USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 722 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 13 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 99 GLN :FLIP amide:sc= -0.642 F(o=-2.7!,f=-0.64) USER MOD Single : A 9 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0461) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 168:sc= -2.27! USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0818 USER MOD Single : A 25 ASN : amide:sc= -6.99! C(o=-7!,f=-9.5!) USER MOD Single : A 27 LYS NZ :NH3+ -145:sc= -0.458 (180deg=-1.85!) USER MOD Single : A 29 CYS SG : rot 111:sc= -0.643 USER MOD Single : A 34 TYR OH : rot 84:sc= 0.566 USER MOD Single : A 35 SER OG : rot 180:sc= -2.68! USER MOD Single : A 36 SER OG : rot 180:sc= -0.0224 USER MOD Single : A 37 GLN : amide:sc= -0.0861 X(o=-0.086,f=0) USER MOD Single : A 42 GLN : amide:sc= -0.139 X(o=-0.14,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 166:sc= -0.0508 (180deg=-0.403) USER MOD Single : A 45 THR OG1 : rot 126:sc= -4.65! USER MOD Single : A 46 GLN :FLIP amide:sc= -0.844 F(o=-2.5!,f=-0.84) USER MOD Single : A 51 SER OG : rot 180:sc= 0.00226 USER MOD Single : A 53 SER OG : rot 169:sc= 0.0863 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.0765 USER MOD Single : A 82 SER OG : rot 180:sc= 0.13 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -103:sc= -0.226 (180deg=-2.22!) USER MOD Single : A 91 SER OG : rot 42:sc= 0.0956 USER MOD Single : A 94 MET CE :methyl 145:sc= -0.203 (180deg=-1.36) USER MOD Single : A 95 LYS NZ :NH3+ -107:sc= 0.0177 (180deg=0) USER MOD Single : A 97 MET CE :methyl 157:sc= -0.109 (180deg=-0.823) USER MOD Single : A 104 CYS SG : rot -37:sc= 0.808 USER MOD Single : A 105 CYS SG : rot -136:sc= -1.62! USER MOD ----------------------------------------------------------------- ATOM 112 N LYS A 9 -4.105 8.345 -8.653 1.00 0.00 N ATOM 113 CA LYS A 9 -2.850 7.617 -8.499 1.00 0.00 C ATOM 114 C LYS A 9 -2.576 7.294 -7.033 1.00 0.00 C ATOM 115 O LYS A 9 -2.066 8.129 -6.278 1.00 0.00 O ATOM 116 CB LYS A 9 -1.691 8.429 -9.081 1.00 0.00 C ATOM 117 CG LYS A 9 -1.044 7.778 -10.291 1.00 0.00 C ATOM 118 CD LYS A 9 0.220 7.023 -9.909 1.00 0.00 C ATOM 119 CE LYS A 9 0.534 5.924 -10.910 1.00 0.00 C ATOM 120 NZ LYS A 9 0.703 6.461 -12.290 1.00 0.00 N ATOM 0 HA LYS A 9 -2.938 6.677 -9.044 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.055 9.418 -9.361 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.936 8.574 -8.309 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.751 7.093 -10.758 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.803 8.541 -11.031 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.058 7.718 -9.855 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.100 6.589 -8.916 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.445 5.407 -10.608 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.269 5.187 -10.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.048 5.706 -12.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.211 6.811 -12.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.391 7.241 -12.277 1.00 0.00 H new ATOM 134 N ALA A 10 -2.923 6.081 -6.629 1.00 0.00 N ATOM 135 CA ALA A 10 -2.717 5.656 -5.255 1.00 0.00 C ATOM 136 C ALA A 10 -1.242 5.390 -4.974 1.00 0.00 C ATOM 137 O ALA A 10 -0.764 4.270 -5.143 1.00 0.00 O ATOM 138 CB ALA A 10 -3.557 4.427 -4.945 1.00 0.00 C ATOM 0 H ALA A 10 -3.347 5.376 -7.232 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.038 6.466 -4.600 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.390 4.123 -3.912 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.612 4.662 -5.088 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.272 3.614 -5.613 1.00 0.00 H new ATOM 144 N ILE A 11 -0.526 6.427 -4.544 1.00 0.00 N ATOM 145 CA ILE A 11 0.897 6.300 -4.243 1.00 0.00 C ATOM 146 C ILE A 11 1.146 6.262 -2.740 1.00 0.00 C ATOM 147 O ILE A 11 0.948 7.258 -2.042 1.00 0.00 O ATOM 148 CB ILE A 11 1.708 7.462 -4.852 1.00 0.00 C ATOM 149 CG1 ILE A 11 1.413 7.593 -6.347 1.00 0.00 C ATOM 150 CG2 ILE A 11 3.197 7.253 -4.617 1.00 0.00 C ATOM 151 CD1 ILE A 11 1.865 8.910 -6.939 1.00 0.00 C ATOM 0 H ILE A 11 -0.907 7.362 -4.397 1.00 0.00 H new ATOM 0 HA ILE A 11 1.226 5.360 -4.687 1.00 0.00 H new ATOM 0 HB ILE A 11 1.409 8.388 -4.360 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.903 6.778 -6.879 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.341 7.480 -6.509 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.754 8.082 -5.053 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.393 7.208 -3.546 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.511 6.319 -5.083 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.624 8.933 -8.002 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.355 9.730 -6.433 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.942 9.017 -6.809 1.00 0.00 H new ATOM 163 N PHE A 12 1.595 5.110 -2.251 1.00 0.00 N ATOM 164 CA PHE A 12 1.887 4.940 -0.832 1.00 0.00 C ATOM 165 C PHE A 12 3.364 4.601 -0.636 1.00 0.00 C ATOM 166 O PHE A 12 3.807 3.504 -0.978 1.00 0.00 O ATOM 167 CB PHE A 12 1.022 3.823 -0.241 1.00 0.00 C ATOM 168 CG PHE A 12 -0.295 4.289 0.319 1.00 0.00 C ATOM 169 CD1 PHE A 12 -1.419 4.369 -0.489 1.00 0.00 C ATOM 170 CD2 PHE A 12 -0.410 4.637 1.656 1.00 0.00 C ATOM 171 CE1 PHE A 12 -2.632 4.787 0.028 1.00 0.00 C ATOM 172 CE2 PHE A 12 -1.619 5.057 2.178 1.00 0.00 C ATOM 173 CZ PHE A 12 -2.733 5.132 1.361 1.00 0.00 C ATOM 0 H PHE A 12 1.765 4.279 -2.818 1.00 0.00 H new ATOM 0 HA PHE A 12 1.661 5.875 -0.319 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.832 3.079 -1.015 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.583 3.324 0.549 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.347 4.102 -1.533 1.00 0.00 H new ATOM 0 HD2 PHE A 12 0.456 4.579 2.298 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.501 4.844 -0.611 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -1.694 5.326 3.221 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.679 5.460 1.765 1.00 0.00 H new ATOM 183 N THR A 13 4.123 5.544 -0.085 1.00 0.00 N ATOM 184 CA THR A 13 5.549 5.334 0.150 1.00 0.00 C ATOM 185 C THR A 13 5.812 4.916 1.592 1.00 0.00 C ATOM 186 O THR A 13 5.431 5.616 2.528 1.00 0.00 O ATOM 187 CB THR A 13 6.369 6.597 -0.163 1.00 0.00 C ATOM 188 OG1 THR A 13 5.864 7.229 -1.344 1.00 0.00 O ATOM 189 CG2 THR A 13 7.839 6.253 -0.352 1.00 0.00 C ATOM 0 H THR A 13 3.776 6.458 0.206 1.00 0.00 H new ATOM 0 HA THR A 13 5.862 4.535 -0.523 1.00 0.00 H new ATOM 0 HB THR A 13 6.278 7.282 0.680 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.391 8.033 -1.535 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.400 7.161 -0.572 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.227 5.800 0.560 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.945 5.551 -1.179 1.00 0.00 H new ATOM 197 N VAL A 14 6.450 3.759 1.762 1.00 0.00 N ATOM 198 CA VAL A 14 6.752 3.232 3.092 1.00 0.00 C ATOM 199 C VAL A 14 8.134 2.586 3.129 1.00 0.00 C ATOM 200 O VAL A 14 8.786 2.457 2.101 1.00 0.00 O ATOM 201 CB VAL A 14 5.710 2.172 3.514 1.00 0.00 C ATOM 202 CG1 VAL A 14 4.343 2.512 2.954 1.00 0.00 C ATOM 203 CG2 VAL A 14 6.131 0.780 3.057 1.00 0.00 C ATOM 0 H VAL A 14 6.768 3.168 0.994 1.00 0.00 H new ATOM 0 HA VAL A 14 6.724 4.076 3.782 1.00 0.00 H new ATOM 0 HB VAL A 14 5.654 2.175 4.603 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.624 1.753 3.263 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.027 3.485 3.330 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.393 2.543 1.866 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.380 0.053 3.367 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.223 0.766 1.971 1.00 0.00 H new ATOM 0 HG23 VAL A 14 7.091 0.524 3.506 1.00 0.00 H new ATOM 213 N ASP A 15 8.553 2.160 4.318 1.00 0.00 N ATOM 214 CA ASP A 15 9.841 1.496 4.487 1.00 0.00 C ATOM 215 C ASP A 15 9.638 -0.017 4.505 1.00 0.00 C ATOM 216 O ASP A 15 8.533 -0.492 4.737 1.00 0.00 O ATOM 217 CB ASP A 15 10.513 1.946 5.784 1.00 0.00 C ATOM 218 CG ASP A 15 10.616 3.455 5.889 1.00 0.00 C ATOM 219 OD1 ASP A 15 10.876 4.105 4.855 1.00 0.00 O ATOM 220 OD2 ASP A 15 10.438 3.986 7.005 1.00 0.00 O ATOM 0 H ASP A 15 8.017 2.264 5.180 1.00 0.00 