 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.540 1.181 7.722 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.585 1.441 5.989 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.037 3.109 6.645 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.191 1.807 6.434 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.853 2.190 9.115 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -4.181 3.238 8.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.227 1.505 9.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -5.385 1.038 8.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -4.200 0.317 9.087 1.00 0.00 H new ATOM 1520 N PHE A 99 0.432 -0.035 6.131 1.00 0.00 N ATOM 1521 CA PHE A 99 1.766 0.229 6.658 1.00 0.00 C ATOM 1522 C PHE A 99 1.712 1.257 7.784 1.00 0.00 C ATOM 1523 O PHE A 99 1.285 2.393 7.581 1.00 0.00 O ATOM 1524 CB PHE A 99 2.689 0.725 5.543 1.00 0.00 C ATOM 1525 CG PHE A 99 4.041 1.158 6.033 1.00 0.00 C ATOM 1526 CD1 PHE A 99 4.205 2.382 6.663 1.00 0.00 C ATOM 1527 CD2 PHE A 99 5.148 0.342 5.864 1.00 0.00 C ATOM 1528 CE1 PHE A 99 5.448 2.783 7.113 1.00 0.00 C ATOM 1529 CE2 PHE A 99 6.394 0.738 6.313 1.00 0.00 C ATOM 1530 CZ PHE A 99 6.544 1.960 6.940 1.00 0.00 C ATOM 0 H PHE A 99 0.139 0.600 5.389 1.00 0.00 H new ATOM 0 HA PHE A 99 2.162 -0.704 7.060 1.00 0.00 H new ATOM 0 HB2 PHE A 99 2.815 -0.069 4.807 1.00 0.00 H new ATOM 0 HB3 PHE A 99 2.212 1.561 5.032 1.00 0.00 H new ATOM 0 HD1 PHE A 99 3.352 3.029 6.803 1.00 0.00 H new ATOM 0 HD2 PHE A 99 5.036 -0.615 5.376 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.563 3.740 7.600 1.00 0.00 H new ATOM 0 HE2 PHE A 99 7.249 0.093 6.174 1.00 0.00 H new ATOM 0 HZ PHE A 99 7.516 2.271 7.294 1.00 0.00 H new ATOM 1540 N GLU A 100 2.147 0.849 8.972 1.00 0.00 N ATOM 1541 CA GLU A 100 2.147 1.734 10.131 1.00 0.00 C ATOM 1542 C GLU A 100 3.563 1.932 10.665 1.00 0.00 C ATOM 1543 O GLU A 100 3.961 1.307 11.646 1.00 0.00 O ATOM 1544 CB GLU A 100 1.250 1.168 11.233 1.00 0.00 C ATOM 1545 CG GLU A 100 -0.235 1.326 10.950 1.00 0.00 C ATOM 1546 CD GLU A 100 -1.080 1.240 12.206 1.00 0.00 C ATOM 1547 OE1 GLU A 100 -1.374 0.109 12.647 1.00 0.00 O ATOM 1548 OE2 GLU A 100 -1.448 2.303 12.748 1.00 0.00 O ATOM 0 H GLU A 100 2.504 -0.088 9.157 1.00 0.00 H new ATOM 0 HA GLU A 100 1.757 2.702 9.816 1.00 0.00 H new ATOM 0 HB2 GLU A 100 1.475 0.110 11.366 1.00 0.00 H new ATOM 0 HB3 GLU A 100 1.487 1.665 12.174 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -0.408 2.287 10.465 