USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=30 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 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 111 LYS NZ :NH3+ -145:sc= 0 (180deg=0) USER MOD Set 2.1: A 22 MET CE :methyl -115:sc= -8.11! (180deg=-9.51!) USER MOD Set 2.2: A 74 ASN :FLIP amide:sc= -1.01 F(o=-13,f=-10) USER MOD Set 2.3: A 77 TYR OH : rot -15:sc= -1.28 USER MOD Single : A 10 LYS NZ :NH3+ 142:sc= 1.15 (180deg=0.279) USER MOD Single : A 15 LYS NZ :NH3+ 156:sc= -0.0252 (180deg=-0.64) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.434 USER MOD Single : A 25 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0157) USER MOD Single : A 26 LYS NZ :NH3+ 178:sc= -1.25 (180deg=-1.27) USER MOD Single : A 33 TYR OH : rot -126:sc= 0.844 USER MOD Single : A 37 CYS SG : rot 180:sc= -0.207 USER MOD Single : A 39 HIS : no HE2:sc= -0.0326 X(o=-0.033,f=-0.27) USER MOD Single : A 40 CYS SG : rot -156:sc= -0.81 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.19 X(o=-0.19,f=0) USER MOD Single : A 47 TYR OH : rot 175:sc= -0.719 USER MOD Single : A 48 THR OG1 : rot 68:sc= 0.958 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0972) USER MOD Single : A 54 TYR OH : rot 180:sc= -1.77 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.349 K(o=-0.35,f=-0.88) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -164:sc= -0.0635 (180deg=-0.507) USER MOD Single : A 65 MET CE :methyl 158:sc= -1.82 (180deg=-3.24!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 1.05 K(o=1,f=-3.9!) USER MOD Single : A 73 THR OG1 : rot 170:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -1.95 K(o=-2,f=-7.4!) USER MOD Single : A 78 LYS NZ :NH3+ 155:sc= -0.172 (180deg=-0.711) USER MOD Single : A 84 THR OG1 : rot -41:sc= 0.724 USER MOD Single : A 86 TYR OH : rot -163:sc= 0.151 USER MOD Single : A 90 SER OG : rot -1:sc= 0.863 USER MOD Single : A 93 LYS NZ :NH3+ 153:sc= -2.06 (180deg=-2.29) 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=-0.096) USER MOD Single : A 98 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.378) USER MOD Single : A 110 SER OG : rot -105:sc= 0.188 USER MOD Single : A 116 HIS :FLIP no HE2:sc= -8.05! C(o=-8.6!,f=-8!) USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 7.845 4.663 -12.627 1.00 0.00 N ATOM 67 CA PRO A 8 7.827 3.207 -12.457 1.00 0.00 C ATOM 68 C PRO A 8 6.565 2.721 -11.754 1.00 0.00 C ATOM 69 O PRO A 8 5.966 1.721 -12.151 1.00 0.00 O ATOM 70 CB PRO A 8 9.060 2.937 -11.590 1.00 0.00 C ATOM 71 CG PRO A 8 9.286 4.208 -10.847 1.00 0.00 C ATOM 72 CD PRO A 8 8.853 5.312 -11.772 1.00 0.00 C ATOM 0 HA PRO A 8 7.838 2.684 -13.413 1.00 0.00 H new ATOM 0 HB2 PRO A 8 8.889 2.104 -10.908 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.924 2.676 -12.201 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.711 4.226 -9.921 1.00 0.00 H new ATOM 0 HG3 PRO A 8 10.335 4.318 -10.572 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.432 6.155 -11.223 1.00 0.00 H new ATOM 0 HD3 PRO A 8 9.688 5.697 -12.357 1.00 0.00 H new ATOM 80 N VAL A 9 6.163 3.435 -10.707 1.00 0.00 N ATOM 81 CA VAL A 9 4.970 3.077 -9.949 1.00 0.00 C ATOM 82 C VAL A 9 3.738 3.047 -10.846 1.00 0.00 C ATOM 83 O VAL A 9 3.397 4.042 -11.485 1.00 0.00 O ATOM 84 CB VAL A 9 4.725 4.062 -8.790 1.00 0.00 C ATOM 85 CG1 VAL A 9 3.513 3.636 -7.975 1.00 0.00 C ATOM 86 CG2 VAL A 9 5.960 4.166 -7.909 1.00 0.00 C ATOM 0 H VAL A 9 6.647 4.265 -10.364 1.00 0.00 H new ATOM 0 HA VAL A 9 5.142 2.082 -9.539 1.00 0.00 H new ATOM 0 HB VAL A 9 4.523 5.047 -9.210 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.355 4.343 -7.161 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.632 3.618 -8.616 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.683 2.641 -7.563 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.769 4.866 -7.096 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.196 3.185 -7.496 1.00 0.00 H new ATOM 0 HG23 VAL A 9 6.802 4.521 -8.503 1.00 0.00 H new ATOM 96 N LYS A 10 3.072 1.898 -10.889 1.00 0.00 N ATOM 97 CA LYS A 10 1.875 1.737 -11.706 1.00 0.00 C ATOM 98 C LYS A 10 0.687 2.460 -11.080 1.00 0.00 C ATOM 99 O LYS A 10 0.463 2.376 -9.872 1.00 0.00 O ATOM 100 CB LYS A 10 1.548 0.252 -11.880 1.00 0.00 C ATOM 101 CG LYS A 10 0.198 -0.002 -12.527 1.00 0.00 C ATOM 102 CD LYS A 10 0.313 -0.098 -14.039 1.00 0.00 C ATOM 103 CE LYS A 10 -1.010 0.217 -14.720 1.00 0.00 C ATOM 104 NZ LYS A 10 -1.171 1.676 -14.969 1.00 0.00 N ATOM 0 H LYS A 10 3.341 1.064 -10.367 1.00 0.00 H new ATOM 0 HA LYS A 10 2.071 2.177 -12.684 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.325 -0.214 -12.486 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.571 -0.233 -10.904 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.227 -0.926 -12.134 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.490 0.802 -12.264 1.00 0.00 H new ATOM 0 HD2 LYS A 10 1.078 0.593 -14.391 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.637 -1.101 -14.317 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.069 -0.322 -15.666 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.832 -0.138 -14.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.636 1.822 -15.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.753 2.095 -14.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.236 2.132 -14.978 1.00 0.00 H new ATOM 118 N VAL A 11 -0.072 3.169 -11.909 1.00 0.00 N ATOM 119 CA VAL A 11 -1.239 3.904 -11.436 1.00 0.00 C ATOM 120 C VAL A 11 -2.524 3.128 -11.704 1.00 0.00 C ATOM 121 O VAL A 11 -2.742 2.629 -12.808 1.00 0.00 O ATOM 122 CB VAL A 11 -1.340 5.288 -12.106 1.00 0.00 C ATOM 123 CG1 VAL A 11 0.046 5.826 -12.429 1.00 0.00 C ATOM 124 CG2 VAL A 11 -2.197 5.211 -13.360 1.00 0.00 C ATOM 0 H VAL A 11 0.100 3.250 -12.911 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.115 4.036 -10.361 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.818 5.977 -11.409 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.044 6.804 -12.902 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.623 5.919 -11.509 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.553 5.140 -13.108 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.258 6.197 -13.820 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.750 4.509 -14.064 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.199 4.872 -13.096 1.00 0.00 H new ATOM 134 N VAL A 12 -3.372 3.030 -10.685 1.00 0.00 N ATOM 135 CA VAL A 12 -4.637 2.315 -10.811 1.00 0.00 C ATOM 136 C VAL A 12 -5.818 3.229 -10.502 1.00 0.00 C ATOM 137 O VAL A 12 -5.706 4.155 -9.697 1.00 0.00 O ATOM 138 CB VAL A 12 -4.688 1.095 -9.872 1.00 0.00 C ATOM 139 CG1 VAL A 12 -6.054 0.429 -9.934 1.00 0.00 C ATOM 140 CG2 VAL A 12 -3.587 0.106 -10.226 1.00 0.00 C ATOM 0 H VAL A 12 -3.206 3.436 -9.764 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.706 1.973 -11.844 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.524 1.437 -8.850 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.070 -0.431 -9.264 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.820 1.142 -9.629 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.252 0.098 -10.954 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.637 -0.750 -9.553 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.718 -0.232 -11.254 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.616 0.591 -10.125 1.00 0.00 H new ATOM 150 N VAL A 13 -6.950 2.963 -11.146 1.00 0.00 N ATOM 151 CA VAL A 13 -8.152 3.761 -10.939 1.00 0.00 C ATOM 152 C VAL A 13 -9.302 2.899 -10.428 1.00 0.00 C ATOM 153 O VAL A 13 -9.167 1.684 -10.289 1.00 0.00 O ATOM 154 CB VAL A 13 -8.591 4.463 -12.238 1.00 0.00 C ATOM 155 CG1 VAL A 13 -7.518 5.432 -12.710 1.00 0.00 C ATOM 156 CG2 VAL A 13 -8.906 3.437 -13.317 1.00 0.00 C ATOM 0 H VAL A 13 -7.059 2.201 -11.815 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.906 4.516 -10.192 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.497 5.033 -12.034 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.846 5.918 -13.629 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.345 6.186 -11.942 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.593 4.887 -12.898 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.215 3.950 -14.228 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.018 2.839 -13.521 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.712 2.786 -12.976 1.00 0.00 H new ATOM 166 N GLY A 14 -10.434 3.538 -10.148 1.00 0.00 N ATOM 167 CA GLY A 14 -11.591 2.814 -9.654 1.00 0.00 C ATOM 168 C GLY A 14 -12.073 1.758 -10.629 1.00 0.00 C ATOM 169 O GLY A 14 -12.634 0.739 -10.225 1.00 0.00 O ATOM 0 H GLY A 14 -10.570 4.543 -10.254 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.341 2.341 -8.704 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.399 3.518 -9.457 1.00 0.00 H new ATOM 173 N LYS A 15 -11.856 2.000 -11.917 1.00 0.00 N ATOM 174 CA LYS A 15 -12.272 1.063 -12.953 1.00 0.00 C ATOM 175 C LYS A 15 -11.247 -0.055 -13.119 1.00 0.00 C ATOM 176 O LYS A 15 -11.548 -1.110 -13.678 1.00 0.00 O ATOM 177 CB LYS A 15 -12.465 1.794 -14.284 1.00 0.00 C ATOM 178 CG LYS A 15 -11.227 1.794 -15.163 1.00 0.00 C ATOM 179 CD LYS A 15 -11.151 3.047 -16.020 1.00 0.00 C ATOM 180 CE LYS A 15 -11.921 2.879 -17.321 1.00 0.00 C ATOM 181 NZ LYS A 15 -13.392 2.984 -17.112 1.00 0.00 N ATOM 0 H LYS A 15 -11.394 2.838 -12.269 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.220 0.621 -12.648 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.287 1.329 -14.828 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -12.758 2.825 -14.084 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.336 1.725 -14.538 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.235 0.913 -15.805 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -11.553 3.894 -15.464 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -10.108 3.276 -16.240 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -11.600 3.639 -18.034 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.685 1.910 -17.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -13.849 3.270 -18.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -13.767 2.062 -16.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -13.589 3.694 -16.378 1.00 0.00 H new ATOM 195 N THR A 16 -10.034 0.183 -12.630 1.00 0.00 N ATOM 196 CA THR A 16 -8.965 -0.803 -12.724 1.00 0.00 C ATOM 197 C THR A 16 -8.402 -1.136 -11.347 1.00 0.00 C ATOM 198 O THR A 16 -7.279 -1.626 -11.226 1.00 0.00 O ATOM 199 CB THR A 16 -7.821 -0.307 -13.627 1.00 0.00 C ATOM 200 OG1 THR A 16 -7.191 0.836 -13.037 1.00 0.00 O ATOM 201 CG2 THR A 16 -8.341 0.053 -15.011 1.00 0.00 C ATOM 0 H THR A 16 -9.768 1.051 -12.165 1.00 0.00 H new ATOM 0 HA THR A 16 -9.401 -1.701 -13.163 1.00 0.00 H new ATOM 0 HB THR A 16 -7.093 -1.112 -13.727 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.463 1.144 -13.617 1.00 0.00 H new ATOM 0 HG21 THR A 16 -7.515 0.401 -15.631 1.00 0.00 H new ATOM 0 HG22 THR A 16 -8.794 -0.826 -15.470 1.00 0.00 H new ATOM 0 HG23 THR A 16 -9.088 0.843 -14.925 1.00 0.00 H new ATOM 209 N PHE A 17 -9.189 -0.868 -10.310 1.00 0.00 N ATOM 210 CA PHE A 17 -8.768 -1.139 -8.940 1.00 0.00 C ATOM 211 C PHE A 17 -9.069 -2.585 -8.555 1.00 0.00 C ATOM 212 O PHE A 17 -8.172 -3.337 -8.175 1.00 0.00 O ATOM 213 CB PHE A 17 -9.467 -0.184 -7.971 1.00 0.00 C ATOM 214 CG PHE A 17 -9.102 -0.417 -6.532 1.00 0.00 C ATOM 215 CD1 PHE A 17 -9.544 -1.548 -5.865 1.00 0.00 C ATOM 216 CD2 PHE A 17 -8.316 0.496 -5.847 1.00 0.00 C ATOM 217 CE1 PHE A 17 -9.210 -1.765 -4.542 1.00 0.00 C ATOM 218 CE2 PHE A 17 -7.978 0.284 -4.524 1.00 0.00 C ATOM 219 CZ PHE A 17 -8.426 -0.847 -3.870 1.00 0.00 C ATOM 0 H PHE A 17 -10.122 -0.463 -10.392 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.691 -0.982 -8.879 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.216 0.842 -8.240 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -10.546 -0.288 -8.085 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.157 -2.269 -6.386 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -7.964 1.383 -6.353 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -9.561 -2.651 -4.034 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.364 1.002 -4.002 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.164 -1.013 -2.836 1.00 0.00 H new ATOM 229 N ASP A 18 -10.338 -2.965 -8.656 1.00 0.00 N ATOM 230 CA ASP A 18 -10.759 -4.320 -8.318 1.00 0.00 C ATOM 231 C ASP A 18 -10.163 -5.332 -9.291 1.00 0.00 C ATOM 232 O ASP A 18 -10.269 -6.541 -9.087 1.00 0.00 O ATOM 233 CB ASP A 18 -12.286 -4.420 -8.331 1.00 0.00 C ATOM 234 CG ASP A 18 -12.908 -3.949 -7.031 1.00 0.00 C ATOM 235 OD1 ASP A 18 -12.702 -4.619 -5.998 1.00 0.00 O ATOM 236 OD2 ASP A 18 -13.600 -2.909 -7.047 1.00 0.00 O ATOM 0 H ASP A 18 -11.093 -2.354 -8.969 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.396 -4.548 -7.316 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -12.679 -3.825 -9.155 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -12.578 -5.454 -8.517 1.00 0.00 H new ATOM 241 N ALA A 19 -9.536 -4.830 -10.350 1.00 0.00 N ATOM 242 CA