H new ATOM 0 HA ASP A 15 10.487 1.767 3.652 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.948 1.563 6.634 1.00 0.00 H new ATOM 0 HB3 ASP A 15 11.511 1.512 5.842 1.00 0.00 H new ATOM 225 N ALA A 16 10.695 -0.775 4.246 1.00 0.00 N ATOM 226 CA ALA A 16 10.585 -2.230 4.231 1.00 0.00 C ATOM 227 C ALA A 16 10.778 -2.820 5.620 1.00 0.00 C ATOM 228 O ALA A 16 10.457 -3.985 5.860 1.00 0.00 O ATOM 229 CB ALA A 16 11.583 -2.826 3.253 1.00 0.00 C ATOM 0 H ALA A 16 11.628 -0.414 4.046 1.00 0.00 H new ATOM 0 HA ALA A 16 9.577 -2.485 3.903 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.489 -3.912 3.253 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.383 -2.445 2.252 1.00 0.00 H new ATOM 0 HB3 ALA A 16 12.594 -2.550 3.551 1.00 0.00 H new ATOM 235 N LYS A 17 11.289 -2.011 6.535 1.00 0.00 N ATOM 236 CA LYS A 17 11.509 -2.458 7.902 1.00 0.00 C ATOM 237 C LYS A 17 10.192 -2.514 8.666 1.00 0.00 C ATOM 238 O LYS A 17 9.862 -3.524 9.289 1.00 0.00 O ATOM 239 CB LYS A 17 12.484 -1.520 8.618 1.00 0.00 C ATOM 240 CG LYS A 17 13.918 -2.025 8.629 1.00 0.00 C ATOM 241 CD LYS A 17 14.850 -1.035 9.311 1.00 0.00 C ATOM 242 CE LYS A 17 15.130 0.168 8.425 1.00 0.00 C ATOM 243 NZ LYS A 17 15.488 1.374 9.223 1.00 0.00 N ATOM 0 H LYS A 17 11.559 -1.044 6.357 1.00 0.00 H new ATOM 0 HA LYS A 17 11.938 -3.459 7.868 1.00 0.00 H new ATOM 0 HB2 LYS A 17 12.455 -0.543 8.136 1.00 0.00 H new ATOM 0 HB3 LYS A 17 12.150 -1.378 9.646 1.00 0.00 H new ATOM 0 HG2 LYS A 17 13.964 -2.984 9.145 1.00 0.00 H new ATOM 0 HG3 LYS A 17 14.253 -2.197 7.606 1.00 0.00 H new ATOM 0 HD2 LYS A 17 14.405 -0.702 10.249 1.00 0.00 H new ATOM 0 HD3 LYS A 17 15.788 -1.530 9.561 1.00 0.00 H new ATOM 0 HE2 LYS A 17 15.943 -0.068 7.739 1.00 0.00 H new ATOM 0 HE3 LYS A 17 14.252 0.383 7.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 15.671 2.172 8.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 14.702 1.615 9.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 16.341 1.178 9.785 1.00 0.00 H new ATOM 257 N THR A 18 9.453 -1.408 8.632 1.00 0.00 N ATOM 258 CA THR A 18 8.186 -1.333 9.350 1.00 0.00 C ATOM 259 C THR A 18 6.986 -1.121 8.442 1.00 0.00 C ATOM 260 O THR A 18 5.841 -1.247 8.882 1.00 0.00 O ATOM 261 CB THR A 18 8.204 -0.238 10.437 1.00 0.00 C ATOM 262 OG1 THR A 18 7.229 0.768 10.137 1.00 0.00 O ATOM 263 CG2 THR A 18 9.579 0.407 10.546 1.00 0.00 C ATOM 0 H THR A 18 9.706 -0.562 8.122 1.00 0.00 H new ATOM 0 HA THR A 18 8.075 -2.309 9.822 1.00 0.00 H new ATOM 0 HB THR A 18 7.965 -0.709 11.391 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.109 1.350 10.916 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.561 1.174 11.320 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.317 -0.352 10.805 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.845 0.861 9.591 1.00 0.00 H new ATOM 271 N THR A 19 7.240 -0.786 7.192 1.00 0.00 N ATOM 272 CA THR A 19 6.168 -0.544 6.228 1.00 0.00 C ATOM 273 C THR A 19 5.415 0.740 6.561 1.00 0.00 C ATOM 274 O THR A 19 4.342 1.004 6.019 1.00 0.00 O ATOM 275 CB THR A 19 5.167 -1.713 6.169 1.00 0.00 C ATOM 276 OG1 THR A 19 5.845 -2.953 6.406 1.00 0.00 O ATOM 277 CG2 THR A 19 4.471 -1.760 4.819 1.00 0.00 C ATOM 0 H THR A 19 8.180 -0.673 6.813 1.00 0.00 H new ATOM 0 HA THR A 19 6.645 -0.448 5.253 1.00 0.00 H new ATOM 0 HB THR A 19 4.415 -1.558 6.943 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.201 -3.690 6.368 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.769 -2.593 4.800 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.931 -0.827 4.655 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.213 -1.893 4.032 1.00 0.00 H new ATOM 285 N GLU A 20 5.991 1.539 7.453 1.00 0.00 N ATOM 286 CA GLU A 20 5.383 2.800 7.856 1.00 0.00 C ATOM 287 C GLU A 20 5.328 3.763 6.677 1.00 0.00 C ATOM 288 O GLU A 20 6.361 4.116 6.107 1.00 0.00 O ATOM 289 CB GLU A 20 6.169 3.428 9.007 1.00 0.00 C ATOM 290 CG GLU A 20 5.296 4.138 10.027 1.00 0.00 C ATOM 291 CD GLU A 20 6.090 5.065 10.928 1.00 0.00 C ATOM 292 OE1 GLU A 20 6.611 6.081 10.421 1.00 0.00 O ATOM 293 OE2 GLU A 20 6.187 4.776 12.140 1.00 0.00 O ATOM 0 H GLU A 20 6.879 1.334 7.911 1.00 0.00 H new ATOM 0 HA GLU A 20 4.366 2.599 8.194 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.742 2.650 9.511 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.887 4.139 8.599 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.529 4.712 9.507 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.781 3.397 10.638 1.00 0.00 H new ATOM 300 N ILE A 21 4.122 4.178 6.313 1.00 0.00 N ATOM 301 CA ILE A 21 3.941 5.093 5.194 1.00 0.00 C ATOM 302 C ILE A 21 4.536 6.461 5.489 1.00 0.00 C ATOM 303 O ILE A 21 3.967 7.255 6.237 1.00 0.00 O ATOM 304 CB ILE A 21 2.459 5.262 4.819 1.00 0.00 C ATOM 305 CG1 ILE A 21 1.669 3.990 5.139 1.00 0.00 C ATOM 306 CG2 ILE A 21 2.338 5.608 3.344 1.00 0.00 C ATOM 307 CD1 ILE A 21 0.483 4.226 6.048 1.00 0.00 C ATOM 0 H ILE A 21 3.257 3.897 6.775 1.00 0.00 H new ATOM 0 HA ILE A 21 4.467 4.645 4.351 1.00 0.00 H new ATOM 0 HB ILE A 21 2.039 6.076 5.410 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.319 3.546 4.207 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.336 3.266 5.607 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.286 5.727 3.083 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.869 6.539 3.144 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.772 4.807 2.746 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.029 3.281 6.231 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.827 4.642 6.995 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.205 4.925 5.574 1.00 0.00 H new ATOM 319 N LEU A 22 5.689 6.723 4.890 1.00 0.00 N ATOM 320 CA LEU A 22 6.385 7.988 5.067 1.00 0.00 C ATOM 321 C LEU A 22 5.502 9.162 4.654 1.00 0.00 C ATOM 322 O LEU A 22 5.535 10.223 5.281 1.00 0.00 O ATOM 323 CB LEU A 22 7.682 7.986 4.254 1.00 0.00 C ATOM 324 CG LEU A 22 8.393 6.634 4.190 1.00 0.00 C ATOM 325 CD1 LEU A 22 9.580 6.701 3.245 1.00 0.00 C ATOM 326 CD2 LEU A 22 8.835 6.206 5.581 1.00 0.00 C ATOM 0 H LEU A 22 6.166 6.068 4.271 1.00 0.00 H new ATOM 0 HA LEU A 22 6.625 8.104 6.124 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.459 8.312 3.238 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.364 8.720 4.682 1.00 0.00 H new ATOM 0 HG LEU A 22 7.695 5.890 3.806 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.074 5.730 3.212 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.235 6.967 2.246 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.284 7.454 3.598 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.340 5.242 5.522 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.519 6.949 5.990 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.963 6.120 6.229 1.00 0.00 H new ATOM 338 N VAL A 23 4.709 8.967 3.601 1.00 0.00 N ATOM 339 CA VAL A 23 3.813 10.013 3.113 1.00 0.00 C ATOM 340 C VAL A 23 2.943 9.509 1.960 1.00 0.00 C ATOM 341 O VAL A 23 3.300 8.554 1.270 1.00 0.00 O ATOM 342 CB VAL A 23 4.604 11.269 2.668 1.00 0.00 C ATOM 343 CG1 VAL A 23 4.537 11.474 1.159 1.00 0.00 C ATOM 344 CG2 VAL A 23 4.098 12.502 3.400 1.00 0.00 C ATOM 0 H VAL A 23 4.669 8.096 3.071 1.00 0.00 H new ATOM 0 HA VAL A 23 3.162 10.289 3.943 1.00 0.00 H new ATOM 0 HB VAL A 23 5.650 11.110 2.929 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.104 12.365 0.887 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.961 10.606 0.655 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.498 11.598 0.855 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.664 13.375 3.076 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.042 12.650 3.176 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.225 12.365 4.474 1.00 0.00 H new ATOM 354 N ALA A 24 1.809 10.175 1.747 1.00 0.00 N ATOM 355 CA ALA A 24 0.892 9.815 0.670 1.00 0.00 C ATOM 356 C ALA A 24 0.339 11.070 0.001 1.00 0.00 C ATOM 357 O ALA A 24 0.433 12.166 0.553 1.00 0.00 O ATOM 358 CB ALA A 24 -0.239 8.947 1.197 1.00 0.00 C ATOM 0 H ALA A 24 1.504 10.969 2.309 1.00 0.00 H new ATOM 0 HA ALA A 24 1.443 9.241 -0.075 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.912 8.689 0.379 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.173 8.035 1.629 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.791 