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -0.552 0.553 10.250 1.00 0.00 H new ATOM 1583 N ARG A 104 8.181 6.677 7.261 1.00 0.00 N ATOM 1584 CA ARG A 104 7.844 6.164 5.938 1.00 0.00 C ATOM 1585 C ARG A 104 8.972 6.435 4.946 1.00 0.00 C ATOM 1586 O ARG A 104 8.986 7.467 4.274 1.00 0.00 O ATOM 1587 CB ARG A 104 6.546 6.799 5.437 1.00 0.00 C ATOM 1588 CG ARG A 104 5.293 6.090 5.925 1.00 0.00 C ATOM 1589 CD ARG A 104 4.086 6.442 5.070 1.00 0.00 C ATOM 1590 NE ARG A 104 2.831 6.271 5.799 1.00 0.00 N ATOM 1591 CZ ARG A 104 2.377 7.140 6.694 1.00 0.00 C ATOM 1592 NH1 ARG A 104 3.070 8.236 6.970 1.00 0.00 N ATOM 1593 NH2 ARG A 104 1.227 6.914 7.315 1.00 0.00 N ATOM 0 HA ARG A 104 7.705 5.086 6.018 1.00 0.00 H new ATOM 0 HB2 ARG A 104 6.513 7.840 5.759 1.00 0.00 H new ATOM 0 HB3 ARG A 104 6.550 6.802 4.347 1.00 0.00 H new ATOM 0 HG2 ARG A 104 5.452 5.012 5.905 1.00 0.00 H new ATOM 0 HG3 ARG A 104 5.099 6.365 6.962 1.00 0.00 H new ATOM 0 HD2 ARG A 104 4.171 7.474 4.731 1.00 0.00 H new ATOM 0 HD3 ARG A 104 4.077 5.814 4.179 1.00 0.00 H new ATOM 0 HE ARG A 104 2.273 5.438 5.610 1.00 0.00 H new ATOM 0 HH11 ARG A 104 3.955 8.413 6.494 1.00 0.00 H new ATOM 0 HH12 ARG A 104 2.719 8.902 7.658 1.00 0.00 H new ATOM 0 HH21 ARG A 104 0.691 6.072 7.105 1.00 0.00 H new ATOM 0 HH22 ARG A 104 0.879 7.582 8.003 1.00 0.00 H new ATOM 1607 N ASP A 105 9.915 5.504 4.862 1.00 0.00 N ATOM 1608 CA ASP A 105 11.047 5.642 3.952 1.00 0.00 C ATOM 1609 C ASP A 105 11.203 4.395 3.086 1.00 0.00 C ATOM 1610 O ASP A 105 10.491 3.407 3.268 1.00 0.00 O ATOM 1611 CB ASP A 105 12.333 5.896 4.739 1.00 0.00 C ATOM 1612 CG ASP A 105 12.207 7.069 5.691 1.00 0.00 C ATOM 1613 OD1 ASP A 105 12.417 8.218 5.248 1.00 0.00 O ATOM 1614 OD2 ASP A 105 11.899 6.838 6.878 1.00 0.00 O ATOM 0 H ASP A 105 9.919 4.645 5.413 1.00 0.00 H new ATOM 0 HA ASP A 105 10.856 6.494 3.299 1.00 0.00 H new ATOM 0 HB2 ASP A 105 12.593 5.000 5.303 1.00 0.00 H new ATOM 0 HB3 ASP A 105 13.151 6.083 4.043 1.00 0.00 H new ATOM 1619 N LEU A 106 12.137 4.450 2.144 1.00 0.00 N ATOM 1620 CA LEU A 106 12.387 3.325 1.248 1.00 0.00 C ATOM 1621 C LEU A 106 12.967 2.139 2.012 1.00 0.00 C ATOM 1622 O LEU A 106 12.755 0.986 1.639 1.00 0.00 O ATOM 1623 CB LEU A 106 13.342 3.742 0.128 1.00 0.00 C ATOM 1624 CG LEU A 106 13.948 2.605 -0.695 1.00 0.00 C ATOM 1625 CD1 LEU A 106 12.977 2.150 -1.773 1.00 0.00 C ATOM 1626 CD2 LEU A 106 15.269 3.039 -1.313 1.00 0.00 C ATOM 0 H LEU A 106 12.734 5.261 1.980 1.00 0.00 H new ATOM 0 