ALA A 19 -8.922 -5.690 -11.353 1.00 0.00 C ATOM 243 C ALA A 19 -7.422 -5.831 -11.112 1.00 0.00 C ATOM 244 O ALA A 19 -6.860 -6.917 -11.259 1.00 0.00 O ATOM 245 CB ALA A 19 -9.184 -5.144 -12.749 1.00 0.00 C ATOM 0 H ALA A 19 -9.440 -3.832 -10.535 1.00 0.00 H new ATOM 0 HA ALA A 19 -9.372 -6.679 -11.271 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -8.719 -5.797 -13.488 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -10.258 -5.101 -12.927 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.762 -4.143 -12.833 1.00 0.00 H new ATOM 251 N ILE A 20 -6.781 -4.728 -10.742 1.00 0.00 N ATOM 252 CA ILE A 20 -5.347 -4.730 -10.480 1.00 0.00 C ATOM 253 C ILE A 20 -5.060 -4.894 -8.991 1.00 0.00 C ATOM 254 O ILE A 20 -4.565 -5.933 -8.554 1.00 0.00 O ATOM 255 CB ILE A 20 -4.682 -3.434 -10.980 1.00 0.00 C ATOM 256 CG1 ILE A 20 -4.966 -3.231 -12.470 1.00 0.00 C ATOM 257 CG2 ILE A 20 -3.183 -3.474 -10.722 1.00 0.00 C ATOM 258 CD1 ILE A 20 -4.521 -1.883 -12.991 1.00 0.00 C ATOM 0 H ILE A 20 -7.232 -3.822 -10.617 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.928 -5.577 -11.023 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.103 -2.592 -10.431 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.464 -4.015 -13.037 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -6.036 -3.345 -12.647 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.727 -2.551 -11.081 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.001 -3.577 -9.652 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.746 -4.323 -11.248 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.753 -1.809 -14.053 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.042 -1.094 -12.449 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -3.446 -1.774 -12.846 1.00 0.00 H new ATOM 270 N VAL A 21 -5.377 -3.862 -8.216 1.00 0.00 N ATOM 271 CA VAL A 21 -5.156 -3.892 -6.775 1.00 0.00 C ATOM 272 C VAL A 21 -5.763 -5.144 -6.152 1.00 0.00 C ATOM 273 O VAL A 21 -5.250 -5.669 -5.164 1.00 0.00 O ATOM 274 CB VAL A 21 -5.755 -2.649 -6.090 1.00 0.00 C ATOM 275 CG1 VAL A 21 -5.602 -2.747 -4.579 1.00 0.00 C ATOM 276 CG2 VAL A 21 -5.101 -1.382 -6.619 1.00 0.00 C ATOM 0 H VAL A 21 -5.788 -2.995 -8.562 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.077 -3.899 -6.620 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.819 -2.605 -6.322 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.031 -1.860 -4.112 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.121 -3.635 -4.218 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.544 -2.816 -4.324 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.536 -0.514 -6.124 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.030 -1.415 -6.419 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.267 -1.308 -7.694 1.00 0.00 H new ATOM 286 N MET A 22 -6.858 -5.619 -6.737 1.00 0.00 N ATOM 287 CA MET A 22 -7.534 -6.811 -6.240 1.00 0.00 C ATOM 288 C MET A 22 -7.298 -7.997 -7.171 1.00 0.00 C ATOM 289 O MET A 22 -8.194 -8.812 -7.392 1.00 0.00 O ATOM 290 CB MET A 22 -9.034 -6.551 -6.097 1.00 0.00 C ATOM 291 CG MET A 22 -9.368 -5.449 -5.104 1.00 0.00 C ATOM 292 SD MET A 22 -9.483 -6.053 -3.409 1.00 0.00 S ATOM 293 CE MET A 22 -8.698 -4.713 -2.518 1.00 0.00 C ATOM 0 H MET A 22 -7.296 -5.196 -7.556 1.00 0.00 H new ATOM 0 HA MET A 22 -7.120 -7.052 -5.261 1.00 0.00 H new ATOM 0 HB2 MET A 22 -9.443 -6.286 -7.072 1.00 0.00 H new ATOM 0 HB3 MET A 22 -9.526 -7.472 -5.784 1.00 0.00 H new ATOM 0 HG2 MET A 22 -8.605 -4.673 -5.158 1.00 0.00 H new ATOM 0 HG3 MET A 22 -10.314 -4.986 -5.386 1.00 0.00 H new ATOM 0 HE1 MET A 22 -7.778 -5.072 -2.057 1.00 0.00 H new ATOM 0 HE2 MET A 22 -8.465 -3.903 -3.210 1.00 0.00 H new ATOM 0 HE3 MET A 22 -9.372 -4.346 -1.744 1.00 0.00 H new ATOM 303 N ASP A 23 -6.089 -8.087 -7.713 1.00 0.00 N ATOM 304 CA ASP A 23 -5.736 -9.174 -8.619 1.00 0.00 C ATOM 305 C ASP A 23 -5.192 -10.371 -7.846 1.00 0.00 C ATOM 306 O ASP A 23 -4.084 -10.344 -7.310 1.00 0.00 O ATOM 307 CB ASP A 23 -4.702 -8.698 -9.641 1.00 0.00 C ATOM 308 CG ASP A 23 -4.718 -9.528 -10.910 1.00 0.00 C ATOM 309 OD1 ASP A 23 -5.815 -9.965 -11.319 1.00 0.00 O ATOM 310 OD2 ASP A 23 -3.636 -9.739 -11.495 1.00 0.00 O ATOM 0 H ASP A 23 -5.336 -7.420 -7.541 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.639 -9.484 -9.144 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.895 -7.655 -9.890 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.708 -8.740 -9.195 1.00 0.00 H new ATOM 315 N PRO A 24 -5.989 -11.448 -7.784 1.00 0.00 N ATOM 316 CA PRO A 24 -5.609 -12.675 -7.078 1.00 0.00 C ATOM 317 C PRO A 24 -4.485 -13.426 -7.785 1.00 0.00 C ATOM 318 O PRO A 24 -4.069 -14.498 -7.346 1.00 0.00 O ATOM 319 CB PRO A 24 -6.896 -13.504 -7.090 1.00 0.00 C ATOM 320 CG PRO A 24 -7.652 -13.012 -8.275 1.00 0.00 C ATOM 321 CD PRO A 24 -7.323 -11.550 -8.399 1.00 0.00 C ATOM 0 HA PRO A 24 -5.228 -12.469 -6.078 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.680 -14.569 -7.172 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -7.465 -13.364 -6.171 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.363 -13.555 -9.175 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.724 -13.161 -8.143 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.311 -11.227 -9.440 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.053 -10.928 -7.881 1.00 0.00 H new ATOM 329 N LYS A 25 -3.997 -12.856 -8.881 1.00 0.00 N ATOM 330 CA LYS A 25 -2.920 -13.470 -9.649 1.00 0.00 C ATOM 331 C LYS A 25 -1.558 -13.065 -9.094 1.00 0.00 C ATOM 332 O LYS A 25 -0.554 -13.735 -9.336 1.00 0.00 O ATOM 333 CB LYS A 25 -3.023 -13.068 -11.122 1.00 0.00 C ATOM 334 CG LYS A 25 -4.303 -13.535 -11.792 1.00 0.00 C ATOM 335 CD LYS A 25 -4.115 -13.717 -13.289 1.00 0.00 C ATOM 336 CE LYS A 25 -5.115 -14.712 -13.859 1.00 0.00 C ATOM 337 NZ LYS A 25 -4.740 -16.118 -13.544 1.00 0.00 N ATOM 0 H LYS A 25 -4.330 -11.969 -9.258 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.019 -14.552 -9.567 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.958 -11.983 -11.199 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.170 -13.478 -11.662 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.624 -14.477 -11.348 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.096 -12.810 -11.610 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.230 -12.756 -13.791 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.101 -14.063 -13.490 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.106 -14.502 -13.457 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.177 -14.586 -14.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.355 -16.768 -14.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.749 -16.282 -13.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.854 -16.287 -12.524 1.00 0.00 H new ATOM 351 N LYS A 26 -1.531 -11.966 -8.348 1.00 0.00 N ATOM 352 CA LYS A 26 -0.293 -11.472 -7.757 1.00 0.00 C ATOM 353 C LYS A 26 -0.579 -10.396 -6.715 1.00 0.00 C ATOM 354 O LYS A 26 -1.558 -9.658 -6.824 1.00 0.00 O ATOM 355 CB LYS A 26 0.629 -10.914 -8.843 1.00 0.00 C ATOM 356 CG LYS A 26 -0.023 -9.844 -9.702 1.00 0.00 C ATOM 357 CD LYS A 26 1.013 -8.943 -10.353 1.00 0.00 C ATOM 358 CE LYS A 26 1.403 -9.448 -11.734 1.00 0.00 C ATOM 359 NZ LYS A 26 2.376 -10.574 -11.658 1.00 0.00 N ATOM 0 H LYS A 26 -2.353 -11.400 -8.138 1.00 0.00 H new ATOM 0 HA LYS A 26 0.203 -12.308 -7.264 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.520 -10.498 -8.373 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.959 -11.732 -9.484 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.632 -10.316 -10.473 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.695 -9.243 -9.089 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.617 -7.931 -10.433 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.899 -8.890 -9.720 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.510 -9.775 -12.267 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.837 -8.631 -12.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.591 -10.912 -12.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.251 -10.246 -11.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.966 -11.350 -11.101 1.00 0.00 H new ATOM 373 N ASP A 27 0.282 -10.311 -5.706 1.00 0.00 N ATOM 374 CA ASP A 27 0.122 -9.323 -4.646 1.00 0.00 C ATOM 375 C ASP A 27 0.437 -7.921 -5.159 1.00 0.00 C ATOM 376 O ASP A 27 1.540 -7.656 -5.637 1.00 0.00 O ATOM 377 CB ASP A 27 1.030 -9.662 -3.463 1.00 0.00 C ATOM 378 CG ASP A 27 0.949 -11.124 -3.072 1.00 0.00 C ATOM 379 OD1 ASP A 27 0.788 -11.972 -3.974 1.00 0.00 O ATOM 380 OD2 ASP A 27 1.049 -11.421 -1.863 1.00 0.00 O ATOM 0 H ASP A 27 1.097 -10.915 -5.600 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.916 -9.345 -4.315 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.060 -9.413 -3.717 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.754 -9.044 -2.608 1.00 0.00 H new ATOM 385 N VAL A 28 -0.541 -7.026 -5.057 1.00 0.00 N ATOM 386 CA VAL A 28 -0.369 -5.651 -5.510 1.00 0.00 C ATOM 387 C VAL A 28 -0.414 -4.676 -4.338 1.00 0.00 C ATOM 388 O VAL A 28 -1.360 -4.679 -3.550 1.00 0.00 O ATOM 389 CB VAL A 28 -1.452 -5.257 -6.532 1.00 0.00 C ATOM 390 CG1 VAL A 28 -1.319 -3.791 -6.914 1.00 0.00 C ATOM 391 CG2 VAL A 28 -1.371 -6.147 -7.763 1.00 0.00 C ATOM 0 H VAL A 28 -1.460 -7.229 -4.665 1.00 0.00 H new ATOM 0 HA VAL A 28 0.609 -5.596 -5.988 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.430 -5.400 -6.072 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.093 -3.532 -7.637 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.431 -3.172 -6.024 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.338 -3.618 -7.355 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.143 -5.855 -8.475 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.390 -6.038 -8.227 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.521 -7.186 -7.471 1.00 0.00 H new ATOM 401 N LEU A 29 0.615 -3.843 -4.230 1.00 0.00 N ATOM 402 CA LEU A 29 0.694 -2.861 -3.154 1.00 0.00 C ATOM 403 C LEU A 29 0.106 -1.524 -3.593 1.00 0.00 C ATOM 404 O LEU A 29 0.742 -0.766 -4.326 1.00 0.00 O ATOM 405 CB LEU A 29 2.147 -2.673 -2.714 1.00 0.00 C ATOM 406 CG LEU A 29 2.371 -1.755 -1.512 1.00 0.00 C ATOM 407 CD1 LEU A 29 2.038 -2.479 -0.218 1.00 0.00 C ATOM 408 CD2 LEU A 29 3.806 -1.249 -1.488 1.00 0.00 C ATOM 0 H LEU A 29 1.406 -3.828 -4.874 1.00 0.00 H new ATOM 0 HA LEU A 29 0.111 -3.234 -2.312 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.564 -3.652 -2.481 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.713 -2.278 -3.558 1.00 0.00 H new ATOM 0 HG LEU A 29 1.705 -0.897 -1.605 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.204 -1.810 0.626 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.994 -2.791 -0.234 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.677 -3.356 -0.117 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.948 -0.597 -0.626 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.489 -2.096 -1.419 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.011 -0.691 -2.402 1.00 0.00 H new ATOM 420 N ILE A 30 -1.109 -1.240 -3.138 1.00 0.00 N ATOM 421 CA ILE A 30 -1.781 0.007 -3.481 1.00 0.00 C ATOM 422 C ILE A 30 -1.486 1.092 -2.450 1.00 0.00 C ATOM 423 O ILE A 30 -1.705 0.901 -1.255 1.00 0.00 O ATOM 424 CB ILE A 30 -3.305 -0.185 -3.586 1.00 0.00 C ATOM 425 CG1 ILE A 30 -3.965 1.086 -4.127 1.00 0.00 C ATOM 426 CG2 ILE A 30 -3.888 -0.555 -2.230 1.00 0.00 C ATOM 427 CD1 ILE A 30 -3.485 1.475 -5.507 1.00 0.00 C ATOM 0 H ILE A 30 -1.649 -1.857 -2.531 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.395 0.317 -4.452 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.506 -1.001 -4.280 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.045 0.942 -4.154 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.770 1.908 -3.438 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.966 -0.687 -2.321 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.437 -1.484 -1.881 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.679 0.241 -1.515 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.995 2.384 -5.827 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.410 1.652 -5.482 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.704 0.670 -6.209 1.00 0.00 H new ATOM 439 N GLU A 31 -0.990 2.231 -2.923 1.00 0.00 N ATOM 440 CA GLU A 31 -0.667 3.347 -2.042 1.00 0.00 C ATOM 441 C GLU A 31 -1.519 4.569 -2.376 1.00 0.00 C ATOM 442 O GLU A 31 -1.318 5.216 -3.404 1.00 0.00 O ATOM 443 CB GLU A 31 0.817 3.700 -2.153 1.00 0.00 C ATOM 444 CG GLU A 31 1.194 4.983 -1.432 1.00 0.00 C ATOM 445 CD GLU A 31 2.680 5.277 -1.501 1.00 0.00 C ATOM 446 OE1 GLU A 31 3.455 4.576 -0.817 1.00 0.00 O ATOM 447 OE2 GLU A 31 3.067 6.208 -2.237 1.00 0.00 O ATOM 0 H GLU A 31 -0.803 2.405 -3.911 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.885 3.043 -1.018 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.408 2.879 -1.748 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.081 3.794 -3.206 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.642 5.816 -1.868 1.00 0.00 H new ATOM 0 HG3 GLU A 31 0.890 4.911 -0.388 1.00 0.00 H new ATOM 454 N PHE A 32 -2.470 4.877 -1.501 1.00 0.00 N ATOM 455 CA PHE A 32 -3.353 6.019 -1.702 1.00 0.00 C ATOM 456 C PHE A 32 -2.630 7.327 -1.395 1.00 0.00 C ATOM 457 O PHE A 32 -2.360 7.643 -0.236 1.00 0.00 O ATOM 458 CB PHE A 32 -4.596 5.892 -0.819 1.00 0.00 C ATOM 459 CG PHE A 32 -5.341 4.603 -1.016 1.00 0.00 C ATOM 460 CD1 PHE A 32 -5.897 4.289 -2.246 1.00 0.00 C ATOM 461 CD2 PHE A 32 -5.487 3.705 0.029 1.00 0.00 C ATOM 462 CE1 PHE A 32 -6.583 3.103 -2.431 1.00 0.00 C ATOM 463 CE2 PHE A 32 -6.171 2.518 -0.150 1.00 0.00 C ATOM 464 CZ PHE A 32 -6.721 2.217 -1.380 1.00 0.00 C ATOM 0 H PHE A 32 -2.649 4.351 -0.645 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.658 6.030 -2.748 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -4.299 5.975 0.227 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -5.267 6.726 -1.027 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -5.793 4.979 -3.070 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.061 3.936 0.994 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -7.010 2.870 -3.395 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.275 1.826 0.672 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.258 1.291 -1.520 1.00 0.00 H new ATOM 474 N TYR A 33 -2.318 8.083 -2.442 1.00 0.00 N ATOM 475 CA TYR A 33 -1.623 9.355 -2.286 1.00 0.00 C ATOM 476 C TYR A 33 -2.562 10.526 -2.557 1.00 0.00 C ATOM 477 O TYR A 33 -3.512 10.408 -3.330 1.00 0.00 O ATOM 478 CB TYR A 33 -0.421 9.423 -3.230 1.00 0.00 C ATOM 479 CG TYR A 33 -0.801 9.496 -4.691 1.00 0.00 C ATOM 480 CD1 TYR A 33 -1.087 10.715 -5.294 1.00 0.00 C ATOM 481 CD2 TYR A 33 -0.876 8.347 -5.468 1.00 0.00 C ATOM 482 CE1 TYR A 33 -1.436 10.786 -6.629 1.00 0.00 C ATOM 483 CE2 TYR A 33 -1.223 8.409 -6.804 1.00 0.00 C ATOM 484 CZ TYR A 33 -1.502 9.631 -7.380 1.00 0.00 C ATOM 485 OH TYR A 33 -1.849 9.697 -8.710 1.00 0.00 O ATOM 0 H TYR A 33 -2.535 7.837 -3.408 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.273 9.424 -1.256 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.181 10.296 -2.976 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.206 8.546 -3.070 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.036 11.622 -4.710 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.659 7.388 -5.020 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.656 11.741 -7.082 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -1.275 7.506 -7.394 1.00 0.00 H new ATOM 0 HH TYR A 33 -2.598 9.090 -8.883 1.00 0.00 H new ATOM 495 N ALA A 34 -2.289 11.657 -1.914 1.00 0.00 N ATOM 496 CA ALA A 34 -3.107 12.851 -2.087 1.00 0.00 C ATOM 497 C ALA A 34 -2.322 13.959 -2.780 1.00 0.00 C ATOM 498 O ALA A 34 -1.256 14.375 -2.325 1.00 0.00 O ATOM 499 CB ALA A 34 -3.628 13.333 -0.741 1.00 0.00 C ATOM 0 H ALA A 34 -1.507 11.771 -1.269 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.955 12.592 -2.721 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.237 14.225 -0.885 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.233 12.550 -0.284 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.787 13.569 -0.089 1.00 0.00 H new ATOM 505 N PRO A 35 -2.858 14.450 -3.907 1.00 0.00 N ATOM 506 CA PRO A 35 -2.224 15.516 -4.687 1.00 0.00 C ATOM 507 C PRO A 35 -2.261 16.861 -3.968 1.00 0.00 C ATOM 508 O PRO A 35 -1.778 17.866 -4.488 1.00 0.00 O ATOM 509 CB PRO A 35 -3.064 15.570 -5.965 1.00 0.00 C ATOM 510 CG PRO A 35 -4.396 15.035 -5.565 1.00 0.00 C ATOM 511 CD PRO A 35 -4.126 14.001 -4.507 1.00 0.00 C ATOM 0 HA PRO A 35 -1.167 15.317 -4.864 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -3.144 16.589 -6.344 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -2.618 14.970 -6.758 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -5.036 15.829 -5.180 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -4.912 14.595 -6.418 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -4.928 13.962 -3.770 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -4.037 13.002 -4.935 1.00 0.00 H new ATOM 519 N TRP A 36 -2.836 16.870 -2.771 1.00 0.00 N ATOM 520 CA TRP A 36 -2.935 18.092 -1.981 1.00 0.00 C ATOM 521 C TRP A 36 -2.276 17.913 -0.617 1.00 0.00 C ATOM 522 O TRP A 36 -2.489 18.714 0.295 1.00 0.00 O ATOM 523 CB TRP A 36 -4.400 18.492 -1.805 1.00 0.00 C ATOM 524 CG TRP A 36 -5.306 17.328 -1.538 1.00 0.00 C ATOM 525 CD1 TRP A 36 -6.101 16.684 -2.442 1.00 0.00 C ATOM 526 CD2 TRP A 36 -5.511 16.672 -0.282 1.00 0.00 C ATOM 527 NE1 TRP A 36 -6.788 15.667 -1.824 1.00 0.00 N ATOM 528 CE2 TRP A 36 -6.442 15.638 -0.499 1.00 0.00 C ATOM 529 CE3 TRP A 36 -4.996 16.856 1.004 1.00 0.00 C ATOM 530 CZ2 TRP A 36 -6.869 14.794 0.523 1.00 0.00 C ATOM 531 CZ3 TRP A 36 -5.420 16.017 2.018 1.00 0.00 C ATOM 532 CH2 TRP A 36 -6.349 14.997 1.772 1.00 0.00 C ATOM 0 H TRP A 36 -3.240 16.046 -2.326 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.411 18.885 -2.515 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.479 19.201 -0.981 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.739 19.008 -2.703 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -6.179 16.937 -3.489 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.448 15.036 -2.278 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.280 17.640 1.202 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -7.585 14.007 0.336 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -5.029 16.150 3.016 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -6.661 14.358 2.585 1.00 0.00 H new ATOM 543 N CYS A 37 -1.477 16.861 -0.485 1.00 0.00 N ATOM 544 CA CYS A 37 -0.787 16.578 0.769 1.00 0.00 C ATOM 545 C CYS A 37 0.718 16.777 0.619 1.00 0.00 C ATOM 546 O CYS A 37 1.275 16.585 -0.460 1.00 0.00 O ATOM 547 CB CYS A 37 -1.082 15.148 1.226 1.00 0.00 C ATOM 548 SG CYS A 37 -0.307 14.701 2.797 1.00 0.00 S ATOM 0 H CYS A 37 -1.291 16.190 -1.230 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.154 17.275 1.522 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.161 15.022 1.317 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.744 14.455 0.456 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.616 13.475 3.100 1.00 0.00 H new ATOM 554 N GLY A 38 1.370 17.165 1.711 1.00 0.00 N ATOM 555 CA GLY A 38 2.804 17.386 1.680 1.00 0.00 C ATOM 556 C GLY A 38 3.592 16.111 1.902 1.00 0.00 C ATOM 557 O GLY A 38 4.600 15.871 1.236 1.00 0.00 O ATOM 0 H GLY A 38 0.931 17.330 2.617 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.081 17.818 0.718 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.073 18.114 2.446 1.00 0.00 H new ATOM 561 N HIS A 39 3.133 15.289 2.841 1.00 0.00 N ATOM 562 CA HIS A 39 3.803 14.031 3.150 1.00 0.00 C ATOM 563 C HIS A 39 4.025 13.209 1.885 1.00 0.00 C ATOM 564 O HIS A 39 5.094 12.628 1.689 1.00 0.00 O ATOM 565 CB HIS A 39 2.983 13.226 4.158 1.00 0.00 C ATOM 566 CG HIS A 39 2.705 13.965 5.431 1.00 0.00 C ATOM 567 ND1 HIS A 39 1.569 13.763 6.186 1.00 0.00 N ATOM 568 CD2 HIS A 39 3.424 14.910 6.081 1.00 0.00 C ATOM 569 CE1 HIS A 39 1.600 14.552 7.245 1.00 0.00 C ATOM 570 NE2 HIS A 39 2.716 15.258 7.205 1.00 0.00 N ATOM 0 H HIS A 39 2.300 15.472 3.401 1.00 0.00 H new ATOM 0 HA HIS A 39 4.774 14.263 3.586 1.00 0.00 H new ATOM 0 HB2 HIS A 39 2.036 12.941 3.699 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.514 12.303 4.392 1.00 0.00 H new ATOM 0 HD1 HIS A 39 0.821 13.107 5.962 1.00 0.00 H new ATOM 0 HD2 HIS A 39 4.377 15.315 5.773 1.00 0.00 H new ATOM 0 HE1 HIS A 39 0.842 14.610 8.013 1.00 0.00 H new ATOM 579 N CYS A 40 3.010 13.163 1.029 1.00 0.00 N ATOM 580 CA CYS A 40 3.094 12.410 -0.217 1.00 0.00 C ATOM 581 C CYS A 40 4.226 12.934 -1.094 1.00 0.00 C ATOM 582 O CYS A 40 4.875 12.172 -1.811 1.00 0.00 O ATOM 583 CB CYS A 40 1.768 12.488 -0.975 1.00 0.00 C ATOM 584 SG CYS A 40 1.469 14.081 -1.777 1.00 0.00 S ATOM 0 H CYS A 40 2.119 13.638 1.175 1.00 0.00 H new ATOM 0 HA CYS A 40 3.302 11.369 0.030 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.747 11.703 -1.731 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.953 12.284 -0.281 1.00 0.00 H new ATOM 0 HG CYS A 40 0.191 14.246 -1.952 1.00 0.00 H new ATOM 590 N LYS A 41 4.458 14.241 -1.034 1.00 0.00 N ATOM 591 CA LYS A 41 5.511 14.870 -1.822 1.00 0.00 C ATOM 592 C LYS A 41 6.874 14.273 -1.483 1.00 0.00 C ATOM 593 O LYS A 41 7.630 13.888 -2.374 1.00 0.00 O ATOM 594 CB LYS A 41 5.529 16.380 -1.576 1.00 0.00 C ATOM 595 CG LYS A 41 4.231 17.073 -1.954 1.00 0.00 C ATOM 596 CD LYS A 41 4.468 18.518 -2.359 1.00 0.00 C ATOM 597 CE LYS A 41 3.232 19.373 -2.125 1.00 0.00 C ATOM 598 NZ LYS A 41 3.293 20.655 -2.881 1.00 0.00 N ATOM 0 H LYS A 41 3.930 14.886 -0.447 1.00 0.00 H new ATOM 0 HA LYS A 41 5.303 14.683 -2.875 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.737 16.566 -0.522 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.347 16.823 -2.145 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.757 16.537 -2.776 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.540 17.039 -1.111 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.305 18.924 -1.791 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.747 18.561 -3.412 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.344 18.817 -2.424 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.132 19.584 -1.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.433 21.209 -2.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.127 21.198 -2.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.362 20.455 -3.899 1.00 0.00 H new ATOM 612 N GLN A 42 7.178 14.199 -0.192 1.00 0.00 N ATOM 613 CA GLN A 42 8.449 13.648 0.263 1.00 0.00 C ATOM 614 C GLN A 42 8.515 12.146 0.004 1.00 0.00 C ATOM 615 O GLN A 42 9.599 11.567 -0.079 1.00 0.00 O ATOM 616 CB GLN A 42 8.647 13.930 1.753 1.00 0.00 C ATOM 617 CG GLN A 42 8.158 12.808 2.655 1.00 0.00 C ATOM 618 CD GLN A 42 8.030 13.237 4.103 1.00 0.00 C ATOM 619 OE1 GLN A 42 8.997 13.688 4.717 1.00 0.00 O ATOM 620 NE2 GLN A 42 6.831 13.099 4.658 1.00 0.00 N ATOM 0 H GLN A 42 6.562 14.514 0.558 1.00 0.00 H new ATOM 0 HA GLN A 42 9.248 14.131 -0.300 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.706 14.103 1.944 1.00 0.00 H new ATOM 0 HB3 GLN A 42 8.122 14.849 2.013 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.191 12.455 2.298 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.848 11.967 2.589 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.057 12.721 4.112 1.00 0.00 H new ATOM 0 HE22 GLN A 42 6.685 13.371 5.630 1.00 0.00 H new ATOM 629 N LEU A 43 7.350 11.521 -0.122 1.00 0.00 N ATOM 630 CA LEU A 43 7.275 10.086 -0.372 1.00 0.00 C ATOM 631 C LEU A 43 7.265 9.793 -1.869 1.00 0.00 C ATOM 632 O LEU A 43 7.659 8.710 -2.301 1.00 0.00 O ATOM 633 CB LEU A 43 6.023 9.499 0.283 1.00 0.00 C ATOM 634 CG LEU A 43 5.760 8.016 0.019 1.00 0.00 C ATOM 635 CD1 LEU A 43 6.698 7.152 0.848 1.00 0.00 C ATOM 636 CD2 LEU A 43 4.309 7.670 0.319 1.00 0.00 C ATOM 0 H LEU A 43 6.444 11.985 -0.055 1.00 0.00 H new ATOM 0 HA LEU A 43 8.158 9.620 0.064 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.097 9.648 1.360 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.158 10.067 -0.059 1.00 0.00 H new ATOM 0 HG LEU A 43 5.950 7.815 -1.035 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.496 6.100 0.647 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.731 7.380 0.585 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.540 7.356 1.907 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.140 6.611 0.125 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.092 7.887 1.365 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.654 8.264 -0.318 1.00 0.00 H new ATOM 648 N GLU A 44 6.813 10.766 -2.654 1.00 0.00 N ATOM 649 CA GLU A 44 6.753 10.612 -4.103 1.00 0.00 C ATOM 650 C GLU A 44 7.977 9.860 -4.621 1.00 0.00 C ATOM 651 O GLU A 44 7.868 8.823 -5.274 1.00 0.00 O ATOM 652 CB GLU A 44 6.657 11.980 -4.780 1.00 0.00 C ATOM 653 CG GLU A 44 5.230 12.435 -5.033 1.00 0.00 C ATOM 654 CD GLU A 44 4.411 11.398 -5.778 1.00 0.00 C ATOM 655 OE1 GLU A 44 4.965 10.743 -6.685 1.00 0.00 O ATOM 656 OE2 GLU A 44 3.215 11.242 -5.452 1.00 0.00 O ATOM 0 H GLU A 44 6.483 11.668 -2.311 1.00 0.00 H new ATOM 0 HA GLU A 44 5.862 10.032 -4.345 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.160 12.720 -4.158 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.192 11.945 -5.729 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.749 12.657 -4.080 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.244 13.362 -5.606 1.00 0.00 H new ATOM 663 N PRO A 45 9.170 10.396 -4.323 1.00 0.00 N ATOM 664 CA PRO A 45 10.436 9.794 -4.748 1.00 0.00 C ATOM 665 C PRO A 45 10.731 8.488 -4.018 1.00 0.00 C ATOM 666 O PRO A 45 11.234 7.534 -4.613 1.00 0.00 O ATOM 667 CB PRO A 45 11.475 10.857 -4.383 1.00 0.00 C ATOM 668 CG PRO A 45 10.852 11.630 -3.272 1.00 0.00 C ATOM 669 CD PRO A 45 9.374 11.631 -3.547 1.00 0.00 C ATOM 0 HA PRO A 45 10.428 9.532 -5.806 1.00 0.00 H new ATOM 0 HB2 PRO A 45 12.414 10.401 -4.070 1.00 0.00 H new ATOM 0 HB3 PRO A 45 11.700 11.499 -5.234 1.00 0.00 H new