9.493 1.962 1.00 0.00 H new ATOM 364 N ASN A 25 -0.204 10.917 -1.204 1.00 0.00 N ATOM 365 CA ASN A 25 -0.726 12.061 -1.946 1.00 0.00 C ATOM 366 C ASN A 25 -2.252 12.171 -1.891 1.00 0.00 C ATOM 367 O ASN A 25 -2.933 11.382 -1.236 1.00 0.00 O ATOM 368 CB ASN A 25 -0.263 11.997 -3.403 1.00 0.00 C ATOM 369 CG ASN A 25 -0.775 10.765 -4.126 1.00 0.00 C ATOM 370 OD1 ASN A 25 -0.823 9.670 -3.561 1.00 0.00 O ATOM 371 ND2 ASN A 25 -1.158 10.937 -5.385 1.00 0.00 N ATOM 0 H ASN A 25 -0.294 10.021 -1.684 1.00 0.00 H new ATOM 0 HA ASN A 25 -0.327 12.953 -1.463 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.604 12.889 -3.928 1.00 0.00 H new ATOM 0 HB3 ASN A 25 0.827 12.005 -3.435 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -1.509 10.145 -5.924 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -1.101 11.861 -5.814 1.00 0.00 H new ATOM 378 N ASP A 26 -2.757 13.186 -2.589 1.00 0.00 N ATOM 379 CA ASP A 26 -4.189 13.481 -2.653 1.00 0.00 C ATOM 380 C ASP A 26 -4.946 12.472 -3.507 1.00 0.00 C ATOM 381 O ASP A 26 -6.177 12.502 -3.562 1.00 0.00 O ATOM 382 CB ASP A 26 -4.414 14.894 -3.192 1.00 0.00 C ATOM 383 CG ASP A 26 -5.838 15.371 -2.988 1.00 0.00 C ATOM 384 OD1 ASP A 26 -6.275 15.460 -1.821 1.00 0.00 O ATOM 385 OD2 ASP A 26 -6.520 15.656 -3.996 1.00 0.00 O ATOM 0 H ASP A 26 -2.182 13.832 -3.130 1.00 0.00 H new ATOM 0 HA ASP A 26 -4.579 13.411 -1.638 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -3.729 15.582 -2.697 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -4.175 14.917 -4.255 1.00 0.00 H new ATOM 390 N LYS A 27 -4.225 11.563 -4.147 1.00 0.00 N ATOM 391 CA LYS A 27 -4.862 10.538 -4.960 1.00 0.00 C ATOM 392 C LYS A 27 -5.072 9.296 -4.109 1.00 0.00 C ATOM 393 O LYS A 27 -6.205 8.937 -3.787 1.00 0.00 O ATOM 394 CB LYS A 27 -4.019 10.219 -6.192 1.00 0.00 C ATOM 395 CG LYS A 27 -4.210 11.213 -7.326 1.00 0.00 C ATOM 396 CD LYS A 27 -2.900 11.498 -8.046 1.00 0.00 C ATOM 397 CE LYS A 27 -2.368 12.882 -7.713 1.00 0.00 C ATOM 398 NZ LYS A 27 -3.428 13.924 -7.800 1.00 0.00 N ATOM 0 H LYS A 27 -3.207 11.514 -4.120 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.827 10.902 -5.313 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.967 10.200 -5.908 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.271 9.220 -6.548 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.938 10.821 -8.036 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.619 12.143 -6.931 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.161 10.747 -7.768 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.050 11.415 -9.122 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.947 12.876 -6.707 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.557 13.132 -8.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.015 14.811 -8.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.175 13.606 -8.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.836 14.084 -6.857 1.00 0.00 H new ATOM 412 N ALA A 28 -3.966 8.664 -3.719 1.00 0.00 N ATOM 413 CA ALA A 28 -4.017 7.481 -2.867 1.00 0.00 C ATOM 414 C ALA A 28 -4.969 7.703 -1.697 1.00 0.00 C ATOM 415 O ALA A 28 -5.837 6.875 -1.417 1.00 0.00 O ATOM 416 CB ALA A 28 -2.628 7.154 -2.345 1.00 0.00 C ATOM 0 H ALA A 28 -3.024 8.953 -3.981 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.383 6.644 -3.462 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.677 6.269 -1.710 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.960 6.962 -3.184 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.250 7.996 -1.766 1.00 0.00 H new ATOM 422 N CYS A 29 -4.797 8.835 -1.022 1.00 0.00 N ATOM 423 CA CYS A 29 -5.637 9.186 0.115 1.00 0.00 C ATOM 424 C CYS A 29 -7.104 9.209 -0.293 1.00 0.00 C ATOM 425 O CYS A 29 -7.975 8.772 0.459 1.00 0.00 O ATOM 426 CB CYS A 29 -5.213 10.544 0.679 1.00 0.00 C ATOM 427 SG CYS A 29 -6.295 11.919 0.219 1.00 0.00 S ATOM 0 H CYS A 29 -4.081 9.526 -1.245 1.00 0.00 H new ATOM 0 HA CYS A 29 -5.512 8.431 0.891 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -5.176 10.476 1.766 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -4.201 10.765 0.338 1.00 0.00 H new ATOM 0 HG CYS A 29 -6.932 12.340 1.271 1.00 0.00 H new ATOM 433 N GLY A 30 -7.366 9.704 -1.497 1.00 0.00 N ATOM 434 CA GLY A 30 -8.728 9.753 -1.996 1.00 0.00 C ATOM 435 C GLY A 30 -9.316 8.364 -2.107 1.00 0.00 C ATOM 436 O GLY A 30 -10.477 8.135 -1.765 1.00 0.00 O ATOM 0 H GLY A 30 -6.661 10.072 -2.136 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.342 10.359 -1.329 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.744 10.237 -2.972 1.00 0.00 H new ATOM 440 N LEU A 31 -8.492 7.433 -2.584 1.00 0.00 N ATOM 441 CA LEU A 31 -8.891 6.040 -2.743 1.00 0.00 C ATOM 442 C LEU A 31 -9.575 5.539 -1.468 1.00 0.00 C ATOM 443 O LEU A 31 -10.717 5.079 -1.511 1.00 0.00 O ATOM 444 CB LEU A 31 -7.656 5.195 -3.090 1.00 0.00 C ATOM 445 CG LEU A 31 -7.859 3.679 -3.238 1.00 0.00 C ATOM 446 CD1 LEU A 31 -7.487 2.981 -1.944 1.00 0.00 C ATOM 447 CD2 LEU A 31 -9.286 3.333 -3.653 1.00 0.00 C ATOM 0 H LEU A 31 -7.532 7.624 -2.870 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.609 5.951 -3.558 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.240 5.573 -4.024 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.905 5.361 -2.317 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.203 3.327 -4.034 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.633 1.907 -2.055 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.442 3.183 -1.709 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.118 3.351 -1.136 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.386 2.252 -3.746 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.983 3.698 -2.899 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.510 3.802 -4.611 1.00 0.00 H new ATOM 459 N LEU A 32 -8.887 5.650 -0.333 1.00 0.00 N ATOM 460 CA LEU A 32 -9.474 5.221 0.939 1.00 0.00 C ATOM 461 C LEU A 32 -10.175 6.383 1.639 1.00 0.00 C ATOM 462 O LEU A 32 -11.403 6.450 1.668 1.00 0.00 O ATOM 463 CB LEU A 32 -8.445 4.596 1.890 1.00 0.00 C ATOM 464 CG LEU A 32 -6.983 4.637 1.451 1.00 0.00 C ATOM 465 CD1 LEU A 32 -6.442 6.057 1.498 1.00 0.00 C ATOM 466 CD2 LEU A 32 -6.166 3.720 2.348 1.00 0.00 C ATOM 0 H LEU A 32 -7.941 6.025 -0.265 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.204 4.451 0.689 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.524 5.100 2.853 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.721 3.554 2.051 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.910 4.292 0.420 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.399 6.060 1.181 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.026 6.691 0.831 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.513 6.440 2.516 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.121 3.745 2.039 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.247 4.056 3.382 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.544 2.701 2.267 1.00 0.00 H new ATOM 478 N GLY A 33 -9.387 7.291 2.206 1.00 0.00 N ATOM 479 CA GLY A 33 -9.949 8.435 2.903 1.00 0.00 C ATOM 480 C GLY A 33 -8.973 9.035 3.896 1.00 0.00 C ATOM 481 O GLY A 33 -9.375 9.686 4.862 1.00 0.00 O ATOM 0 H GLY A 33 -8.368 7.255 2.195 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.239 9.194 2.177 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.856 8.131 3.426 1.00 0.00 H new ATOM 485 N TYR A 34 -7.686 8.813 3.652 1.00 0.00 N ATOM 486 CA TYR A 34 -6.632 9.327 4.521 1.00 0.00 C ATOM 487 C TYR A 34 -5.944 10.531 3.876 1.00 0.00 C ATOM 488 O TYR A 34 -6.576 11.308 3.162 1.00 0.00 O ATOM 489 CB TYR A 34 -5.598 8.229 4.787 1.00 0.00 C ATOM 490 CG TYR A 34 -6.042 7.176 5.776 1.00 0.00 C ATOM 491 CD1 TYR A 34 -6.983 6.218 5.424 1.00 0.00 C ATOM 492 CD2 TYR A 34 -5.506 7.132 7.055 1.00 0.00 C ATOM 493 CE1 TYR A 34 -7.379 5.245 6.321 1.00 0.00 C ATOM 494 CE2 TYR A 34 -5.898 6.164 7.960 1.00 0.00 C ATOM 495 CZ TYR A 34 -6.834 5.224 7.588 1.00 0.00 C ATOM 496 OH TYR A 34 -7.224 4.255 8.485 1.00 0.00 O ATOM 0 H TYR A 34 -7.345 8.277 2.854 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.082 9.642 5.463 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -5.353 7.742 3.843 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -4.682 8.691 5.155 