HA LEU A 106 11.436 3.022 0.811 1.00 0.00 H new ATOM 0 HB2 LEU A 106 12.807 4.409 -0.549 1.00 0.00 H new ATOM 0 HB3 LEU A 106 14.155 4.319 0.567 1.00 0.00 H new ATOM 0 HG LEU A 106 14.140 1.763 -0.030 1.00 0.00 H new ATOM 0 HD11 LEU A 106 13.426 1.340 -2.349 1.00 0.00 H new ATOM 0 HD12 LEU A 106 12.056 1.798 -1.308 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.752 2.985 -2.436 1.00 0.00 H new ATOM 0 HD21 LEU A 106 15.686 2.217 -1.895 1.00 0.00 H new ATOM 0 HD22 LEU A 106 15.102 3.897 -1.964 1.00 0.00 H new ATOM 0 HD23 LEU A 106 15.967 3.315 -0.523 1.00 0.00 H new ATOM 1638 N GLU A 107 13.698 2.432 3.083 1.00 0.00 N ATOM 1639 CA GLU A 107 14.307 1.388 3.899 1.00 0.00 C ATOM 1640 C GLU A 107 13.266 0.717 4.790 1.00 0.00 C ATOM 1641 O GLU A 107 13.321 -0.490 5.029 1.00 0.00 O ATOM 1642 CB GLU A 107 15.429 1.973 4.759 1.00 0.00 C ATOM 1643 CG GLU A 107 16.788 1.959 4.079 1.00 0.00 C ATOM 1644 CD GLU A 107 16.925 3.043 3.027 1.00 0.00 C ATOM 1645 OE1 GLU A 107 17.052 4.225 3.409 1.00 0.00 O ATOM 1646 OE2 GLU A 107 16.905 2.710 1.824 1.00 0.00 O ATOM 0 H GLU A 107 13.883 3.382 3.405 1.00 0.00 H new ATOM 0 HA GLU A 107 14.725 0.636 3.230 1.00 0.00 H new ATOM 0 HB2 GLU A 107 15.175 3.000 5.023 1.00 0.00 H new ATOM 0 HB3 GLU A 107 15.492 1.410 5.690 1.00 0.00 H new ATOM 0 HG2 GLU A 107 17.567 2.086 4.830 1.00 0.00 H new ATOM 0 HG3 GLU A 107 16.948 0.986 3.615 1.00 0.00 H new ATOM 1653 N HIS A 108 12.316 1.508 5.280 1.00 0.00 N ATOM 1654 CA HIS A 108 11.261 0.992 6.145 1.00 0.00 C ATOM 1655 C HIS A 108 10.181 0.292 5.325 1.00 0.00 C ATOM 1656 O HIS A 108 9.633 -0.728 5.744 1.00 0.00 O ATOM 1657 CB HIS A 108 10.643 2.126 6.963 1.00 0.00 C ATOM 1658 CG HIS A 108 11.595 2.751 7.935 1.00 0.00 C ATOM 1659 ND1 HIS A 108 11.982 4.073 7.866 1.00 0.00 N ATOM 1660 CD2 HIS A 108 12.239 2.228 9.005 1.00 0.00 C ATOM 1661 CE1 HIS A 108 12.823 4.335 8.850 1.00 0.00 C ATOM 1662 NE2 HIS A 108 12.995 3.233 9.557 1.00 0.00 N ATOM 0 H HIS A 108 12.255 2.509 5.093 1.00 0.00 H new ATOM 0 HA HIS A 108 11.705 0.265 6.825 1.00 0.00 H new ATOM 0 HB2 HIS A 108 10.274 2.894 6.283 1.00 0.00 H new ATOM 0 HB3 HIS A 108 9.781 1.742 7.508 1.00 0.00 H new ATOM 0 HD1 HIS A 108 11.668 4.744 7.165 1.00 0.00 H new ATOM 0 HD2 HIS A 108 12.171 1.210 9.359 1.00 0.00 H new ATOM 0 HE1 HIS A 108 13.291 5.289 9.044 1.00 0.00 H new ATOM 1671 N LEU A 109 9.879 0.847 4.157 1.00 0.00 N ATOM 1672 CA LEU A 109 8.863 0.277 3.279 1.00 0.00 C ATOM 1673 C LEU A 109 9.300 -1.087 2.755 1.00 0.00 