ATOM 0 HG2 PRO A 45 11.069 11.171 -2.307 1.00 0.00 H new ATOM 0 HG3 PRO A 45 11.243 12.647 -3.237 1.00 0.00 H new ATOM 0 HD2 PRO A 45 8.794 11.626 -2.624 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.071 12.514 -4.110 1.00 0.00 H new ATOM 677 N ILE A 46 10.416 8.452 -2.728 1.00 0.00 N ATOM 678 CA ILE A 46 10.646 7.262 -1.919 1.00 0.00 C ATOM 679 C ILE A 46 9.916 6.055 -2.497 1.00 0.00 C ATOM 680 O ILE A 46 10.452 4.947 -2.525 1.00 0.00 O ATOM 681 CB ILE A 46 10.190 7.475 -0.463 1.00 0.00 C ATOM 682 CG1 ILE A 46 11.061 8.533 0.217 1.00 0.00 C ATOM 683 CG2 ILE A 46 10.244 6.163 0.306 1.00 0.00 C ATOM 684 CD1 ILE A 46 10.418 9.148 1.441 1.00 0.00 C ATOM 0 H ILE A 46 10.001 9.233 -2.221 1.00 0.00 H new ATOM 0 HA ILE A 46 11.720 7.074 -1.931 1.00 0.00 H new ATOM 0 HB ILE A 46 9.159 7.829 -0.468 1.00 0.00 H new ATOM 0 HG12 ILE A 46 12.011 8.081 0.503 1.00 0.00 H new ATOM 0 HG13 ILE A 46 11.287 9.322 -0.500 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.919 6.330 1.333 1.00 0.00 H new ATOM 0 HG22 ILE A 46 9.586 5.435 -0.169 1.00 0.00 H new ATOM 0 HG23 ILE A 46 11.266 5.783 0.306 1.00 0.00 H new ATOM 0 HD11 ILE A 46 11.091 9.889 1.872 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.482 9.629 1.157 1.00 0.00 H new ATOM 0 HD13 ILE A 46 10.217 8.369 2.177 1.00 0.00 H new ATOM 696 N TYR A 47 8.690 6.277 -2.959 1.00 0.00 N ATOM 697 CA TYR A 47 7.886 5.206 -3.536 1.00 0.00 C ATOM 698 C TYR A 47 8.403 4.822 -4.919 1.00 0.00 C ATOM 699 O TYR A 47 8.489 3.641 -5.258 1.00 0.00 O ATOM 700 CB TYR A 47 6.420 5.635 -3.629 1.00 0.00 C ATOM 701 CG TYR A 47 5.446 4.482 -3.538 1.00 0.00 C ATOM 702 CD1 TYR A 47 5.488 3.593 -2.471 1.00 0.00 C ATOM 703 CD2 TYR A 47 4.482 4.283 -4.519 1.00 0.00 C ATOM 704 CE1 TYR A 47 4.600 2.539 -2.384 1.00 0.00 C ATOM 705 CE2 TYR A 47 3.589 3.231 -4.440 1.00 0.00 C ATOM 706 CZ TYR A 47 3.653 2.362 -3.371 1.00 0.00 C ATOM 707 OH TYR A 47 2.766 1.313 -3.288 1.00 0.00 O ATOM 0 H TYR A 47 8.232 7.188 -2.945 1.00 0.00 H new ATOM 0 HA TYR A 47 7.963 4.336 -2.884 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.206 6.345 -2.830 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.262 6.160 -4.571 1.00 0.00 H new ATOM 0 HD1 TYR A 47 6.228 3.729 -1.696 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.430 4.962 -5.357 1.00 0.00 H new ATOM 0 HE1 TYR A 47 4.647 1.857 -1.548 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.846 3.090 -5.211 1.00 0.00 H new ATOM 0 HH TYR A 47 2.115 1.377 -4.018 1.00 0.00 H new ATOM 717 N THR A 48 8.747 5.829 -5.717 1.00 0.00 N ATOM 718 CA THR A 48 9.255 5.598 -7.063 1.00 0.00 C ATOM 719 C THR A 48 10.286 4.475 -7.077 1.00 0.00 C ATOM 720 O THR A 48 10.110 3.466 -7.759 1.00 0.00 O ATOM 721 CB THR A 48 9.893 6.872 -7.648 1.00 0.00 C ATOM 722 OG1 THR A 48 8.916 7.916 -7.729 1.00 0.00 O ATOM 723 CG2 THR A 48 10.469 6.603 -9.030 1.00 0.00 C ATOM 0 H THR A 48 8.683 6.812 -5.454 1.00 0.00 H new ATOM 0 HA THR A 48 8.402 5.312 -7.678 1.00 0.00 H new ATOM 0 HB THR A 48 10.703 7.182 -6.988 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.664 8.199 -6.825 1.00 0.00 H new ATOM 0 HG21 THR A 48 10.914 7.517 -9.423 1.00 0.00 H new ATOM 0 HG22 THR A 48 11.232 5.828 -8.961 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.674 6.271 -9.697 1.00 0.00 H new ATOM 731 N SER A 49 11.363 4.657 -6.318 1.00 0.00 N ATOM 732 CA SER A 49 12.424 3.660 -6.246 1.00 0.00 C ATOM 733 C SER A 49 11.897 2.346 -5.677 1.00 0.00 C ATOM 734 O SER A 49 12.319 1.264 -6.088 1.00 0.00 O ATOM 735 CB SER A 49 13.579 4.175 -5.385 1.00 0.00 C ATOM 736 OG SER A 49 14.293 5.202 -6.051 1.00 0.00 O ATOM 0 H SER A 49 11.523 5.485 -5.745 1.00 0.00 H new ATOM 0 HA SER A 49 12.787 3.478 -7.257 1.00 0.00 H new ATOM 0 HB2 SER A 49 13.191 4.552 -4.439 1.00 0.00 H new ATOM 0 HB3 SER A 49 14.254 3.353 -5.148 1.00 0.00 H new ATOM 0 HG SER A 49 15.025 5.515 -5.479 1.00 0.00 H new ATOM 742 N LEU A 50 10.973 2.448 -4.728 1.00 0.00 N ATOM 743 CA LEU A 50 10.387 1.269 -4.101 1.00 0.00 C ATOM 744 C LEU A 50 9.714 0.377 -5.139 1.00 0.00 C ATOM 745 O LEU A 50 9.592 -0.832 -4.949 1.00 0.00 O ATOM 746 CB LEU A 50 9.372 1.685 -3.035 1.00 0.00 C ATOM 747 CG LEU A 50 8.814 0.559 -2.163 1.00 0.00 C ATOM 748 CD1 LEU A 50 9.852 0.105 -1.149 1.00 0.00 C ATOM 749 CD2 LEU A 50 7.541 1.010 -1.461 1.00 0.00 C ATOM 0 H LEU A 50 10.614 3.335 -4.376 1.00 0.00 H new ATOM 0 HA LEU A 50 11.190 0.703 -3.629 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.841 2.423 -2.384 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.538 2.181 -3.531 1.00 0.00 H new ATOM 0 HG LEU A 50 8.571 -0.287 -2.806 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.437 -0.696 -0.538 1.00 0.00 H new ATOM 0 HD12 LEU A 50 10.737 -0.258 -1.672 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.127 0.944 -0.510 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.158 0.197 -0.845 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.759 1.871 -0.830 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.793 1.285 -2.205 1.00 0.00 H new ATOM 761 N GLY A 51 9.279 0.984 -6.240 1.00 0.00 N ATOM 762 CA GLY A 51 8.626 0.230 -7.294 1.00 0.00 C ATOM 763 C GLY A 51 9.593 -0.220 -8.371 1.00 0.00 C ATOM 764 O GLY A 51 9.754 -1.416 -8.612 1.00 0.00 O ATOM 0 H GLY A 51 9.367 1.984 -6.420 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.137 -0.643 -6.862 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.845 0.843 -7.744 1.00 0.00 H new ATOM 768 N LYS A 52 10.239 0.742 -9.022 1.00 0.00 N ATOM 769 CA LYS A 52 11.196 0.440 -10.080 1.00 0.00 C ATOM 770 C LYS A 52 12.200 -0.613 -9.622 1.00 0.00 C ATOM 771 O LYS A 52 12.782 -1.328 -10.438 1.00 0.00 O ATOM 772 CB LYS A 52 11.933 1.712 -10.507 1.00 0.00 C ATOM 773 CG LYS A 52 13.188 1.988 -9.698 1.00 0.00 C ATOM 774 CD LYS A 52 13.702 3.399 -9.930 1.00 0.00 C ATOM 775 CE LYS A 52 14.505 3.494 -11.218 1.00 0.00 C ATOM 776 NZ LYS A 52 15.925 3.092 -11.018 1.00 0.00 N ATOM 0 H LYS A 52 10.117 1.737 -8.835 1.00 0.00 H new ATOM 0 HA LYS A 52 10.644 0.043 -10.932 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.201 1.631 -11.561 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.257 2.562 -10.415 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.977 1.846 -8.638 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.961 1.269 -9.968 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.861 4.091 -9.972 1.00 0.00 H new ATOM 0 HD3 LYS A 52 14.324 3.704 -9.089 1.00 0.00 H new ATOM 0 HE2 LYS A 52 14.051 2.857 -11.977 1.00 0.00 H new ATOM 0 HE3 LYS A 52 14.467 4.516 -11.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 16.438 3.171 -11.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 16.366 3.716 -10.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 15.963 2.108 -10.682 1.00 0.00 H new ATOM 790 N LYS A 53 12.398 -0.704 -8.311 1.00 0.00 N ATOM 791 CA LYS A 53 13.330 -1.671 -7.743 1.00 0.00 C ATOM 792 C LYS A 53 12.641 -3.009 -7.496 1.00 0.00 C ATOM 793 O LYS A 53 13.204 -4.069 -7.773 1.00 0.00 O ATOM 794 CB LYS A 53 13.916 -1.138 -6.434 1.00 0.00 C ATOM 795 CG LYS A 53 13.015 -1.355 -5.231 1.00 0.00 C ATOM 796 CD LYS A 53 13.462 -0.522 -4.041 1.00 0.00 C ATOM 797 CE LYS A 53 14.872 -0.888 -3.604 1.00 0.00 C ATOM 798 NZ LYS A 53 14.949 -2.283 -3.091 1.00 0.00 N ATOM 0 H LYS A 53 11.925 -0.119 -7.622 1.00 0.00 H new ATOM 0 HA LYS A 53 14.137 -1.824 -8.459 1.00 0.00 H new ATOM 0 HB2 LYS A 53 14.875 -1.623 -6.251 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.113 -0.071 -6.542 1.00 0.00 H new ATOM 0 HG2 LYS A 53 11.989 -1.096 -5.492 1.00 0.00 H new ATOM 0 HG3 LYS A 53 13.018 -2.410 -4.959 1.00 0.00 H new ATOM 0 HD2 LYS A 53 13.423 0.536 -4.301 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.772 -0.672 -3.211 1.00 0.00 H new ATOM 0 HE2 LYS A 53 15.555 -0.773 -4.446 1.00 0.00 H new ATOM 0 HE3 LYS A 53 15.203 -0.197 -2.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 15.883 -2.445 -2.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 14.210 -2.430 -2.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 14.807 -2.950 -3.876 1.00 0.00 H new ATOM 812 N TYR A 54 11.420 -2.954 -6.975 1.00 0.00 N ATOM 813 CA TYR A 54 10.655 -4.162 -6.690 1.00 0.00 C ATOM 814 C TYR A 54 10.034 -4.727 -7.964 1.00 0.00 C ATOM 815 O TYR A 54 9.375 -5.766 -7.940 1.00 0.00 O ATOM 816 CB TYR A 54 9.561 -3.867 -5.663 1.00 0.00 C ATOM 817 CG TYR A 54 10.004 -4.069 -4.232 1.00 0.00 C ATOM 818 CD1 TYR A 54 10.788 -3.121 -3.586 1.00 0.00 C ATOM 819 CD2 TYR A 54 9.637 -5.207 -3.524 1.00 0.00 C ATOM 820 CE1 TYR A 54 11.196 -3.301 -2.279 1.00 0.00 C ATOM 821 CE2 TYR A 54 10.039 -5.395 -2.216 1.00 0.00 C ATOM 822 CZ TYR A 54 10.819 -4.439 -1.598 1.00 0.00 C ATOM 823 OH TYR A 54 11.222 -4.622 -0.295 1.00 0.00 O ATOM 0 H TYR A 54 10.939 -2.085 -6.741 1.00 0.00 H new ATOM 0 HA TYR A 54 11.338 -4.906 -6.280 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.224 -2.838 -5.789 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.704 -4.509 -5.863 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.084 -2.227 -4.116 1.00 0.00 H new ATOM 0 HD2 TYR A 54 9.027 -5.957 -4.005 1.00 0.00 H new ATOM 0 HE1 TYR A 54 11.807 -2.555 -1.793 1.00 0.00 H new ATOM 0 HE2 TYR A 54 9.745 -6.285 -1.680 1.00 0.00 H new ATOM 0 HH TYR A 54 10.871 -5.473 0.040 1.00 0.00 H new ATOM 833 N LYS A 55 10.249 -4.034 -9.077 1.00 0.00 N ATOM 834 CA LYS A 55 9.714 -4.464 -10.363 1.00 0.00 C ATOM 835 C LYS A 55 10.230 -5.852 -10.731 1.00 0.00 C ATOM 836 O LYS A 55 9.582 -6.590 -11.471 1.00 0.00 O ATOM 837 CB LYS A 55 10.090 -3.462 -11.457 1.00 0.00 C ATOM 838 CG LYS A 55 9.110 -2.309 -11.588 1.00 0.00 C ATOM 839 CD LYS A 55 8.001 -2.630 -12.577 1.00 0.00 C ATOM 840 CE LYS A 55 6.922 -1.558 -12.571 1.00 0.00 C ATOM 841 NZ LYS A 55 5.798 -1.897 -13.488 1.00 0.00 N ATOM 0 H LYS A 55 10.791 -3.171 -9.114 1.00 0.00 H new ATOM 0 HA LYS A 55 8.628 -4.510 -10.279 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.082 -3.063 -11.247 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.153 -3.985 -12.411 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.676 -2.086 -10.613 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.641 -1.414 -11.913 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.420 -2.720 -13.579 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.558 -3.595 -12.329 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.539 -1.434 -11.558 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.357 -0.603 -12.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.084 -1.142 -13.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.158 -1.991 -14.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.366 -2.795 -13.191 1.00 0.00 H new ATOM 855 N GLY A 56 11.402 -6.200 -10.207 1.00 0.00 N ATOM 856 CA GLY A 56 11.984 -7.499 -10.490 1.00 0.00 C ATOM 857 C GLY A 56 11.632 -8.534 -9.441 1.00 0.00 C ATOM 858 O GLY A 56 12.457 -9.378 -9.092 1.00 0.00 O ATOM 0 H GLY A 56 11.958 -5.606 -9.592 1.00 0.00 H new ATOM 0 HA2 GLY A 56 11.639 -7.843 -11.465 1.00 0.00 H new ATOM 0 HA3 GLY A 56 13.068 -7.402 -10.551 1.00 0.00 H new ATOM 862 N GLN A 57 10.405 -8.468 -8.935 1.00 0.00 N ATOM 863 CA GLN A 57 9.948 -9.406 -7.916 1.00 0.00 C ATOM 864 C GLN A 57 9.030 -10.463 -8.523 1.00 0.00 C ATOM 865 O GLN A 57 8.766 -10.456 -9.725 1.00 0.00 O ATOM 866 CB GLN A 57 9.217 -8.661 -6.798 1.00 0.00 C ATOM 867 CG GLN A 57 10.131 -8.213 -5.668 1.00 0.00 C ATOM 868 CD GLN A 57 10.757 -9.377 -4.927 1.00 0.00 C ATOM 869 OE1 GLN A 57 11.821 -9.869 -5.305 1.00 0.00 O ATOM 870 NE2 GLN A 57 10.099 -9.826 -3.864 1.00 0.00 N ATOM 0 H GLN A 57 9.710 -7.776 -9.214 1.00 0.00 H new ATOM 0 HA GLN A 57 10.822 -9.905 -7.499 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.719 -7.788 -7.219 1.00 0.00 H new ATOM 0 HB3 GLN A 57 8.439 -9.306 -6.391 1.00 0.00 H new ATOM 0 HG2 GLN A 57 10.920 -7.579 -6.073 1.00 0.00 H new ATOM 0 HG3 GLN A 57 9.562 -7.604 -4.966 1.00 0.00 H new ATOM 0 HE21 GLN A 57 9.220 -9.389 -3.586 1.00 0.00 H new ATOM 0 HE22 GLN A 57 10.472 -10.608 -3.326 1.00 0.00 H new ATOM 879 N LYS A 58 8.547 -11.372 -7.683 1.00 0.00 N ATOM 880 CA LYS A 58 7.658 -12.436 -8.134 1.00 0.00 C ATOM 881 C LYS A 58 6.202 -12.090 -7.840 1.00 0.00 C ATOM 882 O LYS A 58 5.826 -11.872 -6.688 1.00 0.00 O ATOM 883 CB LYS A 58 8.026 -13.758 -7.457 1.00 0.00 C ATOM 884 CG LYS A 58 9.167 -14.493 -8.138 1.00 0.00 C ATOM 885 CD LYS A 58 8.711 -15.163 -9.423 1.00 0.00 C ATOM 886 CE LYS A 58 7.891 -16.413 -9.139 1.00 0.00 C ATOM 887 NZ LYS A 58 8.753 -17.616 -8.977 1.00 0.00 N ATOM 0 H LYS A 58 8.757 -11.393 -6.685 1.00 0.00 H new ATOM 0 HA LYS A 58 7.777 -12.542 -9.212 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.299 -13.562 -6.420 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.148 -14.404 -7.439 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.972 -13.792 -8.358 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.574 -15.243 -7.460 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.117 -14.462 -10.009 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.580 -15.426 -10.026 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.302 -16.263 -8.234 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.186 -16.578 -9.