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.412 6.234 4.433 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -4.770 7.866 7.348 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.111 4.505 6.032 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.473 6.144 8.953 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.699 3.441 8.336 1.00 0.00 H new ATOM 506 N SER A 35 -4.638 10.656 4.120 1.00 0.00 N ATOM 507 CA SER A 35 -3.830 11.735 3.557 1.00 0.00 C ATOM 508 C SER A 35 -2.404 11.661 4.086 1.00 0.00 C ATOM 509 O SER A 35 -2.129 10.938 5.041 1.00 0.00 O ATOM 510 CB SER A 35 -4.423 13.105 3.859 1.00 0.00 C ATOM 511 OG SER A 35 -4.485 13.349 5.254 1.00 0.00 O ATOM 0 H SER A 35 -4.113 10.013 4.712 1.00 0.00 H new ATOM 0 HA SER A 35 -3.823 11.604 2.475 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.820 13.877 3.380 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.424 13.171 3.432 1.00 0.00 H new ATOM 0 HG SER A 35 -4.868 14.237 5.414 1.00 0.00 H new ATOM 517 N SER A 36 -1.505 12.402 3.450 1.00 0.00 N ATOM 518 CA SER A 36 -0.096 12.422 3.838 1.00 0.00 C ATOM 519 C SER A 36 0.089 12.429 5.355 1.00 0.00 C ATOM 520 O SER A 36 1.013 11.805 5.871 1.00 0.00 O ATOM 521 CB SER A 36 0.599 13.642 3.230 1.00 0.00 C ATOM 522 OG SER A 36 0.424 14.788 4.045 1.00 0.00 O ATOM 0 H SER A 36 -1.727 13.003 2.656 1.00 0.00 H new ATOM 0 HA SER A 36 0.355 11.507 3.455 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.663 13.436 3.110 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.198 13.835 2.235 1.00 0.00 H new ATOM 0 HG SER A 36 0.879 15.553 3.635 1.00 0.00 H new ATOM 528 N GLN A 37 -0.775 13.151 6.063 1.00 0.00 N ATOM 529 CA GLN A 37 -0.675 13.243 7.520 1.00 0.00 C ATOM 530 C GLN A 37 -1.650 12.307 8.240 1.00 0.00 C ATOM 531 O GLN A 37 -1.380 11.862 9.355 1.00 0.00 O ATOM 532 CB GLN A 37 -0.922 14.684 7.968 1.00 0.00 C ATOM 533 CG GLN A 37 -2.256 15.245 7.502 1.00 0.00 C ATOM 534 CD GLN A 37 -2.214 16.744 7.286 1.00 0.00 C ATOM 535 OE1 GLN A 37 -2.925 17.500 7.948 1.00 0.00 O ATOM 536 NE2 GLN A 37 -1.378 17.185 6.352 1.00 0.00 N ATOM 0 H GLN A 37 -1.548 13.678 5.657 1.00 0.00 H new ATOM 0 HA GLN A 37 0.334 12.931 7.791 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.878 14.730 9.056 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.119 15.316 7.589 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.547 14.756 6.572 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.023 15.009 8.240 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.806 16.524 5.826 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -1.308 18.185 6.161 1.00 0.00 H new ATOM 545 N ASP A 38 -2.793 12.039 7.617 1.00 0.00 N ATOM 546 CA ASP A 38 -3.817 11.188 8.226 1.00 0.00 C ATOM 547 C ASP A 38 -3.427 9.709 8.243 1.00 0.00 C ATOM 548 O ASP A 38 -3.944 8.940 9.053 1.00 0.00 O ATOM 549 CB ASP A 38 -5.145 11.353 7.487 1.00 0.00 C ATOM 550 CG ASP A 38 -6.261 11.827 8.399 1.00 0.00 C ATOM 551 OD1 ASP A 38 -6.360 13.050 8.627 1.00 0.00 O ATOM 552 OD2 ASP A 38 -7.035 10.975 8.883 1.00 0.00 O ATOM 0 H ASP A 38 -3.036 12.396 6.693 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.917 11.512 9.262 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.018 12.066 6.672 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.427 10.401 7.037 1.00 0.00 H new ATOM 557 N LEU A 39 -2.536 9.304 7.343 1.00 0.00 N ATOM 558 CA LEU A 39 -2.123 7.906 7.271 1.00 0.00 C ATOM 559 C LEU A 39 -0.666 7.712 7.689 1.00 0.00 C ATOM 560 O LEU A 39 -0.244 6.593 7.981 1.00 0.00 O ATOM 561 CB LEU A 39 -2.344 7.365 5.856 1.00 0.00 C ATOM 562 CG LEU A 39 -1.565 8.082 4.759 1.00 0.00 C ATOM 563 CD1 LEU A 39 -0.280 7.340 4.444 1.00 0.00 C ATOM 564 CD2 LEU A 39 -2.424 8.221 3.513 1.00 0.00 C ATOM 0 H LEU A 39 -2.090 9.916 6.660 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.739 7.347 7.975 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.073 6.309 5.841 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.407 7.425 5.623 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.302 9.079 5.113 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.262 7.867 3.659 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.339 7.288 5.340 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.516 6.331 4.107 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.858 8.735 2.736 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.713 7.232 3.158 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.319 8.797 3.750 1.00 0.00 H new ATOM 576 N ILE A 40 0.099 8.799 7.719 1.00 0.00 N ATOM 577 CA ILE A 40 1.505 8.722 8.105 1.00 0.00 C ATOM 578 C ILE A 40 1.648 8.260 9.552 1.00 0.00 C ATOM 579 O ILE A 40 0.861 8.643 10.420 1.00 0.00 O ATOM 580 CB ILE A 40 2.219 10.078 7.917 1.00 0.00 C ATOM 581 CG1 ILE A 40 3.745 9.892 7.927 1.00 0.00 C ATOM 582 CG2 ILE A 40 1.772 11.079 8.977 1.00 0.00 C ATOM 583 CD1 ILE A 40 4.369 9.907 9.308 1.00 0.00 C ATOM 0 H ILE A 40 -0.227 9.736 7.483 1.00 0.00 H new ATOM 0 HA ILE A 40 1.979 7.991 7.450 1.00 0.00 H new ATOM 0 HB ILE A 40 1.939 10.483 6.944 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.987 8.946 7.443 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.199 10.682 7.328 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.289 12.026 8.824 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.696 11.236 8.899 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.011 10.691 9.967 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.447 9.769 9.222 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.163 10.863 9.790 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.947 9.100 9.907 1.00 0.00 H new ATOM 595 N GLY A 41 2.656 7.431 9.805 1.00 0.00 N ATOM 596 CA GLY A 41 2.885 6.926 11.146 1.00 0.00 C ATOM 597 C GLY A 41 2.502 5.467 11.284 1.00 0.00 C ATOM 598 O GLY A 41 2.991 4.771 12.175 1.00 0.00 O ATOM 0 H GLY A 41 3.319 7.100 9.104 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.937 7.049 11.403 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.311 7.519 11.858 1.00 0.00 H new ATOM 602 N GLN A 42 1.630 5.001 10.395 1.00 0.00 N ATOM 603 CA GLN A 42 1.186 3.612 10.416 1.00 0.00 C ATOM 604 C GLN A 42 1.606 2.900 9.137 1.00 0.00 C ATOM 605 O GLN A 42 2.372 3.439 8.343 1.00 0.00 O ATOM 606 CB GLN A 42 -0.334 3.539 10.580 1.00 0.00 C ATOM 607 CG GLN A 42 -0.899 4.597 11.513 1.00 0.00 C ATOM 608 CD GLN A 42 -2.351 4.919 11.219 1.00 0.00 C ATOM 609 OE1 GLN A 42 -3.217 4.769 12.078 1.00 0.00 O ATOM 610 NE2 GLN A 42 -2.621 5.365 9.997 1.00 0.00 N ATOM 0 H GLN A 42 1.217 5.565 9.652 1.00 0.00 H new ATOM 0 HA GLN A 42 1.655 3.115 11.265 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.802 3.643 9.601 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -0.603 2.553 10.958 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -0.809 4.253 12.543 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -0.305 5.507 11.427 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -1.869 5.474 9.316 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -3.580 5.599 9.740 1.00 0.00 H new ATOM 619 N LYS A 43 1.095 1.691 8.942 1.00 0.00 N ATOM 620 CA LYS A 43 1.414 0.909 7.752 1.00 0.00 C ATOM 621 C LYS A 43 0.219 0.875 6.809 1.00 0.00 C ATOM 622 O LYS A 43 -0.902 0.624 7.236 1.00 0.00 O ATOM 623 CB LYS A 43 1.818 -0.515 8.141 1.00 0.00 C ATOM 624 CG LYS A 43 2.543 -0.602 9.476 1.00 0.00 C ATOM 625 CD LYS A 43 2.796 -2.045 9.877 1.00 0.00 C ATOM 626 CE LYS A 43 3.493 -2.137 11.224 1.00 0.00 C ATOM 627 NZ LYS A 43 2.766 -1.381 12.281 1.00 0.00 N ATOM 0 H LYS A 43 0.458 1.230 9.592 1.00 0.00 H new ATOM 0 HA LYS A 43 2.253 1.382 7.241 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.925 -1.138 8.181 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.459 -0.927 7.362 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.492 -0.069 9.412 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.951 -0.107 10.246 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.849 -2.583 9.919 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.406 -2.533 9.117 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.576 -3.183 11.519 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.508 -1.750 11.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.129 -1.656 13.