C ATOM 1674 O LEU A 109 8.579 -2.075 2.890 1.00 0.00 O ATOM 1675 CB LEU A 109 8.586 1.221 2.107 1.00 0.00 C ATOM 1676 CG LEU A 109 7.843 2.513 2.448 1.00 0.00 C ATOM 1677 CD1 LEU A 109 7.890 3.481 1.276 1.00 0.00 C ATOM 1678 CD2 LEU A 109 6.403 2.214 2.838 1.00 0.00 C ATOM 0 H LEU A 109 10.323 1.691 3.796 1.00 0.00 H new ATOM 0 HA LEU A 109 7.948 0.148 3.858 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.538 1.484 1.645 1.00 0.00 H new ATOM 0 HB3 LEU A 109 8.007 0.679 1.359 1.00 0.00 H new ATOM 0 HG LEU A 109 8.339 2.980 3.299 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.356 4.395 1.537 1.00 0.00 H new ATOM 0 HD12 LEU A 109 8.928 3.721 1.044 1.00 0.00 H new ATOM 0 HD13 LEU A 109 7.420 3.022 0.406 1.00 0.00 H new ATOM 0 HD21 LEU A 109 5.890 3.145 3.077 1.00 0.00 H new ATOM 0 HD22 LEU A 109 5.896 1.723 2.008 1.00 0.00 H new ATOM 0 HD23 LEU A 109 6.390 1.559 3.709 1.00 0.00 H new ATOM 1690 N SER A 110 10.487 -1.134 2.158 1.00 0.00 N ATOM 1691 CA SER A 110 11.020 -2.377 1.612 1.00 0.00 C ATOM 1692 C SER A 110 11.075 -3.461 2.683 1.00 0.00 C ATOM 1693 O SER A 110 11.073 -4.654 2.378 1.00 0.00 O ATOM 1694 CB SER A 110 12.417 -2.146 1.032 1.00 0.00 C ATOM 1695 OG SER A 110 13.224 -1.400 1.926 1.00 0.00 O ATOM 0 H SER A 110 11.098 -0.326 2.040 1.00 0.00 H new ATOM 0 HA SER A 110 10.354 -2.710 0.816 1.00 0.00 H new ATOM 0 HB2 SER A 110 12.891 -3.105 0.824 1.00 0.00 H new ATOM 0 HB3 SER A 110 12.337 -1.617 0.082 1.00 0.00 H new ATOM 0 HG SER A 110 13.341 -0.491 1.580 1.00 0.00 H new ATOM 1701 N LYS A 111 11.123 -3.038 3.942 1.00 0.00 N ATOM 1702 CA LYS A 111 11.178 -3.971 5.062 1.00 0.00 C ATOM 1703 C LYS A 111 9.781 -4.463 5.428 1.00 0.00 C ATOM 1704 O LYS A 111 9.628 -5.474 6.114 1.00 0.00 O ATOM 1705 CB LYS A 111 11.830 -3.306 6.275 1.00 0.00 C ATOM 1706 CG LYS A 111 13.348 -3.273 6.208 1.00 0.00 C ATOM 1707 CD LYS A 111 13.951 -2.722 7.490 1.00 0.00 C ATOM 1708 CE LYS A 111 15.408 -2.332 7.297 1.00 0.00 C ATOM 1709 NZ LYS A 111 15.547 -1.096 6.477 1.00 0.00 N ATOM 0 H LYS A 111 11.125 -2.055 4.213 1.00 0.00 H new ATOM 0 HA LYS A 111 11.779 -4.829 4.759 1.00 0.00 H new ATOM 0 HB2 LYS A 111 11.456 -2.286 6.364 1.00 0.00 H new ATOM 0 HB3 LYS A 111 11.526 -3.837 7.177 1.00 0.00 H new ATOM 0 HG2 LYS A 111 13.727 -4.279 6.030 1.00 0.00 H new ATOM 0 HG3 LYS A 111 13.663 -2.659 5.364 1.00 0.00 H new ATOM 0 HD2 LYS A 111 13.381 -1.853 7.817 1.00 0.00 H new ATOM 0 HD3 LYS A 111 13.875 -3.469 8.280 1.00 0.00 H new ATOM 0 HE2 LYS A 111 15.874 -2.177 8.270 1.00 0.00 H new ATOM 0 HE3 LYS A 111 15.942 -3.150 6.