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.157 -18.447 -8.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.296 -17.774 -9.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.408 -17.469 -8.183 1.00 0.00 H new ATOM 901 N ASP A 59 5.387 -12.042 -8.888 1.00 0.00 N ATOM 902 CA ASP A 59 3.971 -11.725 -8.741 1.00 0.00 C ATOM 903 C ASP A 59 3.773 -10.545 -7.795 1.00 0.00 C ATOM 904 O ASP A 59 3.033 -10.639 -6.815 1.00 0.00 O ATOM 905 CB ASP A 59 3.204 -12.944 -8.224 1.00 0.00 C ATOM 906 CG ASP A 59 3.911 -14.248 -8.537 1.00 0.00 C ATOM 907 OD1 ASP A 59 4.922 -14.550 -7.869 1.00 0.00 O ATOM 908 OD2 ASP A 59 3.454 -14.966 -9.451 1.00 0.00 O ATOM 0 H ASP A 59 5.682 -12.218 -9.848 1.00 0.00 H new ATOM 0 HA ASP A 59 3.582 -11.450 -9.722 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.071 -12.856 -7.146 1.00 0.00 H new ATOM 0 HB3 ASP A 59 2.208 -12.958 -8.668 1.00 0.00 H new ATOM 913 N LEU A 60 4.440 -9.436 -8.094 1.00 0.00 N ATOM 914 CA LEU A 60 4.339 -8.237 -7.269 1.00 0.00 C ATOM 915 C LEU A 60 4.431 -6.978 -8.125 1.00 0.00 C ATOM 916 O LEU A 60 5.352 -6.827 -8.929 1.00 0.00 O ATOM 917 CB LEU A 60 5.442 -8.228 -6.209 1.00 0.00 C ATOM 918 CG LEU A 60 5.371 -7.104 -5.176 1.00 0.00 C ATOM 919 CD1 LEU A 60 4.526 -7.526 -3.984 1.00 0.00 C ATOM 920 CD2 LEU A 60 6.769 -6.704 -4.725 1.00 0.00 C ATOM 0 H LEU A 60 5.056 -9.342 -8.901 1.00 0.00 H new ATOM 0 HA LEU A 60 3.368 -8.248 -6.774 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.419 -9.181 -5.681 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.405 -8.168 -6.716 1.00 0.00 H new ATOM 0 HG LEU A 60 4.899 -6.239 -5.642 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.487 -6.713 -3.259 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.516 -7.762 -4.319 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.968 -8.406 -3.518 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.699 -5.903 -3.990 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.267 -7.564 -4.278 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.344 -6.358 -5.584 1.00 0.00 H new ATOM 932 N VAL A 61 3.472 -6.075 -7.946 1.00 0.00 N ATOM 933 CA VAL A 61 3.446 -4.827 -8.700 1.00 0.00 C ATOM 934 C VAL A 61 3.052 -3.655 -7.809 1.00 0.00 C ATOM 935 O VAL A 61 1.883 -3.498 -7.454 1.00 0.00 O ATOM 936 CB VAL A 61 2.467 -4.908 -9.886 1.00 0.00 C ATOM 937 CG1 VAL A 61 2.405 -3.577 -10.619 1.00 0.00 C ATOM 938 CG2 VAL A 61 2.870 -6.029 -10.833 1.00 0.00 C ATOM 0 H VAL A 61 2.703 -6.184 -7.285 1.00 0.00 H new ATOM 0 HA VAL A 61 4.454 -4.667 -9.081 1.00 0.00 H new ATOM 0 HB VAL A 61 1.472 -5.129 -9.499 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.708 -3.653 -11.454 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.067 -2.800 -9.934 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.396 -3.322 -10.995 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.168 -6.072 -11.665 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.873 -5.840 -11.214 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.858 -6.979 -10.298 1.00 0.00 H new ATOM 948 N ILE A 62 4.034 -2.835 -7.450 1.00 0.00 N ATOM 949 CA ILE A 62 3.788 -1.676 -6.601 1.00 0.00 C ATOM 950 C ILE A 62 3.073 -0.572 -7.372 1.00 0.00 C ATOM 951 O ILE A 62 3.692 0.169 -8.135 1.00 0.00 O ATOM 952 CB ILE A 62 5.100 -1.114 -6.022 1.00 0.00 C ATOM 953 CG1 ILE A 62 5.668 -2.068 -4.969 1.00 0.00 C ATOM 954 CG2 ILE A 62 4.868 0.265 -5.425 1.00 0.00 C ATOM 955 CD1 ILE A 62 6.912 -1.545 -4.287 1.00 0.00 C ATOM 0 H ILE A 62 5.007 -2.952 -7.734 1.00 0.00 H new ATOM 0 HA ILE A 62 3.153 -2.014 -5.782 1.00 0.00 H new ATOM 0 HB ILE A 62 5.826 -1.021 -6.830 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.904 -2.260 -4.215 1.00 0.00 H new ATOM 0 HG13 ILE A 62 5.897 -3.023 -5.442 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.805 0.648 -5.020 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.504 0.940 -6.199 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.129 0.196 -4.627 1.00 0.00 H new ATOM 0 HD11 ILE A 62 7.258 -2.273 -3.554 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.692 -1.379 -5.030 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.684 -0.605 -3.785 1.00 0.00 H new ATOM 967 N ALA A 63 1.764 -0.466 -7.165 1.00 0.00 N ATOM 968 CA ALA A 63 0.964 0.550 -7.838 1.00 0.00 C ATOM 969 C ALA A 63 0.444 1.585 -6.845 1.00 0.00 C ATOM 970 O ALA A 63 0.682 1.481 -5.642 1.00 0.00 O ATOM 971 CB ALA A 63 -0.193 -0.097 -8.584 1.00 0.00 C ATOM 0 H ALA A 63 1.235 -1.071 -6.537 1.00 0.00 H new ATOM 0 HA ALA A 63 1.603 1.063 -8.557 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.782 0.674 -9.082 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.197 -0.792 -9.327 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.825 -0.637 -7.878 1.00 0.00 H new ATOM 977 N LYS A 64 -0.268 2.583 -7.357 1.00 0.00 N ATOM 978 CA LYS A 64 -0.823 3.637 -6.516 1.00 0.00 C ATOM 979 C LYS A 64 -2.108 4.195 -7.120 1.00 0.00 C ATOM 980 O LYS A 64 -2.364 4.035 -8.313 1.00 0.00 O ATOM 981 CB LYS A 64 0.197 4.763 -6.333 1.00 0.00 C ATOM 982 CG LYS A 64 0.554 5.476 -7.626 1.00 0.00 C ATOM 983 CD LYS A 64 1.523 6.621 -7.382 1.00 0.00 C ATOM 984 CE LYS A 64 2.291 6.980 -8.645 1.00 0.00 C ATOM 985 NZ LYS A 64 1.417 7.635 -9.658 1.00 0.00 N ATOM 0 H LYS A 64 -0.474 2.684 -8.351 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.057 3.205 -5.543 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.200 5.490 -5.625 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.105 4.351 -5.892 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.997 4.766 -8.324 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.353 5.859 -8.094 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.975 7.494 -7.028 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.224 6.344 -6.595 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.116 7.646 -8.392 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.729 6.078 -9.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.888 7.619 -10.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.514 7.123 -9.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.238 8.620 -9.377 1.00 0.00 H new ATOM 999 N MET A 65 -2.911 4.850 -6.289 1.00 0.00 N ATOM 1000 CA MET A 65 -4.169 5.434 -6.743 1.00 0.00 C ATOM 1001 C MET A 65 -4.533 6.657 -5.908 1.00 0.00 C ATOM 1002 O MET A 65 -4.122 6.777 -4.753 1.00 0.00 O ATOM 1003 CB MET A 65 -5.292 4.398 -6.668 1.00 0.00 C ATOM 1004 CG MET A 65 -6.678 4.990 -6.867 1.00 0.00 C ATOM 1005 SD MET A 65 -7.872 3.779 -7.467 1.00 0.00 S ATOM 1006 CE MET A 65 -9.049 3.766 -6.116 1.00 0.00 C ATOM 0 H MET A 65 -2.714 4.990 -5.298 1.00 0.00 H new ATOM 0 HA MET A 65 -4.043 5.748 -7.779 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.120 3.633 -7.425 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.253 3.902 -5.698 1.00 0.00 H new ATOM 0 HG2 MET A 65 -7.031 5.405 -5.923 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.617 5.816 -7.575 1.00 0.00 H new ATOM 0 HE1 MET A 65 -10.009 3.395 -6.474 1.00 0.00 H new ATOM 0 HE2 MET A 65 -8.683 3.117 -5.320 1.00 0.00 H new ATOM 0 HE3 MET A 65 -9.172 4.778 -5.731 1.00 0.00 H new ATOM 1016 N ASP A 66 -5.305 7.562 -6.498 1.00 0.00 N ATOM 1017 CA ASP A 66 -5.725 8.776 -5.808 1.00 0.00 C ATOM 1018 C ASP A 66 -7.106 8.598 -5.186 1.00 0.00 C ATOM 1019 O ASP A 66 -8.122 8.905 -5.808 1.00 0.00 O ATOM 1020 CB ASP A 66 -5.737 9.960 -6.777 1.00 0.00 C ATOM 1021 CG ASP A 66 -4.509 9.994 -7.665 1.00 0.00 C ATOM 1022 OD1 ASP A 66 -4.108 8.922 -8.164 1.00 0.00 O ATOM 1023 OD2 ASP A 66 -3.949 11.093 -7.862 1.00 0.00 O ATOM 0 H ASP A 66 -5.653 7.478 -7.453 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.010 8.976 -5.010 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.630 9.907 -7.399 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.798 10.889 -6.210 1.00 0.00 H new ATOM 1028 N ALA A 67 -7.135 8.098 -3.955 1.00 0.00 N ATOM 1029 CA ALA A 67 -8.391 7.879 -3.248 1.00 0.00 C ATOM 1030 C ALA A 67 -9.235 9.149 -3.224 1.00 0.00 C ATOM 1031 O ALA A 67 -10.456 9.093 -3.069 1.00 0.00 O ATOM 1032 CB ALA A 67 -8.122 7.394 -1.832 1.00 0.00 C ATOM 0 H ALA A 67 -6.303 7.837 -3.426 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.952 7.112 -3.782 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.069 7.235 -1.316 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.566 6.457 -1.868 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.538 8.142 -1.296 1.00 0.00 H new ATOM 1038 N THR A 68 -8.578 10.294 -3.376 1.00 0.00 N ATOM 1039 CA THR A 68 -9.268 11.578 -3.369 1.00 0.00 C ATOM 1040 C THR A 68 -10.212 11.701 -4.560 1.00 0.00 C ATOM 1041 O THR A 68 -11.258 12.343 -4.470 1.00 0.00 O ATOM 1042 CB THR A 68 -8.270 12.752 -3.397 1.00 0.00 C ATOM 1043 OG1 THR A 68 -7.639 12.829 -4.679 1.00 0.00 O ATOM 1044 CG2 THR A 68 -7.214 12.589 -2.314 1.00 0.00 C ATOM 0 H THR A 68 -7.568 10.359 -3.506 1.00 0.00 H new ATOM 0 HA THR A 68 -9.845 11.622 -2.445 1.00 0.00 H new ATOM 0 HB THR A 68 -8.821 13.674 -3.209 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.008 13.579 -4.688 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.520 13.429 -2.353 1.00 0.00 H new ATOM 0 HG22 THR A 68 -7.696 12.561 -1.337 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.668 11.660 -2.475 1.00 0.00 H new ATOM 1052 N ALA A 69 -9.836 11.081 -5.674 1.00 0.00 N ATOM 1053 CA ALA A 69 -10.652 11.120 -6.881 1.00 0.00 C ATOM 1054 C ALA A 69 -11.436 9.823 -7.055 1.00 0.00 C ATOM 1055 O ALA A 69 -12.626 9.843 -7.367 1.00 0.00 O ATOM 1056 CB ALA A 69 -9.779 11.379 -8.100 1.00 0.00 C ATOM 0 H ALA A 69 -8.972 10.546 -5.765 1.00 0.00 H new ATOM 0 HA ALA A 69 -11.368 11.936 -6.780 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.402 11.406 -8.994 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.268 12.335 -7.985 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.041 10.582 -8.195 1.00 0.00 H new ATOM 1062 N ASN A 70 -10.760 8.697 -6.852 1.00 0.00 N ATOM 1063 CA ASN A 70 -11.394 7.390 -6.989 1.00 0.00 C ATOM 1064 C ASN A 70 -11.942 6.909 -5.648 1.00 0.00 C ATOM 1065 O ASN A 70 -11.217 6.850 -4.655 1.00 0.00 O ATOM 1066 CB ASN A 70 -10.395 6.371 -7.540 1.00 0.00 C ATOM 1067 CG ASN A 70 -10.039 6.636 -8.990 1.00 0.00 C ATOM 1068 OD1 ASN A 70 -10.768 6.244 -9.901 1.00 0.00 O ATOM 1069 ND2 ASN A 70 -8.912 7.304 -9.209 1.00 0.00 N ATOM 0 H ASN A 70 -9.774 8.663 -6.592 1.00 0.00 H new ATOM 0 HA ASN A 70 -12.225 7.488 -7.687 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.488 6.393 -6.936 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.815 5.369 -7.449 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.620 7.512 -10.164 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.339 7.609 -8.422 1.00 0.00 H new ATOM 1076 N ASP A 71 -13.224 6.565 -5.629 1.00 0.00 N ATOM 1077 CA ASP A 71 -13.870 6.087 -4.412 1.00 0.00 C ATOM 1078 C ASP A 71 -13.648 4.588 -4.232 1.00 0.00 C ATOM 1079 O ASP A 71 -14.091 3.783 -5.051 1.00 0.00 O ATOM 1080 CB ASP A 71 -15.368 6.393 -4.450 1.00 0.00 C ATOM 1081 CG ASP A 71 -15.654 7.846 -4.774 1.00 0.00 C ATOM 1082 OD1 ASP A 71 -15.683 8.668 -3.835 1.00 0.00 O ATOM 1083 OD2 ASP A 71 -15.850 8.160 -5.967 1.00 0.00 O ATOM 0 H ASP A 71 -13.837 6.608 -6.443 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.423 6.607 -3.564 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.847 5.757 -5.194 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -15.811 6.145 -3.486 1.00 0.00 H new ATOM 1088 N ILE A 72 -12.960 4.222 -3.156 1.00 0.00 N ATOM 1089 CA ILE A 72 -12.680 2.821 -2.870 1.00 0.00 C ATOM 1090 C ILE A 72 -13.958 2.064 -2.523 1.00 0.00 C ATOM 1091 O ILE A 72 -14.423 2.097 -1.383 1.00 0.00 O ATOM 1092 CB ILE A 72 -11.679 2.673 -1.709 1.00 0.00 C ATOM 1093 CG1 ILE A 72 -10.419 3.496 -1.985 1.00 0.00 C ATOM 1094 CG2 ILE A 72 -11.325 1.208 -1.498 1.00 0.00 C ATOM 1095 CD1 ILE A 72 -9.547 3.694 -0.764 1.00 0.00 C ATOM 0 H ILE A 72 -12.586 4.876 -2.468 1.00 0.00 H new ATOM 0 HA ILE A 72 -12.243 2.396 -3.773 1.00 0.00 H new ATOM 0 HB ILE A 72 -12.144 3.049 -0.798 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.835 3.002 -2.762 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -10.710 4.471 -2.376 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -10.617 1.120 -0.674 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -12.228 0.646 -1.262 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -10.876 0.808 -2.407 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -8.672 4.286 -1.034 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -10.114 4.215 0.007 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -9.226 2.724 -0.385 1.00 0.00 H new ATOM 1107 N THR A 73 -14.522 1.382 -3.515 1.00 0.00 N ATOM 1108 CA THR A 73 -15.746 0.616 -3.316 1.00 0.00 C ATOM 1109 C THR A 73 -15.622 -0.318 -2.117 1.00 0.00 C ATOM 1110 O THR A 73 -16.562 -0.472 -1.339 1.00 0.00 O ATOM 1111 CB THR A 73 -16.099 -0.214 -4.565 