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.911 -0.361 12.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.750 -1.597 12.226 1.00 0.00 H new ATOM 641 N LEU A 44 0.462 1.164 5.531 1.00 0.00 N ATOM 642 CA LEU A 44 -0.614 1.191 4.538 1.00 0.00 C ATOM 643 C LEU A 44 -1.514 -0.040 4.627 1.00 0.00 C ATOM 644 O LEU A 44 -2.734 0.080 4.568 1.00 0.00 O ATOM 645 CB LEU A 44 -0.056 1.308 3.112 1.00 0.00 C ATOM 646 CG LEU A 44 1.393 0.854 2.902 1.00 0.00 C ATOM 647 CD1 LEU A 44 1.563 -0.617 3.246 1.00 0.00 C ATOM 648 CD2 LEU A 44 1.815 1.102 1.462 1.00 0.00 C ATOM 0 H LEU A 44 1.387 1.381 5.160 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.214 2.073 4.764 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.695 0.726 2.448 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.135 2.349 2.800 1.00 0.00 H new ATOM 0 HG LEU A 44 2.029 1.436 3.569 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.601 -0.910 3.087 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.296 -0.780 4.290 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.915 -1.217 2.608 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.846 0.776 1.324 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.164 0.542 0.791 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.738 2.166 1.238 1.00 0.00 H new ATOM 660 N THR A 45 -0.906 -1.216 4.747 1.00 0.00 N ATOM 661 CA THR A 45 -1.658 -2.470 4.813 1.00 0.00 C ATOM 662 C THR A 45 -2.708 -2.462 5.920 1.00 0.00 C ATOM 663 O THR A 45 -3.613 -3.296 5.928 1.00 0.00 O ATOM 664 CB THR A 45 -0.739 -3.695 4.989 1.00 0.00 C ATOM 665 OG1 THR A 45 -1.191 -4.500 6.082 1.00 0.00 O ATOM 666 CG2 THR A 45 0.706 -3.284 5.226 1.00 0.00 C ATOM 0 H THR A 45 0.106 -1.330 4.801 1.00 0.00 H new ATOM 0 HA THR A 45 -2.168 -2.551 3.853 1.00 0.00 H new ATOM 0 HB THR A 45 -0.783 -4.271 4.065 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.320 -5.422 5.777 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.323 -4.175 5.345 1.00 0.00 H new ATOM 0 HG22 THR A 45 1.064 -2.706 4.374 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.768 -2.676 6.129 1.00 0.00 H new ATOM 674 N GLN A 46 -2.598 -1.511 6.838 1.00 0.00 N ATOM 675 CA GLN A 46 -3.559 -1.400 7.929 1.00 0.00 C ATOM 676 C GLN A 46 -4.934 -1.091 7.362 1.00 0.00 C ATOM 677 O GLN A 46 -5.961 -1.385 7.974 1.00 0.00 O ATOM 678 CB GLN A 46 -3.140 -0.304 8.909 1.00 0.00 C ATOM 679 CG GLN A 46 -3.697 -0.494 10.312 1.00 0.00 C ATOM 680 CD GLN A 46 -2.646 -0.316 11.391 1.00 0.00 C ATOM 681 OE1 GLN A 46 -1.655 0.526 11.122 1.00 0.00 O flip ATOM 682 NE2 GLN A 46 -2.725 -0.930 12.456 1.00 0.00 N flip ATOM 0 H GLN A 46 -1.858 -0.809 6.850 1.00 0.00 H new ATOM 0 HA GLN A 46 -3.590 -2.347 8.468 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -2.052 -0.272 8.961 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -3.470 0.661 8.524 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -4.505 0.219 10.477 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.130 -1.491 10.394 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -3.504 -1.567 12.621 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.011 -0.801 13.173 1.00 0.00 H new ATOM 691 N PHE A 47 -4.932 -0.477 6.186 1.00 0.00 N ATOM 692 CA PHE A 47 -6.165 -0.098 5.511 1.00 0.00 C ATOM 693 C PHE A 47 -6.353 -0.898 4.223 1.00 0.00 C ATOM 694 O PHE A 47 -6.706 -0.338 3.187 1.00 0.00 O ATOM 695 CB PHE A 47 -6.152 1.401 5.192 1.00 0.00 C ATOM 696 CG PHE A 47 -5.071 2.171 5.904 1.00 0.00 C ATOM 697 CD1 PHE A 47 -5.081 2.300 7.284 1.00 0.00 C ATOM 698 CD2 PHE A 47 -4.046 2.767 5.187 1.00 0.00 C ATOM 699 CE1 PHE A 47 -4.088 3.007 7.935 1.00 0.00 C ATOM 700 CE2 PHE A 47 -3.051 3.476 5.833 1.00 0.00 C ATOM 701 CZ PHE A 47 -3.072 3.596 7.208 1.00 0.00 C ATOM 0 H PHE A 47 -4.083 -0.230 5.677 1.00 0.00 H new ATOM 0 HA PHE A 47 -6.998 -0.319 6.179 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.029 1.532 4.117 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.120 1.826 5.456 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -5.874 1.843 7.857 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -4.024 2.676 4.111 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.106 3.099 9.011 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.258 3.936 5.262 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.295 4.150 7.715 1.00 0.00 H new ATOM 711 N PHE A 48 -6.118 -2.207 4.298 1.00 0.00 N ATOM 712 CA PHE A 48 -6.266 -3.087 3.139 1.00 0.00 C ATOM 713 C PHE A 48 -6.716 -4.480 3.571 1.00 0.00 C ATOM 714 O PHE A 48 -6.517 -4.872 4.719 1.00 0.00 O ATOM 715 CB PHE A 48 -4.951 -3.171 2.355 1.00 0.00 C ATOM 716 CG PHE A 48 -4.538 -1.855 1.754 1.00 0.00 C ATOM 717 CD1 PHE A 48 -5.344 -1.214 0.829 1.00 0.00 C ATOM 718 CD2 PHE A 48 -3.350 -1.253 2.125 1.00 0.00 C ATOM 719 CE1 PHE A 48 -4.974 0.001 0.288 1.00 0.00 C ATOM 720 CE2 PHE A 48 -2.970 -0.040 1.585 1.00 0.00 C ATOM 721 CZ PHE A 48 -3.784 0.588 0.666 1.00 0.00 C ATOM 0 H PHE A 48 -5.824 -2.683 5.151 1.00 0.00 H new ATOM 0 HA PHE A 48 -7.032 -2.665 2.488 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.161 -3.525 3.018 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.055 -3.910 1.561 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.275 -1.671 0.526 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.710 -1.738 2.847 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -5.615 0.491 -0.430 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -2.037 0.416 1.882 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.491 1.537 0.243 1.00 0.00 H new ATOM 731 N LEU A 49 -7.329 -5.207 2.633 1.00 0.00 N ATOM 732 CA LEU A 49 -7.843 -6.565 2.864 1.00 0.00 C ATOM 733 C LEU A 49 -8.252 -6.787 4.318 1.00 0.00 C ATOM 734 O LEU A 49 -9.404 -6.553 4.683 1.00 0.00 O ATOM 735 CB LEU A 49 -6.843 -7.659 2.431 1.00 0.00 C ATOM 736 CG LEU A 49 -5.503 -7.206 1.823 1.00 0.00 C ATOM 737 CD1 LEU A 49 -5.707 -6.260 0.649 1.00 0.00 C ATOM 738 CD2 LEU A 49 -4.613 -6.574 2.884 1.00 0.00 C ATOM 0 H LEU A 49 -7.485 -4.869 1.683 1.00 0.00 H new ATOM 0 HA LEU A 49 -8.731 -6.650 2.237 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -6.624 -8.276 3.302 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.341 -8.300 1.704 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.001 -8.094 1.440 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.738 -5.963 0.248 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.283 -6.763 -0.128 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.247 -5.375 0.985 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.672 -6.262 2.431 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.116 -5.706 3.311 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.413 -7.301 3.671 1.00 0.00 H new ATOM 750 N ARG A 50 -7.313 -7.241 5.140 1.00 0.00 N ATOM 751 CA ARG A 50 -7.594 -7.491 6.549 1.00 0.00 C ATOM 752 C ARG A 50 -6.577 -6.787 7.442 1.00 0.00 C ATOM 753 O ARG A 50 -5.377 -7.046 7.359 1.00 0.00 O ATOM 754 CB ARG A 50 -7.596 -8.990 6.838 1.00 0.00 C ATOM 755 CG ARG A 50 -8.823 -9.451 7.603 1.00 0.00 C ATOM 756 CD ARG A 50 -8.511 -10.638 8.500 1.00 0.00 C ATOM 757 NE ARG A 50 -9.719 -11.213 9.086 1.00 0.00 N ATOM 758 CZ ARG A 50 -9.738 -12.350 9.775 1.00 0.00 C ATOM 759 NH1 ARG A 50 -8.617 -13.032 9.968 1.00 0.00 N ATOM 760 NH2 ARG A 50 -10.878 -12.805 10.275 1.00 0.00 N ATOM 0 H ARG A 50 -6.354 -7.443 4.857 1.00 0.00 H new ATOM 0 HA ARG A 50 -8.583 -7.089 6.770 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -7.538 -9.535 5.896 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -6.703 -9.244 7.409 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -9.206 -8.629 8.207 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -9.610 -9.723 6.900 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -7.989 -11.401 7.923 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -7.836 -10.323 9.296 1.00 0.00 H new ATOM 0 HE ARG A 50 -10.599 -10.713 8.959 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -7.737 -12.685 9.587 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -8.635 -13.904 10.497 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -11.742 -12.283 10.131 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -10.891 -13.677 10.803 1.00 0.00 H new ATOM 774 N