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 16.170 -1.286 5.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 14.611 -0.800 6.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 15.957 -0.338 7.059 1.00 0.00 H new ATOM 1723 N PHE A 112 8.765 -3.742 4.966 1.00 0.00 N ATOM 1724 CA PHE A 112 7.380 -4.106 5.245 1.00 0.00 C ATOM 1725 C PHE A 112 6.785 -4.908 4.090 1.00 0.00 C ATOM 1726 O PHE A 112 5.745 -5.549 4.238 1.00 0.00 O ATOM 1727 CB PHE A 112 6.541 -2.851 5.494 1.00 0.00 C ATOM 1728 CG PHE A 112 5.061 -3.093 5.410 1.00 0.00 C ATOM 1729 CD1 PHE A 112 4.404 -3.028 4.192 1.00 0.00 C ATOM 1730 CD2 PHE A 112 4.328 -3.385 6.549 1.00 0.00 C ATOM 1731 CE1 PHE A 112 3.042 -3.250 4.112 1.00 0.00 C ATOM 1732 CE2 PHE A 112 2.966 -3.607 6.475 1.00 0.00 C ATOM 1733 CZ PHE A 112 2.322 -3.541 5.255 1.00 0.00 C ATOM 0 H PHE A 112 8.874 -2.903 4.397 1.00 0.00 H new ATOM 0 HA PHE A 112 7.367 -4.727 6.141 1.00 0.00 H new ATOM 0 HB2 PHE A 112 6.781 -2.453 6.480 1.00 0.00 H new ATOM 0 HB3 PHE A 112 6.818 -2.088 4.767 1.00 0.00 H new ATOM 0 HD1 PHE A 112 4.962 -2.801 3.295 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.827 -3.440 7.505 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.541 -3.196 3.157 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.406 -3.832 7.370 1.00 0.00 H new ATOM 0 HZ PHE A 112 1.258 -3.716 5.194 1.00 0.00 H new ATOM 1743 N ILE A 113 7.453 -4.865 2.942 1.00 0.00 N ATOM 1744 CA ILE A 113 6.991 -5.587 1.763 1.00 0.00 C ATOM 1745 C ILE A 113 7.536 -7.011 1.743 1.00 0.00 C ATOM 1746 O ILE A 113 6.778 -7.978 1.829 1.00 0.00 O ATOM 1747 CB ILE A 113 7.408 -4.871 0.465 1.00 0.00 C ATOM 1748 CG1 ILE A 113 6.752 -3.491 0.385 1.00 0.00 C ATOM 1749 CG2 ILE A 113 7.037 -5.712 -0.747 1.00 0.00 C ATOM 1750 CD1 ILE A 113 7.354 -2.596 -0.676 1.00 0.00 C ATOM 0 H ILE A 113 8.315 -4.338 2.803 1.00 0.00 H new ATOM 0 HA ILE A 113 5.903 -5.617 1.817 1.00 0.00 H new ATOM 0 HB ILE A 113 8.490 -4.738 0.472 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.688 -3.615 0.183 1.00 0.00 H new ATOM 0 HG13 ILE A 113 6.838 -3.000 1.354 1.00 0.00 H new ATOM 0 HG21 ILE A 113 7.338 -5.192 -1.657 1.00 0.00 H new ATOM 0 HG22 ILE A 113 7.547 -6.674 -0.693 1.00 0.00 H new ATOM 0 HG23 ILE A 113 5.959 -5.874 -0.762 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.840 -1.635 -0.676 1.00 0.00 H new ATOM 0 HD12 ILE A 113 8.412 -2.442 -0.464 