1.00 0.00 C ATOM 1112 OG1 THR A 73 -14.960 -0.974 -4.985 1.00 0.00 O ATOM 1113 CG2 THR A 73 -16.561 0.686 -5.700 1.00 0.00 C ATOM 0 H THR A 73 -14.151 1.345 -4.464 1.00 0.00 H new ATOM 0 HA THR A 73 -16.543 1.336 -3.131 1.00 0.00 H new ATOM 0 HB THR A 73 -16.913 -0.892 -4.306 1.00 0.00 H new ATOM 0 HG1 THR A 73 -15.231 -1.616 -5.674 1.00 0.00 H new ATOM 0 HG21 THR A 73 -16.805 0.077 -6.571 1.00 0.00 H new ATOM 0 HG22 THR A 73 -17.445 1.242 -5.387 1.00 0.00 H new ATOM 0 HG23 THR A 73 -15.765 1.385 -5.957 1.00 0.00 H new ATOM 1121 N ASN A 74 -14.455 -0.938 -1.975 1.00 0.00 N ATOM 1122 CA ASN A 74 -14.208 -1.857 -0.870 1.00 0.00 C ATOM 1123 C ASN A 74 -14.586 -1.219 0.464 1.00 0.00 C ATOM 1124 O ASN A 74 -15.025 -0.070 0.511 1.00 0.00 O ATOM 1125 CB ASN A 74 -12.738 -2.279 -0.848 1.00 0.00 C ATOM 1126 CG ASN A 74 -12.397 -3.245 -1.966 1.00 0.00 C ATOM 1127 OD1 ASN A 74 -11.238 -3.049 -2.585 1.00 0.00 O flip ATOM 1128 ND2 ASN A 74 -13.166 -4.157 -2.270 1.00 0.00 N flip ATOM 0 H ASN A 74 -13.666 -0.821 -2.611 1.00 0.00 H new ATOM 0 HA ASN A 74 -14.830 -2.740 -1.019 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -12.107 -1.394 -0.931 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -12.510 -2.743 0.112 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.046 -4.271 -1.768 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -12.923 -4.799 -3.024 1.00 0.00 H new ATOM 1135 N ASP A 75 -14.411 -1.972 1.544 1.00 0.00 N ATOM 1136 CA ASP A 75 -14.731 -1.479 2.879 1.00 0.00 C ATOM 1137 C ASP A 75 -13.547 -1.662 3.824 1.00 0.00 C ATOM 1138 O ASP A 75 -13.373 -0.895 4.770 1.00 0.00 O ATOM 1139 CB ASP A 75 -15.958 -2.205 3.433 1.00 0.00 C ATOM 1140 CG ASP A 75 -17.187 -2.006 2.568 1.00 0.00 C ATOM 1141 OD1 ASP A 75 -17.924 -1.025 2.802 1.00 0.00 O ATOM 1142 OD2 ASP A 75 -17.413 -2.831 1.658 1.00 0.00 O ATOM 0 H ASP A 75 -14.050 -2.926 1.522 1.00 0.00 H new ATOM 0 HA ASP A 75 -14.951 -0.414 2.803 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -15.741 -3.270 3.512 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -16.165 -1.846 4.441 1.00 0.00 H new ATOM 1147 N GLN A 76 -12.738 -2.683 3.560 1.00 0.00 N ATOM 1148 CA GLN A 76 -11.572 -2.966 4.389 1.00 0.00 C ATOM 1149 C GLN A 76 -10.494 -1.905 4.193 1.00 0.00 C ATOM 1150 O GLN A 76 -9.751 -1.583 5.121 1.00 0.00 O ATOM 1151 CB GLN A 76 -11.009 -4.349 4.057 1.00 0.00 C ATOM 1152 CG GLN A 76 -10.705 -4.544 2.580 1.00 0.00 C ATOM 1153 CD GLN A 76 -10.916 -5.975 2.125 1.00 0.00 C ATOM 1154 OE1 GLN A 76 -10.062 -6.558 1.457 1.00 0.00 O ATOM 1155 NE2 GLN A 76 -12.058 -6.549 2.485 1.00 0.00 N ATOM 0 H GLN A 76 -12.868 -3.327 2.780 1.00 0.00 H new ATOM 0 HA GLN A 76 -11.886 -2.950 5.433 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -10.096 -4.508 4.631 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -11.723 -5.109 4.376 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -11.341 -3.882 1.992 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -9.673 -4.253 2.384 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -12.738 -6.028 3.039 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -12.255 -7.510 2.207 1.00 0.00 H new ATOM 1164 N TYR A 77 -10.415 -1.365 2.982 1.00 0.00 N ATOM 1165 CA TYR A 77 -9.426 -0.342 2.665 1.00 0.00 C ATOM 1166 C TYR A 77 -9.939 1.046 3.039 1.00 0.00 C ATOM 1167 O TYR A 77 -10.830 1.589 2.386 1.00 0.00 O ATOM 1168 CB TYR A 77 -9.078 -0.384 1.176 1.00 0.00 C ATOM 1169 CG TYR A 77 -8.329 -1.632 0.765 1.00 0.00 C ATOM 1170 CD1 TYR A 77 -8.975 -2.859 0.683 1.00 0.00 C ATOM 1171 CD2 TYR A 77 -6.975 -1.583 0.458 1.00 0.00 C ATOM 1172 CE1 TYR A 77 -8.294 -4.001 0.309 1.00 0.00 C ATOM 1173 CE2 TYR A 77 -6.286 -2.720 0.081 1.00 0.00 C ATOM 1174 CZ TYR A 77 -6.950 -3.927 0.008 1.00 0.00 C ATOM 1175 OH TYR A 77 -6.269 -5.062 -0.366 1.00 0.00 O ATOM 0 H TYR A 77 -11.024 -1.619 2.204 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.528 -0.548 3.248 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.997 -0.314 0.594 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.476 0.490 0.927 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -10.028 -2.921 0.916 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.452 -0.640 0.515 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -8.811 -4.947 0.253 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -5.234 -2.664 -0.155 1.00 0.00 H new ATOM 0 HH TYR A 77 -6.802 -5.853 -0.140 1.00 0.00 H new ATOM 1185 N LYS A 78 -9.369 1.614 4.096 1.00 0.00 N ATOM 1186 CA LYS A 78 -9.764 2.939 4.559 1.00 0.00 C ATOM 1187 C LYS A 78 -8.583 3.905 4.518 1.00 0.00 C ATOM 1188 O LYS A 78 -7.466 3.550 4.894 1.00 0.00 O ATOM 1189 CB LYS A 78 -10.322 2.860 5.981 1.00 0.00 C ATOM 1190 CG LYS A 78 -11.827 2.658 6.034 1.00 0.00 C ATOM 1191 CD LYS A 78 -12.564 3.983 6.134 1.00 0.00 C ATOM 1192 CE LYS A 78 -12.822 4.583 4.761 1.00 0.00 C ATOM 1193 NZ LYS A 78 -13.682 3.702 3.923 1.00 0.00 N ATOM 0 H LYS A 78 -8.631 1.177 4.649 1.00 0.00 H new ATOM 0 HA LYS A 78 -10.540 3.313 3.891 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.835 2.040 6.508 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -10.068 3.777 6.513 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -12.155 2.125 5.142 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -12.081 2.034 6.890 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -13.512 3.835 6.651 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -11.980 4.681 6.733 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -13.300 5.556 4.874 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.872 4.752 4.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -14.177 4.276 3.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -13.091 2.992 3.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -14.380 3.223 4.527 1.00 0.00 H new ATOM 1207 N VAL A 79 -8.839 5.126 4.061 1.00 0.00 N ATOM 1208 CA VAL A 79 -7.798 6.144 3.974 1.00 0.00 C ATOM 1209 C VAL A 79 -8.078 7.299 4.928 1.00 0.00 C ATOM 1210 O VAL A 79 -8.832 8.216 4.603 1.00 0.00 O ATOM 1211 CB VAL A 79 -7.670 6.694 2.541 1.00 0.00 C ATOM 1212 CG1 VAL A 79 -6.619 7.792 2.483 1.00 0.00 C ATOM 1213 CG2 VAL A 79 -7.337 5.574 1.568 1.00 0.00 C ATOM 0 H VAL A 79 -9.758 5.435 3.745 1.00 0.00 H new ATOM 0 HA VAL A 79 -6.861 5.664 4.256 1.00 0.00 H new ATOM 0 HB VAL A 79 -8.628 7.125 2.249 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.542 8.169 1.463 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.905 8.605 3.150 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.655 7.390 2.795 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.250 5.981 0.561 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.393 5.112 1.855 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -8.129 4.825 1.590 1.00 0.00 H new ATOM 1223 N GLU A 80 -7.465 7.249 6.106 1.00 0.00 N ATOM 1224 CA GLU A 80 -7.649 8.292 7.108 1.00 0.00 C ATOM 1225 C GLU A 80 -6.611 9.398 6.939 1.00 0.00 C ATOM 1226 O GLU A 80 -6.920 10.581 7.075 1.00 0.00 O ATOM 1227 CB GLU A 80 -7.555 7.701 8.516 1.00 0.00 C ATOM 1228 CG GLU A 80 -8.742 6.829 8.890 1.00 0.00 C ATOM 1229 CD GLU A 80 -8.646 6.288 10.304 1.00 0.00 C ATOM 1230 OE1 GLU A 80 -8.124 7.008 11.181 1.00 0.00 O ATOM 1231 OE2 GLU A 80 -9.092 5.144 10.532 1.00 0.00 O ATOM 0 H GLU A 80 -6.837 6.497 6.390 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.640 8.723 6.968 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -6.642 7.110 8.593 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.470 8.514 9.237 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.660 7.408 8.788 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.811 5.996 8.190 1.00 0.00 H new ATOM 1238 N GLY A 81 -5.377 9.003 6.641 1.00 0.00 N ATOM 1239 CA GLY A 81 -4.311 9.971 6.458 1.00 0.00 C ATOM 1240 C GLY A 81 -3.290 9.523 5.432 1.00 0.00 C ATOM 1241 O GLY A 81 -2.898 8.356 5.404 1.00 0.00 O ATOM 0 H GLY A 81 -5.096 8.030 6.523 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.739 10.924 6.147 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.812 10.142 7.412 1.00 0.00 H new ATOM 1245 N PHE A 82 -2.858 10.451 4.584 1.00 0.00 N ATOM 1246 CA PHE A 82 -1.878 10.145 3.549 1.00 0.00 C ATOM 1247 C PHE A 82 -0.474 10.543 3.995 1.00 0.00 C ATOM 1248 O PHE A 82 -0.286 11.462 4.793 1.00 0.00 O ATOM 1249 CB PHE A 82 -2.236 10.866 2.248 1.00 0.00 C ATOM 1250 CG PHE A 82 -3.708 10.866 1.948 1.00 0.00 C ATOM 1251 CD1 PHE A 82 -4.566 11.717 2.625 1.00 0.00 C ATOM 1252 CD2 PHE A 82 -4.233 10.013 0.990 1.00 0.00 C ATOM 1253 CE1 PHE A 82 -5.921 11.720 2.351 1.00 0.00 C ATOM 1254 CE2 PHE A 82 -5.587 10.012 0.712 1.00 0.00 C ATOM 1255 CZ PHE A 82 -6.432 10.865 1.394 1.00 0.00 C ATOM 0 H PHE A 82 -3.172 11.422 4.594 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.894 9.069 3.376 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.885 11.896 2.305 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.705 10.393 1.422 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.172 12.386 3.376 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.577 9.342 0.455 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.579 12.390 2.884 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.984 9.344 -0.038 1.00 0.00 H new ATOM 0 HZ PHE A 82 -7.490 10.864 1.180 1.00 0.00 H new ATOM 1265 N PRO A 83 0.536 9.835 3.468 1.00 0.00 N ATOM 1266 CA PRO A 83 0.324 8.739 2.518 1.00 0.00 C ATOM 1267 C PRO A 83 -0.317 7.521 3.173 1.00 0.00 C ATOM 1268 O PRO A 83 -0.382 7.422 4.398 1.00 0.00 O ATOM 1269 CB PRO A 83 1.740 8.406 2.039 1.00 0.00 C ATOM 1270 CG PRO A 83 2.629 8.848 3.150 1.00 0.00 C ATOM 1271 CD PRO A 83 1.964 10.050 3.760 1.00 0.00 C ATOM 0 HA PRO A 83 -0.357 9.021 1.715 1.00 0.00 H new ATOM 0 HB2 PRO A 83 1.851 7.340 1.843 1.00 0.00 H new ATOM 0 HB3 PRO A 83 1.977 8.927 1.111 1.00 0.00 H new ATOM 0 HG2 PRO A 83 2.755 8.055 3.888 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.623 9.098 2.778 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.150 10.111 4.832 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.329 10.978 3.320 1.00 0.00 H new ATOM 1279 N THR A 84 -0.792 6.592 2.347 1.00 0.00 N ATOM 1280 CA THR A 84 -1.429 5.380 2.846 1.00 0.00 C ATOM 1281 C THR A 84 -1.118 4.187 1.950 1.00 0.00 C ATOM 1282 O THR A 84 -1.616 4.095 0.827 1.00 0.00 O ATOM 1283 CB THR A 84 -2.957 5.549 2.945 1.00 0.00 C ATOM 1284 OG1 THR A 84 -3.273 6.812 3.541 1.00 0.00 O ATOM 1285 CG2 THR A 84 -3.573 4.427 3.766 1.00 0.00 C ATOM 0 H THR A 84 -0.747 6.657 1.330 1.00 0.00 H new ATOM 0 HA THR A 84 -1.026 5.198 3.842 1.00 0.00 H new ATOM 0 HB THR A 84 -3.371 5.510 1.937 1.00 0.00 H new ATOM 0 HG1 THR A 84 -2.659 6.985 4.285 1.00 0.00 H new ATOM 0 HG21 THR A 84 -4.652 4.568 3.822 1.00 0.00 H new ATOM 0 HG22 THR A 84 -3.356 3.469 3.294 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.153 4.439 4.772 1.00 0.00 H new ATOM 1293 N ILE A 85 -0.293 3.275 2.453 1.00 0.00 N ATOM 1294 CA ILE A 85 0.083 2.086 1.698 1.00 0.00 C ATOM 1295 C ILE A 85 -0.703 0.866 2.166 1.00 0.00 C ATOM 1296 O ILE A 85 -0.953 0.697 3.360 1.00 0.00 O ATOM 1297 CB ILE A 85 1.589 1.792 1.823 1.00 0.00 C ATOM 1298 CG1 ILE A 85 2.406 2.927 1.201 1.00 0.00 C ATOM 1299 CG2 ILE A 85 1.927 0.465 1.161 1.00 0.00 C ATOM 1300 CD1 ILE A 85 3.843 2.966 1.673 1.00 0.00 C ATOM 0 H ILE A 85 0.128 3.337 3.380 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.153 2.288 0.653 1.00 0.00 H new ATOM 0 HB ILE A 85 1.844 1.723 2.881 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.391 2.822 0.116 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.929 3.878 1.436 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.995 0.272 1.258 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.368 -0.336 1.645 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.660 0.507 0.105 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.362 3.795 1.191 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.867 3.102 2.754 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.337 2.029 1.414 1.00 0.00 H new ATOM 1312 N TYR A 86 -1.088 0.018 1.220 1.00 0.00 N ATOM 1313 CA TYR A 86 -1.846 -1.187 1.535 1.00 0.00 C ATOM 1314 C TYR A 86 -1.386 -2.361 0.676 1.00 0.00 C ATOM 1315 O TYR A 86 -1.427 -2.299 -0.553 1.00 0.00 O ATOM 1316 CB TYR A 86 -3.341 -0.944 1.327 1.00 0.00 C ATOM 1317 CG TYR A 86 -4.049 -0.433 2.562 1.00 0.00 C ATOM 1318 CD1 TYR A 86 -4.221 -1.248 3.675 1.00 0.00 C ATOM 1319 CD2 TYR A 86 -4.547 0.863 2.616 1.00 0.00 C ATOM 1320 CE1 TYR A 86 -4.868 -0.786 4.805 1.00 0.00 C ATOM 1321 CE2 TYR A 86 -5.193 1.333 3.742 1.00 0.00 C ATOM 1322 CZ TYR A 86 -5.352 0.505 4.834 1.00 0.00 C ATOM 1323 OH TYR A 86 -5.996 0.969 5.958 1.00 0.00 O ATOM 0 H TYR A 86 -0.888 0.143 0.228 1.00 0.00 H new ATOM 0 HA TYR A 86 -1.667 -1.434 2.581 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -3.475 -0.226 0.518 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -3.811 -1.874 1.008 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -3.843 -2.259 3.656 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -4.427 1.514 1.763 