SER A 51 -7.073 -5.895 8.294 1.00 0.00 N ATOM 775 CA SER A 51 -6.221 -5.144 9.208 1.00 0.00 C ATOM 776 C SER A 51 -5.974 -5.923 10.497 1.00 0.00 C ATOM 777 O SER A 51 -5.235 -5.473 11.371 1.00 0.00 O ATOM 778 CB SER A 51 -6.862 -3.798 9.541 1.00 0.00 C ATOM 779 OG SER A 51 -8.194 -3.964 9.990 1.00 0.00 O ATOM 0 H SER A 51 -8.066 -5.674 8.370 1.00 0.00 H new ATOM 0 HA SER A 51 -5.264 -4.980 8.713 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.276 -3.293 10.309 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.850 -3.158 8.659 1.00 0.00 H new ATOM 0 HG SER A 51 -8.581 -3.088 10.198 1.00 0.00 H new ATOM 785 N ASP A 52 -6.620 -7.077 10.619 1.00 0.00 N ATOM 786 CA ASP A 52 -6.493 -7.898 11.817 1.00 0.00 C ATOM 787 C ASP A 52 -5.313 -8.868 11.748 1.00 0.00 C ATOM 788 O ASP A 52 -4.334 -8.717 12.479 1.00 0.00 O ATOM 789 CB ASP A 52 -7.785 -8.677 12.054 1.00 0.00 C ATOM 790 CG ASP A 52 -8.439 -8.325 13.375 1.00 0.00 C ATOM 791 OD1 ASP A 52 -9.173 -7.315 13.423 1.00 0.00 O ATOM 792 OD2 ASP A 52 -8.215 -9.056 14.361 1.00 0.00 O ATOM 0 H ASP A 52 -7.236 -7.465 9.904 1.00 0.00 H new ATOM 0 HA ASP A 52 -6.304 -7.219 12.648 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.482 -8.474 11.241 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.571 -9.746 12.031 1.00 0.00 H new ATOM 797 N SER A 53 -5.427 -9.888 10.900 1.00 0.00 N ATOM 798 CA SER A 53 -4.381 -10.907 10.780 1.00 0.00 C ATOM 799 C SER A 53 -3.360 -10.594 9.684 1.00 0.00 C ATOM 800 O SER A 53 -2.154 -10.638 9.928 1.00 0.00 O ATOM 801 CB SER A 53 -5.019 -12.267 10.507 1.00 0.00 C ATOM 802 OG SER A 53 -5.698 -12.272 9.263 1.00 0.00 O ATOM 0 H SER A 53 -6.229 -10.033 10.287 1.00 0.00 H new ATOM 0 HA SER A 53 -3.840 -10.918 11.726 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.250 -13.040 10.508 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.718 -12.511 11.307 1.00 0.00 H new ATOM 0 HG SER A 53 -5.944 -13.191 9.028 1.00 0.00 H new ATOM 808 N ASP A 54 -3.848 -10.321 8.479 1.00 0.00 N ATOM 809 CA ASP A 54 -2.984 -10.044 7.330 1.00 0.00 C ATOM 810 C ASP A 54 -1.838 -9.085 7.662 1.00 0.00 C ATOM 811 O ASP A 54 -0.671 -9.408 7.447 1.00 0.00 O ATOM 812 CB ASP A 54 -3.810 -9.476 6.175 1.00 0.00 C ATOM 813 CG ASP A 54 -4.212 -10.542 5.173 1.00 0.00 C ATOM 814 OD1 ASP A 54 -4.438 -11.696 5.593 1.00 0.00 O ATOM 815 OD2 ASP A 54 -4.301 -10.222 3.969 1.00 0.00 O ATOM 0 H ASP A 54 -4.845 -10.285 8.269 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.536 -10.994 7.040 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.706 -8.999 6.573 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.235 -8.702 5.667 1.00 0.00 H new ATOM 820 N VAL A 55 -2.175 -7.901 8.156 1.00 0.00 N ATOM 821 CA VAL A 55 -1.170 -6.886 8.487 1.00 0.00 C ATOM 822 C VAL A 55 -0.149 -7.377 9.512 1.00 0.00 C ATOM 823 O VAL A 55 0.879 -6.734 9.725 1.00 0.00 O ATOM 824 CB VAL A 55 -1.838 -5.608 9.025 1.00 0.00 C ATOM 825 CG1 VAL A 55 -0.856 -4.447 9.043 1.00 0.00 C ATOM 826 CG2 VAL A 55 -3.061 -5.265 8.194 1.00 0.00 C ATOM 0 H VAL A 55 -3.137 -7.615 8.338 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.642 -6.672 7.558 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.156 -5.792 10.051 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.353 -3.556 9.427 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.010 -4.696 9.684 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.500 -4.256 8.031 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.524 -4.359 8.585 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.763 -5.102 7.158 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.775 -6.087 8.241 1.00 0.00 H new ATOM 836 N VAL A 56 -0.435 -8.498 10.159 1.00 0.00 N ATOM 837 CA VAL A 56 0.468 -9.035 11.171 1.00 0.00 C ATOM 838 C VAL A 56 1.420 -10.092 10.612 1.00 0.00 C ATOM 839 O VAL A 56 2.575 -10.158 11.019 1.00 0.00 O ATOM 840 CB VAL A 56 -0.310 -9.641 12.353 1.00 0.00 C ATOM 841 CG1 VAL A 56 0.632 -9.981 13.496 1.00 0.00 C ATOM 842 CG2 VAL A 56 -1.397 -8.682 12.818 1.00 0.00 C ATOM 0 H VAL A 56 -1.278 -9.051 10.004 1.00 0.00 H new ATOM 0 HA VAL A 56 1.061 -8.188 11.516 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.784 -10.564 12.019 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.063 -10.408 14.322 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.373 -10.704 13.154 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.137 -9.076 13.833 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.939 -9.124 13.654 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.943 -7.743 13.135 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.089 -8.491 11.998 1.00 0.00 H new ATOM 852 N GLU A 57 0.935 -10.926 9.696 1.00 0.00 N ATOM 853 CA GLU A 57 1.768 -11.982 9.118 1.00 0.00 C ATOM 854 C GLU A 57 2.485 -11.513 7.854 1.00 0.00 C ATOM 855 O GLU A 57 3.620 -11.907 7.588 1.00 0.00 O ATOM 856 CB GLU A 57 0.925 -13.221 8.802 1.00 0.00 C ATOM 857 CG GLU A 57 -0.512 -13.137 9.297 1.00 0.00 C ATOM 858 CD GLU A 57 -0.879 -14.277 10.226 1.00 0.00 C ATOM 859 OE1 GLU A 57 -1.279 -15.347 9.722 1.00 0.00 O ATOM 860 OE2 GLU A 57 -0.763 -14.100 11.457 1.00 0.00 O ATOM 0 H GLU A 57 -0.020 -10.894 9.339 1.00 0.00 H new ATOM 0 HA GLU A 57 2.523 -12.237 9.861 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.918 -13.377 7.723 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.401 -14.095 9.247 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.658 -12.190 9.816 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.187 -13.139 8.441 1.00 0.00 H new ATOM 867 N ALA A 58 1.799 -10.693 7.065 1.00 0.00 N ATOM 868 CA ALA A 58 2.344 -10.189 5.807 1.00 0.00 C ATOM 869 C ALA A 58 3.629 -9.383 5.991 1.00 0.00 C ATOM 870 O ALA A 58 4.545 -9.481 5.174 1.00 0.00 O ATOM 871 CB ALA A 58 1.300 -9.344 5.091 1.00 0.00 C ATOM 0 H ALA A 58 0.858 -10.361 7.276 1.00 0.00 H new ATOM 0 HA ALA A 58 2.601 -11.060 5.204 1.00 0.00 H new ATOM 0 HB1 ALA A 58 1.714 -8.972 4.154 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.420 -9.952 4.883 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.018 -8.502 5.723 1.00 0.00 H new ATOM 1086 N PHE A 74 0.119 -9.038 -0.400 1.00 0.00 N ATOM 1087 CA PHE A 74 -0.253 -7.636 -0.545 1.00 0.00 C ATOM 1088 C PHE A 74 0.463 -7.022 -1.752 1.00 0.00 C ATOM 1089 O PHE A 74 0.533 -5.806 -1.904 1.00 0.00 O ATOM 1090 CB PHE A 74 0.078 -6.870 0.747 1.00 0.00 C ATOM 1091 CG PHE A 74 -0.263 -5.406 0.706 1.00 0.00 C ATOM 1092 CD1 PHE A 74 -1.509 -4.965 0.274 1.00 0.00 C ATOM 1093 CD2 PHE A 74 0.675 -4.466 1.098 1.00 0.00 C ATOM 1094 CE1 PHE A 74 -1.804 -3.617 0.235 1.00 0.00 C ATOM 1095 CE2 PHE A 74 0.386 -3.117 1.058 1.00 0.00 C ATOM 1096 CZ PHE A 74 -0.855 -2.692 0.624 1.00 0.00 C ATOM 0 HA PHE A 74 -1.327 -7.564 -0.719 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -0.458 -7.332 1.576 1.00 0.00 H new ATOM 0 HB3 PHE A 74 1.142 -6.977 0.956 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -2.253 -5.684 -0.034 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.646 -4.793 1.440 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -2.776 -3.286 -0.099 1.00 0.00 H new ATOM 0 HE2 PHE A 74 1.128 -2.395 1.365 1.00 0.00 H new ATOM 0 HZ PHE A 74 -1.083 -1.637 0.589 1.00 0.00 H new ATOM 1106 N GLY A 75 0.979 -7.888 -2.619 1.00 0.00 N ATOM 1107 CA GLY A 75 1.667 -7.435 -3.816 1.00 0.00 C ATOM 1108 C GLY A 75 1.006 -7.973 -5.069 1.00 0.00 C ATOM 1109 O GLY A 75 1.665 -8.234 -6.074 1.00 0.00 O ATOM 0 H GLY A 75 0.933 -8.901 -2.513 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.672 -6.345 -3.844 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.708 -7.758 -3.784 1.00 0.00 H new ATOM 1113 N THR A 76 -0.307 -8.143 -4.986 1.00 0.00 N ATOM 1114 CA THR A 76 -1.104 -8.659 -6.091 1.00 0.00 C ATOM 1115 C THR A 76 -2.506 -8.065 -6.069 1.00 0.00 C ATOM 1116 O THR A 76 -2.907 -7.448 -5.081 1.00 0.00 O ATOM 1117 CB THR A 76 -1.207 -10.196 -6.040 1.00 0.00 C ATOM 1118 OG1 THR A 76 -0.045 -10.745 -5.408 1.00 0.00 O ATOM 1119 CG2 THR A 76 -1.352 -10.776 -7.439 1.00 0.00 C ATOM 0 H THR A 76 -0.850 -7.927 -4.150 1.00 0.00 H new ATOM 0 HA THR A 76 -0.600 -8.370 -7.013 1.00 0.00 H new ATOM 0 HB THR A 76 -2.093 -10.459 -5.462 1.00 0.00 H new ATOM 0 HG1 THR A 76 -0.119 -11.722 -5.378 