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.244 -3.066 -1.653 1.00 0.00 H new ATOM 1762 N ASP A 114 8.854 -7.133 1.630 1.00 0.00 N ATOM 1763 CA ASP A 114 9.502 -8.439 1.601 1.00 0.00 C ATOM 1764 C ASP A 114 8.779 -9.424 2.514 1.00 0.00 C ATOM 1765 O ASP A 114 8.511 -10.561 2.128 1.00 0.00 O ATOM 1766 CB ASP A 114 10.967 -8.315 2.021 1.00 0.00 C ATOM 1767 CG ASP A 114 11.865 -7.894 0.874 1.00 0.00 C ATOM 1768 OD1 ASP A 114 11.537 -8.219 -0.286 1.00 0.00 O ATOM 1769 OD2 ASP A 114 12.895 -7.239 1.137 1.00 0.00 O ATOM 0 H ASP A 114 9.495 -6.343 1.557 1.00 0.00 H new ATOM 0 HA ASP A 114 9.457 -8.817 0.580 1.00 0.00 H new ATOM 0 HB2 ASP A 114 11.050 -7.588 2.829 1.00 0.00 H new ATOM 0 HB3 ASP A 114 11.311 -9.271 2.416 1.00 0.00 H new ATOM 1774 N GLU A 115 8.468 -8.979 3.728 1.00 0.00 N ATOM 1775 CA GLU A 115 7.779 -9.823 4.697 1.00 0.00 C ATOM 1776 C GLU A 115 6.553 -10.481 4.070 1.00 0.00 C ATOM 1777 O GLU A 115 6.559 -11.676 3.774 1.00 0.00 O ATOM 1778 CB GLU A 115 7.361 -9.001 5.918 1.00 0.00 C ATOM 1779 CG GLU A 115 7.193 -7.519 5.624 1.00 0.00 C ATOM 1780 CD GLU A 115 6.185 -6.854 6.542 1.00 0.00 C ATOM 1781 OE1 GLU A 115 6.591 -6.368 7.617 1.00 0.00 O ATOM 1782 OE2 GLU A 115 4.989 -6.820 6.182 1.00 0.00 O ATOM 0 H GLU A 115 8.682 -8.040 4.063 1.00 0.00 H new ATOM 0 HA GLU A 115 8.469 -10.605 5.014 1.00 0.00 H new ATOM 0 HB2 GLU A 115 6.422 -9.395 6.307 1.00 0.00 H new ATOM 0 HB3 GLU A 115 8.108 -9.125 6.702 1.00 0.00 H new ATOM 0 HG2 GLU A 115 8.157 -7.020 5.726 1.00 0.00 H new ATOM 0 HG3 GLU A 115 6.876 -7.391 4.589 1.00 0.00 H new ATOM 1789 N HIS A 116 5.502 -9.692 3.871 1.00 0.00 N ATOM 1790 CA HIS A 116 4.268 -10.197 3.279 1.00 0.00 C ATOM 1791 C HIS A 116 4.526 -10.766 1.887 1.00 0.00 C ATOM 1792 O HIS A 116 3.755 -11.586 1.389 1.00 0.00 O ATOM 1793 CB HIS A 116 3.222 -9.084 3.202 1.00 0.00 C ATOM 1794 CG HIS A 116 2.510 -8.839 4.497 1.00 0.00 C ATOM 1795 ND1 HIS A 116 1.705 -9.781 5.103 1.00 0.00 N ATOM 1796 CD2 HIS A 116 2.488 -7.752 5.303 1.00 0.00 C ATOM 1797 CE1 HIS A 116 1.217 -9.283 6.224 1.00 0.00 C ATOM 1798 NE2 HIS A 116 1.677 -8.053 6.370 1.00 0.00 N ATOM 0 H HIS A 116 5.480 -8.701 4.111 1.00 0.00 H new ATOM 0 HA HIS A 116 3.890 -10.998 3.915 1.00 0.00 H new ATOM 0 HB2 HIS A 116 3.708 -8.162 2.884 1.00 0.00 H new ATOM 0 HB3 HIS A 116 2.489 -9.338 2.436 1.00 0.00 H new ATOM 0 HD1 HIS A 116 1.516 -10.716 4.742 1.00 0.00 H new ATOM 0 HD2 HIS A 116 3.011 -6.821 5.138 1.00 0.00 H new ATOM 0 HE1 HIS A 116 0.554 -9.794 6.906 1.00 0.00 H new