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -4.994 -1.432 5.661 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -5.572 2.344 3.768 1.00 0.00 H new ATOM 0 HH TYR A 86 -6.505 1.776 5.734 1.00 0.00 H new ATOM 1333 N PHE A 87 -0.947 -3.430 1.332 1.00 0.00 N ATOM 1334 CA PHE A 87 -0.479 -4.619 0.629 1.00 0.00 C ATOM 1335 C PHE A 87 -1.608 -5.631 0.459 1.00 0.00 C ATOM 1336 O PHE A 87 -2.116 -6.180 1.437 1.00 0.00 O ATOM 1337 CB PHE A 87 0.685 -5.260 1.388 1.00 0.00 C ATOM 1338 CG PHE A 87 1.384 -6.340 0.612 1.00 0.00 C ATOM 1339 CD1 PHE A 87 0.739 -7.531 0.321 1.00 0.00 C ATOM 1340 CD2 PHE A 87 2.687 -6.164 0.174 1.00 0.00 C ATOM 1341 CE1 PHE A 87 1.379 -8.526 -0.393 1.00 0.00 C ATOM 1342 CE2 PHE A 87 3.332 -7.155 -0.540 1.00 0.00 C ATOM 1343 CZ PHE A 87 2.678 -8.338 -0.823 1.00 0.00 C ATOM 0 H PHE A 87 -0.905 -3.497 2.349 1.00 0.00 H new ATOM 0 HA PHE A 87 -0.136 -4.314 -0.360 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.407 -4.487 1.650 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.312 -5.678 2.323 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -0.276 -7.684 0.656 1.00 0.00 H new ATOM 0 HD2 PHE A 87 3.204 -5.242 0.393 1.00 0.00 H new ATOM 0 HE1 PHE A 87 0.864 -9.449 -0.614 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.347 -7.005 -0.877 1.00 0.00 H new ATOM 0 HZ PHE A 87 3.181 -9.115 -1.380 1.00 0.00 H new ATOM 1353 N ALA A 88 -1.997 -5.871 -0.789 1.00 0.00 N ATOM 1354 CA ALA A 88 -3.065 -6.817 -1.088 1.00 0.00 C ATOM 1355 C ALA A 88 -2.500 -8.144 -1.584 1.00 0.00 C ATOM 1356 O ALA A 88 -2.177 -8.308 -2.760 1.00 0.00 O ATOM 1357 CB ALA A 88 -4.017 -6.229 -2.118 1.00 0.00 C ATOM 0 H ALA A 88 -1.588 -5.423 -1.609 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.616 -7.008 -0.167 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -4.810 -6.946 -2.332 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.454 -5.311 -1.727 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.470 -6.008 -3.035 1.00 0.00 H new ATOM 1363 N PRO A 89 -2.376 -9.115 -0.667 1.00 0.00 N ATOM 1364 CA PRO A 89 -1.849 -10.445 -0.988 1.00 0.00 C ATOM 1365 C PRO A 89 -2.807 -11.253 -1.857 1.00 0.00 C ATOM 1366 O PRO A 89 -3.963 -11.464 -1.493 1.00 0.00 O ATOM 1367 CB PRO A 89 -1.688 -11.103 0.385 1.00 0.00 C ATOM 1368 CG PRO A 89 -2.672 -10.405 1.258 1.00 0.00 C ATOM 1369 CD PRO A 89 -2.741 -8.990 0.755 1.00 0.00 C ATOM 0 HA PRO A 89 -0.923 -10.390 -1.561 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -1.890 -12.173 0.337 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -0.672 -10.987 0.763 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -3.649 -10.886 1.207 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -2.357 -10.433 2.301 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -3.738 -8.568 0.878 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -2.051 -8.339 1.291 1.00 0.00 H new ATOM 1377 N SER A 90 -2.317 -11.703 -3.008 1.00 0.00 N ATOM 1378 CA SER A 90 -3.131 -12.485 -3.931 1.00 0.00 C ATOM 1379 C SER A 90 -3.750 -13.687 -3.224 1.00 0.00 C ATOM 1380 O SER A 90 -3.076 -14.683 -2.963 1.00 0.00 O ATOM 1381 CB SER A 90 -2.285 -12.956 -5.116 1.00 0.00 C ATOM 1382 OG SER A 90 -1.454 -14.044 -4.750 1.00 0.00 O ATOM 0 H SER A 90 -1.361 -11.539 -3.323 1.00 0.00 H new ATOM 0 HA SER A 90 -3.935 -11.847 -4.298 1.00 0.00 H new ATOM 0 HB2 SER A 90 -2.937 -13.253 -5.937 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.671 -12.132 -5.479 1.00 0.00 H new ATOM 0 HG SER A 90 -1.593 -14.258 -3.804 1.00 0.00 H new ATOM 1388 N GLY A 91 -5.040 -13.586 -2.918 1.00 0.00 N ATOM 1389 CA GLY A 91 -5.729 -14.671 -2.244 1.00 0.00 C ATOM 1390 C GLY A 91 -6.371 -14.231 -0.943 1.00 0.00 C ATOM 1391 O GLY A 91 -7.558 -14.468 -0.717 1.00 0.00 O ATOM 0 H GLY A 91 -5.620 -12.773 -3.125 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.495 -15.077 -2.905 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -5.023 -15.476 -2.043 1.00 0.00 H new ATOM 1395 N ASP A 92 -5.586 -13.589 -0.085 1.00 0.00 N ATOM 1396 CA ASP A 92 -6.084 -13.115 1.201 1.00 0.00 C ATOM 1397 C ASP A 92 -6.255 -11.599 1.192 1.00 0.00 C ATOM 1398 O ASP A 92 -6.037 -10.933 2.204 1.00 0.00 O ATOM 1399 CB ASP A 92 -5.131 -13.527 2.324 1.00 0.00 C ATOM 1400 CG ASP A 92 -5.747 -13.352 3.698 1.00 0.00 C ATOM 1401 OD1 ASP A 92 -6.450 -14.278 4.156 1.00 0.00 O ATOM 1402 OD2 ASP A 92 -5.525 -12.291 4.317 1.00 0.00 O ATOM 0 H ASP A 92 -4.602 -13.385 -0.257 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.058 -13.571 1.376 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.843 -14.569 2.188 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.219 -12.933 2.259 1.00 0.00 H new ATOM 1407 N LYS A 93 -6.646 -11.060 0.042 1.00 0.00 N ATOM 1408 CA LYS A 93 -6.846 -9.623 -0.100 1.00 0.00 C ATOM 1409 C LYS A 93 -7.886 -9.117 0.895 1.00 0.00 C ATOM 1410 O LYS A 93 -7.740 -8.037 1.468 1.00 0.00 O ATOM 1411 CB LYS A 93 -7.285 -9.287 -1.527 1.00 0.00 C ATOM 1412 CG LYS A 93 -6.442 -9.959 -2.597 1.00 0.00 C ATOM 1413 CD LYS A 93 -6.520 -9.213 -3.918 1.00 0.00 C ATOM 1414 CE LYS A 93 -5.388 -9.614 -4.852 1.00 0.00 C ATOM 1415 NZ LYS A 93 -4.058 -9.218 -4.313 1.00 0.00 N ATOM 0 H LYS A 93 -6.831 -11.597 -0.805 1.00 0.00 H new ATOM 0 HA LYS A 93 -5.898 -9.127 0.109 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.326 -9.583 -1.657 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -7.241 -8.207 -1.667 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.404 -10.008 -2.267 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.781 -10.985 -2.737 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -7.478 -9.417 -4.397 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -6.478 -8.139 -3.734 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -5.410 -10.693 -5.008 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -5.538 -9.148 -5.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -3.328 -9.859 -4.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -3.842 -8.243 -4.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -4.073 -9.275 -3.275 1.00 0.00 H new ATOM 1429 N LYS A 94 -8.936 -9.906 1.098 1.00 0.00 N ATOM 1430 CA LYS A 94 -10.000 -9.541 2.026 1.00 0.00 C ATOM 1431 C LYS A 94 -9.430 -8.855 3.264 1.00 0.00 C ATOM 1432 O LYS A 94 -10.104 -8.049 3.904 1.00 0.00 O ATOM 1433 CB LYS A 94 -10.794 -10.782 2.438 1.00 0.00 C ATOM 1434 CG LYS A 94 -11.840 -11.200 1.419 1.00 0.00 C ATOM 1435 CD LYS A 94 -12.962 -10.180 1.321 1.00 0.00 C ATOM 1436 CE LYS A 94 -14.169 -10.747 0.589 1.00 0.00 C ATOM 1437 NZ LYS A 94 -14.983 -11.634 1.466 1.00 0.00 N ATOM 0 H LYS A 94 -9.073 -10.803 0.632 1.00 0.00 H new ATOM 0 HA LYS A 94 -10.666 -8.843 1.519 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -10.102 -11.609 2.597 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -11.285 -10.589 3.392 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -11.370 -11.321 0.443 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -12.252 -12.170 1.696 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -13.257 -9.865 2.322 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -12.603 -9.292 0.800 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -14.790 -9.929 0.224 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -13.834 -11.307 -0.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -15.796 -12.000 0.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -14.398 -12.429 1.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -15.324 -11.093 2.286 1.00 0.00 H new ATOM 1451 N ASN A 95 -8.185 -9.180 3.594 1.00 0.00 N ATOM 1452 CA ASN A 95 -7.524 -8.594 4.755 1.00 0.00 C ATOM 1453 C ASN A 95 -6.328 -7.747 4.331 1.00 0.00 C ATOM 1454 O ASN A 95 -5.222 -8.248 4.128 1.00 0.00 O ATOM 1455 CB ASN A 95 -7.069 -9.693 5.718 1.00 0.00 C ATOM 1456 CG ASN A 95 -8.185 -10.158 6.634 1.00 0.00 C ATOM 1457 OD1 ASN A 95 -8.794 -9.357 7.344 1.00 0.00 O ATOM 1458 ND2 ASN A 95 -8.458 -11.457 6.622 1.00 0.00 N ATOM 0 H ASN A 95 -7.613 -9.846 3.074 1.00 0.00 H new ATOM 0 HA ASN A 95 -8.241 -7.949 5.263 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -6.695 -10.542 5.146 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -6.239 -9.324 6.320 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -9.198 -11.828 7.217 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -7.927 -12.084 6.017 1.00 0.00 H new ATOM 1465 N PRO A 96 -6.553 -6.432 4.195 1.00 0.00 N ATOM 1466 CA PRO A 96 -5.506 -5.487 3.795 1.00 0.00 C ATOM 1467 C PRO A 96 -4.454 -5.294 4.881 1.00 0.00 C ATOM 1468 O PRO A 96 -4.745 -5.428 6.070 1.00 0.00 O ATOM 1469 CB PRO A 96 -6.276 -4.185 3.558 1.00 0.00 C ATOM 1470 CG PRO A 96 -7.494 -4.305 4.407 1.00 0.00 C ATOM 1471 CD PRO A 96 -7.847 -5.766 4.421 1.00 0.00 C ATOM 0 HA PRO A 96 -4.953 -5.836 2.923 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.681 -3.316 3.840 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -6.537 -4.065 2.506 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -7.304 -3.940 5.416 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -8.312 -3.710 4.002 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -8.291 -6.063 5.371 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -8.568 -6.013 3.641 1.00 0.00 H new ATOM 1479 N ILE A 97 -3.232 -4.978 4.465 1.00 0.00 N ATOM 1480 CA ILE A 97 -2.138 -4.765 5.404 1.00 0.00 C ATOM 1481 C ILE A 97 -1.566 -3.357 5.272 1.00 0.00 C ATOM 1482 O ILE A 97 -0.833 -3.059 4.329 1.00 0.00 O ATOM 1483 CB ILE A 97 -1.007 -5.788 5.192 1.00 0.00 C ATOM 1484 CG1 ILE A 97 -1.569 -7.212 5.202 1.00 0.00 C ATOM 1485 CG2 ILE A 97 0.061 -5.627 6.264 1.00 0.00 C ATOM 1486 CD1 ILE A 97 -0.652 -8.228 4.558 1.00 0.00 C ATOM 0 H ILE A 97 -2.975 -4.864 3.484 1.00 0.00 H new ATOM 0 HA ILE A 97 -2.551 -4.894 6.404 1.00 0.00 H new ATOM 0 HB ILE A 97 -0.549 -5.605 4.220 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -1.762 -7.510 6.232 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.528 -7.219 4.683 1.00 0.00 H new ATOM 0 HG21 ILE A 97 0.854 -6.357 6.101 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.478 -4.621 6.214 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -0.383 -5.787 7.247 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -1.114 -9.214 4.601 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -0.479 -7.954 3.517 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.299 -8.249 5.091 1.00 0.00 H new ATOM 1498 N LYS A 98 -1.905 -2.495 6.224 1.00 0.00 N ATOM 1499 CA LYS A 98 -1.424 -1.118 6.216 1.00 0.00 C ATOM 1500 C LYS A 98 -0.025 -1.028 6.818 1.00 0.00 C ATOM 1501 O LYS A 98 0.218 -1.512 7.924 1.00 0.00 O ATOM 1502 CB LYS A 98 -2.385 -0.216 6.994 1.00 0.00 C ATOM 1503 CG LYS A 98 -1.878 1.205 7.169 1.00 0.00 C ATOM 1504 CD LYS A 98 -3.024 2.190 7.324 1.00 0.00 C ATOM 1505 CE LYS A 98 -2.538 3.532 7.852 1.00 0.00 C ATOM 1506 NZ LYS A 98 -3.541 4.610 7.632 1.00 0.00 N ATOM 0 H LYS A 98 -2.511 -2.725 7.011 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.378 -0.781 5.180 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.344 -0.190 6.477 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.565 -0.652 7.977 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.232 1.256 8.045 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.271 1.484 6.308 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.515 2.333 6.361 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.769 1.778 8.004 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.324 3.447 8.917 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -1.603 3.799 7.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -3.057 5.529 7.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.049 4.435 6.