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.423 -11.862 -7.377 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.254 -10.380 -7.906 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.483 -10.503 -8.038 1.00 0.00 H new ATOM 1127 N VAL A 77 -3.253 -8.251 -7.153 1.00 0.00 N ATOM 1128 CA VAL A 77 -4.613 -7.735 -7.222 1.00 0.00 C ATOM 1129 C VAL A 77 -5.461 -8.417 -6.154 1.00 0.00 C ATOM 1130 O VAL A 77 -5.899 -9.555 -6.325 1.00 0.00 O ATOM 1131 CB VAL A 77 -5.241 -7.982 -8.608 1.00 0.00 C ATOM 1132 CG1 VAL A 77 -6.573 -7.257 -8.733 1.00 0.00 C ATOM 1133 CG2 VAL A 77 -4.286 -7.553 -9.711 1.00 0.00 C ATOM 0 H VAL A 77 -2.943 -8.750 -7.987 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.580 -6.659 -7.053 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.427 -9.051 -8.715 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.998 -7.445 -9.719 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.258 -7.620 -7.967 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.418 -6.186 -8.603 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.746 -7.735 -10.682 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.064 -6.491 -9.608 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.362 -8.125 -9.635 1.00 0.00 H new ATOM 1143 N VAL A 78 -5.661 -7.720 -5.039 1.00 0.00 N ATOM 1144 CA VAL A 78 -6.427 -8.260 -3.920 1.00 0.00 C ATOM 1145 C VAL A 78 -7.624 -7.386 -3.576 1.00 0.00 C ATOM 1146 O VAL A 78 -7.867 -6.361 -4.208 1.00 0.00 O ATOM 1147 CB VAL A 78 -5.545 -8.372 -2.660 1.00 0.00 C ATOM 1148 CG1 VAL A 78 -4.647 -9.594 -2.729 1.00 0.00 C ATOM 1149 CG2 VAL A 78 -4.721 -7.109 -2.475 1.00 0.00 C ATOM 0 H VAL A 78 -5.302 -6.778 -4.886 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.777 -9.244 -4.232 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.200 -8.487 -1.796 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.036 -9.648 -1.828 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.260 -10.492 -2.806 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.999 -9.521 -3.602 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.104 -7.205 -1.581 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.080 -6.962 -3.344 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.387 -6.253 -2.366 1.00 0.00 H new ATOM 1159 N ASP A 79 -8.350 -7.797 -2.543 1.00 0.00 N ATOM 1160 CA ASP A 79 -9.509 -7.056 -2.071 1.00 0.00 C ATOM 1161 C ASP A 79 -9.096 -6.167 -0.907 1.00 0.00 C ATOM 1162 O ASP A 79 -8.693 -6.662 0.140 1.00 0.00 O ATOM 1163 CB ASP A 79 -10.615 -8.017 -1.630 1.00 0.00 C ATOM 1164 CG ASP A 79 -11.694 -8.176 -2.683 1.00 0.00 C ATOM 1165 OD1 ASP A 79 -11.380 -8.672 -3.784 1.00 0.00 O ATOM 1166 OD2 ASP A 79 -12.853 -7.802 -2.405 1.00 0.00 O ATOM 0 H ASP A 79 -8.153 -8.646 -2.014 1.00 0.00 H new ATOM 0 HA ASP A 79 -9.894 -6.439 -2.883 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -10.180 -8.992 -1.409 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -11.063 -7.652 -0.706 1.00 0.00 H new ATOM 1171 N ILE A 80 -9.179 -4.857 -1.100 1.00 0.00 N ATOM 1172 CA ILE A 80 -8.790 -3.913 -0.062 1.00 0.00 C ATOM 1173 C ILE A 80 -10.002 -3.313 0.639 1.00 0.00 C ATOM 1174 O ILE A 80 -11.132 -3.430 0.164 1.00 0.00 O ATOM 1175 CB ILE A 80 -7.923 -2.779 -0.639 1.00 0.00 C ATOM 1176 CG1 ILE A 80 -8.753 -1.870 -1.549 1.00 0.00 C ATOM 1177 CG2 ILE A 80 -6.733 -3.354 -1.395 1.00 0.00 C ATOM 1178 CD1 ILE A 80 -8.127 -0.511 -1.775 1.00 0.00 C ATOM 0 H ILE A 80 -9.511 -4.426 -1.963 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.208 -4.474 0.669 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.549 -2.177 0.189 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.892 -2.362 -2.512 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.743 -1.738 -1.112 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.130 -2.540 -1.797 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.127 -3.954 -0.717 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.090 -3.980 -2.213 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.768 0.081 -2.429 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -8.012 0.000 -0.819 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -7.149 -0.634 -2.240 1.00 0.00 H new ATOM 1190 N ILE A 81 -9.752 -2.668 1.773 1.00 0.00 N ATOM 1191 CA ILE A 81 -10.810 -2.038 2.554 1.00 0.00 C ATOM 1192 C ILE A 81 -10.312 -0.742 3.184 1.00 0.00 C ATOM 1193 O ILE A 81 -9.171 -0.660 3.631 1.00 0.00 O ATOM 1194 CB ILE A 81 -11.320 -2.970 3.669 1.00 0.00 C ATOM 1195 CG1 ILE A 81 -10.143 -3.590 4.423 1.00 0.00 C ATOM 1196 CG2 ILE A 81 -12.213 -4.054 3.084 1.00 0.00 C ATOM 1197 CD1 ILE A 81 -10.504 -4.062 5.815 1.00 0.00 C ATOM 0 H ILE A 81 -8.819 -2.567 2.174 1.00 0.00 H new ATOM 0 HA ILE A 81 -11.631 -1.825 1.869 1.00 0.00 H new ATOM 0 HB ILE A 81 -11.909 -2.383 4.374 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -9.757 -4.433 3.850 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.339 -2.857 4.493 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -12.566 -4.705 3.884 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -13.067 -3.593 2.587 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -11.647 -4.641 2.361 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -9.624 -4.491 6.293 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -10.862 -3.218 6.404 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -11.287 -4.818 5.751 1.00 0.00 H new ATOM 1209 N SER A 82 -11.173 0.267 3.221 1.00 0.00 N ATOM 1210 CA SER A 82 -10.808 1.552 3.801 1.00 0.00 C ATOM 1211 C SER A 82 -11.129 1.592 5.291 1.00 0.00 C ATOM 1212 O SER A 82 -11.854 0.737 5.801 1.00 0.00 O ATOM 1213 CB SER A 82 -11.529 2.688 3.074 1.00 0.00 C ATOM 1214 OG SER A 82 -12.592 3.204 3.858 1.00 0.00 O ATOM 0 H SER A 82 -12.125 0.221 2.858 1.00 0.00 H new ATOM 0 HA SER A 82 -9.732 1.683 3.682 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.821 3.485 2.846 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.918 2.326 2.122 1.00 0.00 H new ATOM 0 HG SER A 82 -13.035 3.930 3.371 1.00 0.00 H new ATOM 1220 N ARG A 83 -10.564 2.575 5.981 1.00 0.00 N ATOM 1221 CA ARG A 83 -10.768 2.729 7.421 1.00 0.00 C ATOM 1222 C ARG A 83 -12.241 2.599 7.815 1.00 0.00 C ATOM 1223 O ARG A 83 -12.556 2.122 8.906 1.00 0.00 O ATOM 1224 CB ARG A 83 -10.225 4.081 7.890 1.00 0.00 C ATOM 1225 CG ARG A 83 -11.173 5.245 7.643 1.00 0.00 C ATOM 1226 CD ARG A 83 -10.417 6.515 7.287 1.00 0.00 C ATOM 1227 NE ARG A 83 -10.460 7.499 8.366 1.00 0.00 N ATOM 1228 CZ ARG A 83 -11.253 8.566 8.363 1.00 0.00 C ATOM 1229 NH1 ARG A 83 -12.066 8.790 7.339 1.00 0.00 N ATOM 1230 NH2 ARG A 83 -11.232 9.409 9.384 1.00 0.00 N ATOM 0 H ARG A 83 -9.957 3.282 5.566 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.223 1.922 7.911 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -10.006 4.023 8.956 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.282 4.279 7.381 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -11.860 4.991 6.836 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.778 5.418 8.533 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.379 6.268 7.063 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -10.844 6.950 6.383 1.00 0.00 H new ATOM 0 HE ARG A 83 -9.846 7.359 9.168 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.084 8.143 6.551 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -12.673 9.610 7.340 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -10.607 9.240 10.172 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -11.840 10.228 9.382 1.00 0.00 H new ATOM 1244 N SER A 84 -13.142 3.030 6.933 1.00 0.00 N ATOM 1245 CA SER A 84 -14.574 2.963 7.211 1.00 0.00 C ATOM 1246 C SER A 84 -15.180 1.659 6.704 1.00 0.00 C ATOM 1247 O SER A 84 -16.253 1.249 7.148 1.00 0.00 O ATOM 1248 CB SER A 84 -15.294 4.153 6.571 1.00 0.00 C ATOM 1249 OG SER A 84 -14.701 5.379 6.960 1.00 0.00 O ATOM 0 H SER A 84 -12.906 3.428 6.024 1.00 0.00 H new ATOM 0 HA SER A 84 -14.704 3.000 8.293 1.00 0.00 H new ATOM 0 HB2 SER A 84 -15.263 4.059 5.485 1.00 0.00 H new ATOM 0 HB3 SER A 84 -16.344 4.145 6.862 1.00 0.00 H new ATOM 0 HG SER A 84 -15.179 6.122 6.536 1.00 0.00 H new ATOM 1255 N GLY A 85 -14.489 1.013 5.772 1.00 0.00 N ATOM 1256 CA GLY A 85 -14.976 -0.238 5.222 1.00 0.00 C ATOM 1257 C GLY A 