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -4.219 4.620 8.421 1.00 0.00 H new ATOM 1520 N PHE A 99 0.890 -0.404 6.085 1.00 0.00 N ATOM 1521 CA PHE A 99 2.265 -0.250 6.547 1.00 0.00 C ATOM 1522 C PHE A 99 2.315 0.548 7.847 1.00 0.00 C ATOM 1523 O PHE A 99 2.191 1.772 7.841 1.00 0.00 O ATOM 1524 CB PHE A 99 3.110 0.444 5.477 1.00 0.00 C ATOM 1525 CG PHE A 99 4.428 0.950 5.989 1.00 0.00 C ATOM 1526 CD1 PHE A 99 5.384 0.069 6.469 1.00 0.00 C ATOM 1527 CD2 PHE A 99 4.712 2.306 5.991 1.00 0.00 C ATOM 1528 CE1 PHE A 99 6.599 0.531 6.941 1.00 0.00 C ATOM 1529 CE2 PHE A 99 5.924 2.774 6.461 1.00 0.00 C ATOM 1530 CZ PHE A 99 6.868 1.886 6.938 1.00 0.00 C ATOM 0 H PHE A 99 0.705 0.004 5.168 1.00 0.00 H new ATOM 0 HA PHE A 99 2.673 -1.243 6.734 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.291 -0.254 4.659 1.00 0.00 H new ATOM 0 HB3 PHE A 99 2.545 1.280 5.064 1.00 0.00 H new ATOM 0 HD1 PHE A 99 5.178 -0.991 6.475 1.00 0.00 H new ATOM 0 HD2 PHE A 99 3.977 3.006 5.621 1.00 0.00 H new ATOM 0 HE1 PHE A 99 7.336 -0.166 7.311 1.00 0.00 H new ATOM 0 HE2 PHE A 99 6.133 3.834 6.455 1.00 0.00 H new ATOM 0 HZ PHE A 99 7.815 2.250 7.308 1.00 0.00 H new ATOM 1540 N GLU A 100 2.498 -0.156 8.960 1.00 0.00 N ATOM 1541 CA GLU A 100 2.563 0.487 10.267 1.00 0.00 C ATOM 1542 C GLU A 100 3.915 0.236 10.930 1.00 0.00 C ATOM 1543 O GLU A 100 4.103 -0.762 11.624 1.00 0.00 O ATOM 1544 CB GLU A 100 1.438 -0.026 11.169 1.00 0.00 C ATOM 1545 CG GLU A 100 0.066 0.505 10.791 1.00 0.00 C ATOM 1546 CD GLU A 100 -0.256 1.824 11.467 1.00 0.00 C ATOM 1547 OE1 GLU A 100 -0.441 1.827 12.702 1.00 0.00 O ATOM 1548 OE2 GLU A 100 -0.323 2.852 10.761 1.00 0.00 O ATOM 0 H GLU A 100 2.604 -1.170 8.983 1.00 0.00 H new ATOM 0 HA GLU A 100 2.442 1.560 10.122 1.00 0.00 H new ATOM 0 HB2 GLU A 100 1.420 -1.115 11.130 1.00 0.00 H new ATOM 0 HB3 GLU A 100 1.655 0.253 12.200 1.00 0.00 H new ATOM 0 HG2 GLU A 100 0.016 0.633 9.710 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -0.691 -0.231 11.060 1.00 0.00 H new ATOM 1583 N ARG A 104 8.301 6.071 7.220 1.00 0.00 N ATOM 1584 CA ARG A 104 7.989 5.748 5.833 1.00 0.00 C ATOM 1585 C ARG A 104 9.152 6.113 4.915 1.00 0.00 C ATOM 1586 O ARG A 104 9.263 7.252 4.461 1.00 0.00 O ATOM 1587 CB ARG A 104 6.723 6.483 5.388 1.00 0.00 C ATOM 1588 CG ARG A 104 5.954 5.763 4.293 1.00 0.00 C ATOM 1589 CD ARG A 104 4.464 6.054 4.374 1.00 0.00 C ATOM 1590 NE ARG A 104 3.808 5.263 5.412 1.00 0.00 N ATOM 1591 CZ ARG A 104 2.501 5.023 5.437 1.00 0.00 C ATOM 1592 NH1 ARG A 104 1.716 5.510 4.486 1.00 0.00 N ATOM 1593 NH2 ARG A 104 1.978 4.294 6.414 1.00 0.00 N ATOM 0 HA ARG A 104 7.819 4.673 5.766 1.00 0.00 H new ATOM 0 HB2 ARG A 104 6.070 6.619 6.250 1.00 0.00 H new ATOM 0 HB3 ARG A 104 6.996 7.478 5.035 1.00 0.00 H new ATOM 0 HG2 ARG A 104 6.333 6.070 3.318 1.00 0.00 H new ATOM 0 HG3 ARG A 104 6.121 4.689 4.376 1.00 0.00 H new ATOM 0 HD2 ARG A 104 4.312 7.114 4.576 1.00 0.00 H new ATOM 0 HD3 ARG A 104 4.000 5.843 3.410 1.00 0.00 H new ATOM 0 HE ARG A 104 4.384 4.874 6.158 1.00 0.00 H new ATOM 0 HH11 ARG A 104 2.115 6.070 3.733 1.00 0.00 H new ATOM 0 HH12 ARG A 104 0.713 5.324 4.508 1.00 0.00 H new ATOM 0 HH21 ARG A 104 2.579 3.917 7.147 1.00 0.00 H new ATOM 0 HH22 ARG A 104 0.975 4.110 6.432 1.00 0.00 H new ATOM 1607 N ASP A 105 10.015 5.140 4.648 1.00 0.00 N ATOM 1608 CA ASP A 105 11.170 5.359 3.784 1.00 0.00 C ATOM 1609 C ASP A 105 11.414 4.149 2.886 1.00 0.00 C ATOM 1610 O ASP A 105 10.746 3.122 3.015 1.00 0.00 O ATOM 1611 CB ASP A 105 12.415 5.645 4.624 1.00 0.00 C ATOM 1612 CG ASP A 105 12.417 4.884 5.934 1.00 0.00 C ATOM 1613 OD1 ASP A 105 11.684 5.292 6.860 1.00 0.00 O ATOM 1614 OD2 ASP A 105 13.152 3.879 6.035 1.00 0.00 O ATOM 0 H ASP A 105 9.938 4.192 5.017 1.00 0.00 H new ATOM 0 HA ASP A 105 10.962 6.222 3.152 1.00 0.00 H new ATOM 0 HB2 ASP A 105 13.304 5.380 4.052 1.00 0.00 H new ATOM 0 HB3 ASP A 105 12.474 6.714 4.828 1.00 0.00 H new ATOM 1619 N LEU A 106 12.373 4.278 1.977 1.00 0.00 N ATOM 1620 CA LEU A 106 12.705 3.196 1.057 1.00 0.00 C ATOM 1621 C LEU A 106 13.390 2.048 1.791 1.00 0.00 C ATOM 1622 O LEU A 106 13.513 0.944 1.260 1.00 0.00 O ATOM 1623 CB LEU A 106 13.610 3.712 -0.064 1.00 0.00 C ATOM 1624 CG LEU A 106 13.902 2.729 -1.198 1.00 0.00 C ATOM 1625 CD1 LEU A 106 12.854 2.851 -2.293 1.00 0.00 C ATOM 1626 CD2 LEU A 106 15.295 2.964 -1.762 1.00 0.00 C ATOM 0 H LEU A 106 12.935 5.121 1.857 1.00 0.00 H new ATOM 0 HA LEU A 106 11.777 2.823 0.624 1.00 0.00 H new ATOM 0 HB2 LEU A 106 13.152 4.604 -0.492 1.00 0.00 H new ATOM 0 HB3 LEU A 106 14.559 4.021 0.375 1.00 0.00 H new ATOM 0 HG LEU A 106 13.861 1.717 -0.795 1.00 0.00 H new ATOM 0 HD11 LEU A 106 13.078 2.144 -3.092 1.00 0.00 H new ATOM 0 HD12 LEU A 106 11.869 2.632 -1.880 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.862 3.865 -2.693 1.00 0.00 H new ATOM 0 HD21 LEU A 106 15.486 2.255 -2.568 1.00 0.00 H new ATOM 0 HD22 LEU A 106 15.364 3.981 -2.149 1.00 0.00 H new ATOM 0 HD23 LEU A 106 16.035 2.825 -0.974 1.00 0.00 H new ATOM 1638 N GLU A 107 13.834 2.315 3.015 1.00 0.00 N ATOM 1639 CA GLU A 107 14.505 1.303 3.822 1.00 0.00 C ATOM 1640 C GLU A 107 13.501 0.535 4.677 1.00 0.00 C ATOM 1641 O GLU A 107 13.617 -0.678 4.851 1.00 0.00 O ATOM 1642 CB GLU A 107 15.563 1.952 4.717 1.00 0.00 C ATOM 1643 CG GLU A 107 16.917 2.105 4.045 1.00 0.00 C ATOM 1644 CD GLU A 107 17.760 3.198 4.674 1.00 0.00 C ATOM 1645 OE1 GLU A 107 17.188 4.233 5.074 1.00 0.00 O ATOM 1646 OE2 GLU A 107 18.992 3.018 4.766 1.00 0.00 O ATOM 0 H GLU A 107 13.741 3.223 3.469 1.00 0.00 H new ATOM 0 HA GLU A 107 14.993 0.600 3.146 1.00 0.00 H new ATOM 0 HB2 GLU A 107 15.209 2.934 5.030 1.00 0.00 H new ATOM 0 HB3 GLU A 107 15.680 1.353 5.620 1.00 0.00 H new ATOM 0 HG2 GLU A 107 17.455 1.159 4.101 1.00 0.00 H new ATOM 0 HG3 GLU A 107 16.771 2.327 2.988 1.00 0.00 H new ATOM 1653 N HIS A 108 12.516 1.252 5.210 1.00 0.00 N ATOM 1654 CA HIS A 108 11.492 0.638 6.047 1.00 0.00 C ATOM 1655 C HIS A 108 10.412 -0.018 5.192 1.00 0.00 C ATOM 1656 O HIS A 108 9.987 -1.142 5.464 1.00 0.00 O ATOM 1657 CB HIS A 108 10.863 1.684 6.969 1.00 0.00 C ATOM 1658 CG HIS A 108 11.568 1.827 8.282 1.00 0.00 C ATOM 1659 ND1 HIS A 108 10.917 2.145 9.456 1.00 0.00 N ATOM 1660 CD2 HIS A 108 12.876 1.690 8.605 1.00 0.00 C ATOM 1661 CE1 HIS A 108 11.794 2.200 10.442 1.00 0.00 C ATOM 1662 NE2 HIS A 108 12.990 1.927 9.952 1.00 0.00 N ATOM 0 H HIS A 108 12.406 2.257 5.077 1.00 0.00 H new ATOM 0 HA HIS A 108 11.968 -0.132 6.654 1.00 0.00 H new ATOM 0 HB2 HIS A 108 10.859 2.648 6.461 1.00 0.00 H new ATOM 0 HB3 HIS A 108 9.822 1.416 7.152 1.00 0.00 H new ATOM 0 HD2 HIS A 108 13.680 1.441 7.928 1.00 0.00 H new ATOM 0 HE1 HIS A 108 11.571 2.429 11.474 1.00 0.00 H new ATOM 0 HE2 HIS A 108 13.857 1.897 10.488 1.00 0.00 H new ATOM 1671 N LEU A 109 9.971 0.690 4.158 1.00 0.00 N ATOM 1672 CA LEU A 109 8.940 0.177 3.263 1.00 0.00 C ATOM 1673 C LEU A 109 9.321 -1.199 2.726 1.00 0.00 C ATOM 1674 O LEU A 109 8.504 -2.119 2.713 1.00 0.00 O ATOM 1675 CB LEU A 109 8.717 1.147 2.101 1.00 0.00 C ATOM 1676 CG LEU A 109 7.952 2.428 2.434 1.00 0.00 C ATOM 1677 CD1 LEU A 109 7.969 3.383 1.250 1.00 0.00 C ATOM 1678 CD2 LEU A 109 6.522 2.105 2.840 1.00 0.00 C ATOM 0 H LEU A 109 10.312 1.621 3.919 1.00 0.00 H new ATOM 0 HA LEU A 109 8.015 0.082 3.831 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.689 1.424 1.693 1.00 0.00 H new ATOM 0 HB3 LEU A 109 8.179 0.621 1.313 1.00 0.00 H new ATOM 0 HG LEU A 109 8.446 2.915 3.275 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.420 4.289 1.505 1.00 0.00 H new ATOM 0 HD12 LEU A 109 8.999 3.640 1.005 1.00 0.00 H new ATOM 0 HD13 LEU A 109 7.500 2.905 0.390 1.00 0.00 H new ATOM 0 HD21 LEU A 109 5.993 3.029 3.073 1.00 0.00 H new ATOM 0 HD22 LEU A 109 6.017 1.595 2.020 1.00 0.00 H new ATOM 0 HD23 LEU A 109 6.530 1.460 3.718 1.00 0.00 H new ATOM 1690 N SER A 110 10.568 -1.332 2.285 1.00 0.00 N ATOM 1691 CA SER A 110 11.057 -2.595 1.746 1.00 0.00 C ATOM 1692 C SER A 110 11.023 -3.690 2.808 1.00 0.00 C ATOM 1693 O SER A 110 10.787 -4.859 2.504 1.00 0.00 O ATOM 1694 CB SER A 110 12.483 -2.430 1.215 1.00 0.00 C ATOM 1695 OG SER A 110 13.361 -1.994 2.238 1.00 0.00 O ATOM 0 H SER A 110 11.258 -0.581 2.291 1.00 0.00 H new ATOM 0 HA SER A 110 10.402 -2.888 0.925 1.00 0.00 H new ATOM 0 HB2 SER A 110 12.835 -3.378 0.809 1.00 0.00 H new ATOM 0 HB3 SER A 110 12.488 -1.711 0.396 1.00 0.00 H new ATOM 0 HG SER A 110 13.569 -1.045 2.108 1.00 0.00 H new ATOM 1701 N LYS A 111 11.259 -3.301 4.057 1.00 0.00 N ATOM 1702 CA LYS A 111 11.254 -4.247 5.167 1.00 0.00 C ATOM 1703 C LYS A 111 9.835 -4.706 5.484 1.00 0.00 C ATOM 1704 O LYS A 111 9.635 -5.683 6.205 1.00 0.00 O ATOM 1705 CB LYS A 111 11.886 -3.611 6.407 1.00 0.00 C ATOM 1706 CG LYS A 111 13.404 -3.673 6.416 1.00 0.00 C ATOM 1707 CD LYS A 111 13.972 -3.231 7.755 1.00 0.00 C ATOM 1708 CE LYS A 111 13.652 -1.772 8.042 1.00 0.00 C ATOM 1709 NZ LYS A 111 14.294 -1.301 9.300 1.00 0.00 N ATOM 0 H LYS A 111 11.456 -2.337 4.326 1.00 0.00 H new ATOM 0 HA LYS A 111 11.841 -5.118 4.874 1.00 0.00 H new ATOM 0 HB2 LYS A 111 11.573 -2.569 6.470 1.00 0.00 H new ATOM 0 HB3 LYS A 111 11.505 -4.113 7.297 1.00 0.00 H new ATOM 0 HG2 LYS A 111 13.729 -4.691 6.200 1.00 0.00 H new ATOM 0 HG3 LYS A 111 13.800 -3.037 5.624 1.00 0.00 H new ATOM 0 HD2 LYS A 111 13.564 -3.857 8.549 1.00 0.00 H new ATOM 0 HD3 LYS A 111 15.052 -3.375 7.759 1.00 0.00 H new ATOM 0 HE2 LYS A 111 13.990 -1.155 7.209 1.00 0.00 H new ATOM 0 HE3 LYS A 111 12.572 -1.645 8.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 13.668 -0.620 9.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 14.464 -2.112 9.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 15.200 -0.841 9.076 1.00 0.00 H new ATOM 1723 N PHE A 112 8.852 -3.994 4.941 1.00 0.00 N ATOM 1724 CA PHE A 112 7.451 -4.329 5.166 1.00 0.00 C ATOM 1725 C PHE A 112 6.906 -5.183 4.025 1.00 0.00 C ATOM 1726 O PHE A 112 6.012 -6.006 4.224 1.00 0.00 O ATOM 1727 CB PHE A 112 6.617 -3.055 5.309 1.00 0.00 C ATOM 1728 CG PHE A 112 5.145 -3.276 5.103 1.00 0.00 C ATOM 1729 CD1 PHE A 112 4.333 -3.649 6.162 1.00 0.00 C ATOM 1730 CD2 PHE A 112 4.575 -3.110 3.852 1.00 0.00 C ATOM 1731 CE1 PHE A 112 2.978 -3.853 5.976 1.00 0.00 C ATOM 1732 CE2 PHE A 112 3.221 -3.312 3.660 1.00 0.00 C ATOM 1733 CZ PHE A 112 2.422 -3.685 4.723 1.00 0.00 C ATOM 0 H PHE A 112 9.000 -3.182 4.342 1.00 0.00 H new ATOM 0 HA PHE A 112 7.384 -4.904 6.090 1.00 0.00 H new ATOM 0 HB2 PHE A 112 6.778 -2.634 6.302 1.00 0.00 H new ATOM 0 HB3 PHE A 112 6.970 -2.317 4.589 1.00 0.00 H new ATOM 0 HD1 PHE A 112 4.763 -3.782 7.144 1.00 0.00 H new ATOM 0 HD2 PHE A 112 5.195 -2.819 3.017 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.355 -4.143 6.809 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.788 -3.178 2.680 1.00 0.00 H new ATOM 0 HZ PHE A 112 1.364 -3.845 4.575 1.00 0.00 H new ATOM 1743 N ILE A 113 7.450 -4.979 2.830 1.00 0.00 N ATOM 1744 CA ILE A 113 7.018 -5.729 1.657 1.00 0.00 C ATOM 1745 C ILE A 113 7.593 -7.142 1.666 1.00 0.00 C ATOM 1746 O ILE A 113 6.865 -8.120 1.499 1.00 0.00 O ATOM 1747 CB ILE A 113 7.438 -5.025 0.353 1.00 0.00 C ATOM 1748 CG1 ILE A 113 6.808 -3.633 0.274 1.00 0.00 C ATOM 1749 CG2 ILE A 113 7.037 -5.862 -0.853 1.00 0.00 C ATOM 1750 CD1 ILE A 113 7.444 -2.740 -0.769 1.00 0.00 C ATOM 0 H ILE A 113 8.190 -4.301 2.649 1.00 0.00 H new ATOM 0 HA ILE A 113 5.930 -5.781 1.698 1.00 0.00 H new ATOM 0 HB ILE A 113 8.522 -4.914 0.350 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.746 -3.736 0.053 1.00 0.00 H new ATOM 0 HG13 ILE A 113 6.886 -3.152 1.249 1.00 0.00 H new ATOM 0 HG21 ILE A 113 7.340 -5.352 -1.767 1.00 0.00 H new ATOM 0 HG22 ILE A 113 7.527 -6.834 -0.800 1.00 0.00 H new ATOM 0 HG23 ILE A 113 5.956 -6.001 -0.856 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.947 -1.770 -0.769 1.00 0.00 H new ATOM 0 HD12 ILE A 113 8.501 -2.607 -0.538 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.343 -3.200 -1.752 1.00 0.00 H new ATOM 1762 N ASP A 114 8.903 -7.240 1.864 1.00 0.00 N ATOM 1763 CA ASP A 114 9.576 -8.534 1.898 1.00 0.00 C ATOM 1764 C ASP A 114 8.902 -9.470 2.897 1.00 0.00 C ATOM 1765 O ASP A 114 8.803 -10.674 2.663 1.00 0.00 O ATOM 1766 CB ASP A 114 11.051 -8.356 2.262 1.00 0.00 C ATOM 1767 CG ASP A 114 11.715 -9.664 2.644 1.00 0.00 C ATOM 1768 OD1 ASP A 114 12.012 -10.466 1.734 1.00 0.00 O ATOM 1769 OD2 ASP A 114 11.936 -9.886 3.853 1.00 0.00 O ATOM 0 H ASP A 114 9.520 -6.440 2.003 1.00 0.00 H new ATOM 0 HA ASP A 114 9.506 -8.979 0.905 1.00 0.00 H new ATOM 0 HB2 ASP A 114 11.580 -7.917 1.417 1.00 0.00 H new ATOM 0 HB3 ASP A 114 11.135 -7.653 3.091 1.00 0.00 H new ATOM 1774 N GLU A 115 8.443 -8.908 4.011 1.00 0.00 N ATOM 1775 CA GLU A 115 7.781 -9.694 5.046 1.00 0.00 C ATOM 1776 C GLU A 115 6.384 -10.114 4.599 1.00 0.00 C ATOM 1777 O GLU A 115 6.062 -11.303 4.564 1.00 0.00 O ATOM 1778 CB GLU A 115 7.694 -8.894 6.347 1.00 0.00 C ATOM 1779 CG GLU A 115 8.904 -9.067 7.250 1.00 0.00 C ATOM 1780 CD GLU A 115 10.072 -8.196 6.833 1.00 0.00 C ATOM 1781 OE1 GLU A 115 10.429 -8.215 5.636 1.00 0.00 O ATOM 1782 OE2 GLU A 115 10.631 -7.495 7.703 1.00 0.00 O ATOM 0 H GLU A 115 8.517 -7.912 4.220 1.00 0.00 H new ATOM 0 HA GLU A 115 8.373 -10.592 5.220 1.00 0.00 H new ATOM 0 HB2 GLU A 115 7.579 -7.837 6.107 1.00 0.00 H new ATOM 0 HB3 GLU A 115 6.799 -9.197 6.891 1.00 0.00 H new ATOM 0 HG2 GLU A 115 8.624 -8.827 8.276 1.00 0.00 H new ATOM 0 HG3 GLU A 115 9.213 -10.112 7.240 1.00 0.00 H new ATOM 1789 N HIS A 116 5.557 -9.131 4.260 1.00 0.00 N ATOM 1790 CA HIS A 116 4.193 -9.398 3.816 1.00 0.00 C ATOM 1791 C HIS A 116 4.170 -9.801 2.345 1.00 0.00 C ATOM 1792 O HIS A 116 3.106 -9.903 1.736 1.00 0.00 O ATOM 1793 CB HIS A 116 3.314 -8.166 4.033 1.00 0.00 C ATOM 1794 CG HIS A 116 2.820 -8.023 5.439 1.00 0.00 C ATOM 1795 ND1 HIS A 116 2.999 -7.033 6.345 1.00 0.00 N flip ATOM 1796 CD2 HIS A 116 2.040 -8.974 6.064 1.00 0.00 C flip ATOM 1797 CE1 HIS A 116 2.332 -7.399 7.487 1.00 0.00 C flip ATOM 1798 NE2 HIS A 116 1.761 -8.574 7.292 1.00 0.00 N flip ATOM 0 H HIS A 116 5.807 -8.142 4.284 1.00 0.00 H new ATOM 0 HA HIS A 116 3.800 -10.225 4.407 1.00 0.00 H new ATOM 0 HB2 HIS A 116 3.880 -7.274 3.763 1.00 0.00 H new ATOM 0 HB3 HIS A 116 2.459 -8.217 3.359 1.00 0.00 H new ATOM 0 HD1 HIS A 116 3.531 -6.174 6.205 1.00 0.00 H new ATOM 0 HD2 HIS A 116 1.709 -9.901 5.619 1.00 0.00 H new ATOM 0 HE1 HIS A 116 2.282 -6.820 8.397 1.00 0.00 H new