85 -15.360 -0.111 3.761 1.00 0.00 C ATOM 1258 O GLY A 85 -16.503 0.216 3.439 1.00 0.00 O ATOM 0 H GLY A 85 -13.600 1.333 5.387 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -14.207 -1.003 5.328 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.841 -0.573 5.795 1.00 0.00 H new ATOM 1262 N GLU A 86 -14.403 -0.369 2.877 1.00 0.00 N ATOM 1263 CA GLU A 86 -14.644 -0.279 1.442 1.00 0.00 C ATOM 1264 C GLU A 86 -14.132 -1.522 0.722 1.00 0.00 C ATOM 1265 O GLU A 86 -13.025 -1.528 0.181 1.00 0.00 O ATOM 1266 CB GLU A 86 -13.974 0.975 0.870 1.00 0.00 C ATOM 1267 CG GLU A 86 -14.215 1.174 -0.617 1.00 0.00 C ATOM 1268 CD GLU A 86 -15.620 1.656 -0.921 1.00 0.00 C ATOM 1269 OE1 GLU A 86 -16.182 2.408 -0.098 1.00 0.00 O ATOM 1270 OE2 GLU A 86 -16.161 1.281 -1.984 1.00 0.00 O ATOM 0 H GLU A 86 -13.453 -0.642 3.129 1.00 0.00 H new ATOM 0 HA GLU A 86 -15.720 -0.212 1.283 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -14.340 1.849 1.408 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -12.901 0.917 1.050 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -13.496 1.895 -1.004 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -14.036 0.234 -1.139 1.00 0.00 H new ATOM 1277 N LYS A 87 -14.945 -2.574 0.716 1.00 0.00 N ATOM 1278 CA LYS A 87 -14.574 -3.822 0.056 1.00 0.00 C ATOM 1279 C LYS A 87 -14.620 -3.662 -1.459 1.00 0.00 C ATOM 1280 O LYS A 87 -15.694 -3.677 -2.061 1.00 0.00 O ATOM 1281 CB LYS A 87 -15.507 -4.952 0.491 1.00 0.00 C ATOM 1282 CG LYS A 87 -14.978 -5.759 1.665 1.00 0.00 C ATOM 1283 CD LYS A 87 -15.509 -5.233 2.988 1.00 0.00 C ATOM 1284 CE LYS A 87 -15.334 -6.253 4.101 1.00 0.00 C ATOM 1285 NZ LYS A 87 -14.538 -5.708 5.236 1.00 0.00 N ATOM 0 H LYS A 87 -15.863 -2.588 1.160 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.555 -4.073 0.349 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -16.476 -4.530 0.758 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.673 -5.621 -0.354 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -15.264 -6.804 1.547 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -13.889 -5.725 1.670 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -14.988 -4.313 3.251 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -16.565 -4.983 2.884 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -16.313 -6.567 4.462 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -14.841 -7.141 3.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -13.570 -6.086 5.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -14.508 -4.670 5.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -14.980 -5.987 6.135 1.00 0.00 H new ATOM 1299 N ILE A 88 -13.450 -3.502 -2.067 1.00 0.00 N ATOM 1300 CA ILE A 88 -13.360 -3.331 -3.513 1.00 0.00 C ATOM 1301 C ILE A 88 -12.099 -3.984 -4.074 1.00 0.00 C ATOM 1302 O ILE A 88 -10.991 -3.696 -3.622 1.00 0.00 O ATOM 1303 CB ILE A 88 -13.364 -1.841 -3.905 1.00 0.00 C ATOM 1304 CG1 ILE A 88 -12.399 -1.053 -3.017 1.00 0.00 C ATOM 1305 CG2 ILE A 88 -14.770 -1.267 -3.805 1.00 0.00 C ATOM 1306 CD1 ILE A 88 -11.707 0.086 -3.732 1.00 0.00 C ATOM 0 H ILE A 88 -12.552 -3.487 -1.583 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.238 -3.818 -3.939 1.00 0.00 H new ATOM 0 HB ILE A 88 -13.030 -1.755 -4.939 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -12.948 -0.655 -2.164 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -11.645 -1.734 -2.622 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -14.754 -0.214 -4.085 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -15.434 -1.811 -4.477 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -15.131 -1.364 -2.781 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -11.039 0.598 -3.039 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -11.130 -0.307 -4.569 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -12.453 0.789 -4.104 1.00 0.00 H new ATOM 1318 N PRO A 89 -12.248 -4.869 -5.076 1.00 0.00 N ATOM 1319 CA PRO A 89 -11.109 -5.550 -5.698 1.00 0.00 C ATOM 1320 C PRO A 89 -10.243 -4.586 -6.500 1.00 0.00 C ATOM 1321 O PRO A 89 -10.738 -3.875 -7.379 1.00 0.00 O ATOM 1322 CB PRO A 89 -11.764 -6.578 -6.621 1.00 0.00 C ATOM 1323 CG PRO A 89 -13.109 -6.014 -6.922 1.00 0.00 C ATOM 1324 CD PRO A 89 -13.530 -5.270 -5.686 1.00 0.00 C ATOM 0 HA PRO A 89 -10.442 -5.995 -4.960 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -11.182 -6.720 -7.531 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -11.842 -7.552 -6.137 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -13.069 -5.348 -7.784 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -13.819 -6.805 -7.163 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -14.148 -4.405 -5.928 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -14.114 -5.901 -5.016 1.00 0.00 H new ATOM 1332 N VAL A 90 -8.951 -4.563 -6.197 1.00 0.00 N ATOM 1333 CA VAL A 90 -8.020 -3.687 -6.894 1.00 0.00 C ATOM 1334 C VAL A 90 -6.661 -4.354 -7.062 1.00 0.00 C ATOM 1335 O VAL A 90 -6.373 -5.371 -6.432 1.00 0.00 O ATOM 1336 CB VAL A 90 -7.830 -2.348 -6.149 1.00 0.00 C ATOM 1337 CG1 VAL A 90 -9.147 -1.594 -6.051 1.00 0.00 C ATOM 1338 CG2 VAL A 90 -7.237 -2.582 -4.769 1.00 0.00 C ATOM 0 H VAL A 90 -8.525 -5.141 -5.473 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.453 -3.488 -7.874 1.00 0.00 H new ATOM 0 HB VAL A 90 -7.132 -1.736 -6.720 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.990 -0.654 -5.522 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.524 -1.388 -7.053 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.873 -2.199 -5.507 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -7.111 -1.626 -4.260 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -7.906 -3.217 -4.188 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.268 -3.071 -4.868 1.00 0.00 H new ATOM 1348 N SER A 91 -5.831 -3.762 -7.909 1.00 0.00 N ATOM 1349 CA SER A 91 -4.497 -4.282 -8.166 1.00 0.00 C ATOM 1350 C SER A 91 -3.470 -3.587 -7.282 1.00 0.00 C ATOM 1351 O SER A 91 -3.346 -2.363 -7.306 1.00 0.00 O ATOM 1352 CB SER A 91 -4.125 -4.097 -9.638 1.00 0.00 C ATOM 1353 OG SER A 91 -4.371 -2.768 -10.064 1.00 0.00 O ATOM 0 H SER A 91 -6.060 -2.917 -8.432 1.00 0.00 H new ATOM 0 HA SER A 91 -4.498 -5.347 -7.932 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.072 -4.340 -9.783 1.00 0.00 H new ATOM 0 HB3 SER A 91 -4.700 -4.791 -10.251 1.00 0.00 H new ATOM 0 HG SER A 91 -4.078 -2.142 -9.369 1.00 0.00 H new ATOM 1359 N VAL A 92 -2.727 -4.373 -6.509 1.00 0.00 N ATOM 1360 CA VAL A 92 -1.706 -3.823 -5.632 1.00 0.00 C ATOM 1361 C VAL A 92 -0.335 -4.362 -6.007 1.00 0.00 C ATOM 1362 O VAL A 92 -0.158 -5.567 -6.186 1.00 0.00 O ATOM 1363 CB VAL A 92 -1.987 -4.146 -4.154 1.00 0.00 C ATOM 1364 CG1 VAL A 92 -0.838 -3.664 -3.278 1.00 0.00 C ATOM 1365 CG2 VAL A 92 -3.303 -3.525 -3.712 1.00 0.00 C ATOM 0 H VAL A 92 -2.814 -5.389 -6.474 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.726 -2.741 -5.759 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.070 -5.227 -4.044 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.052 -3.900 -2.235 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.084 -4.161 -3.581 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.723 -2.586 -3.390 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.484 -3.764 -2.664 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.254 -2.443 -3.834 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.115 -3.922 -4.321 1.00 0.00 H new ATOM 1375 N TRP A 93 0.635 -3.466 -6.123 1.00 0.00 N ATOM 1376 CA TRP A 93 1.986 -3.868 -6.479 1.00 0.00 C ATOM 1377 C TRP A 93 3.022 -3.191 -5.592 1.00 0.00 C ATOM 1378 O TRP A 93 3.251 -1.986 -5.689 1.00 0.00 O ATOM 1379 CB TRP A 93 2.289 -3.579 -7.957 1.00 0.00 C ATOM 1380 CG TRP A 93 1.286 -2.693 -8.645 1.00 0.00 C ATOM 1381 CD1 TRP A 93 -0.033 -2.963 -8.881 1.00 0.00 C ATOM 1382 CD2 TRP A 93 1.537 -1.401 -9.211 1.00 0.00 C ATOM 1383 NE1 TRP A 93 -0.620 -1.913 -9.543 1.00 0.00 N ATOM 1384 CE2 TRP A 93 0.324 -0.943 -9.761 1.00 0.00 C ATOM 1385 CE3 TRP A 93 2.666 -0.585 -9.303 1.00 0.00 C ATOM 1386 CZ2 TRP A 93 0.211 0.293 -10.393 1.00 0.00 C ATOM 1387 CZ3 TRP A 93 2.554 0.642 -9.931 1.00 0.00 C ATOM 1388 CH2 TRP A 93 1.335 1.071 -10.468 1.00 0.00 C ATOM 0 H TRP A 93 0.512 -2.464 -5.977 1.00 0.00 H new ATOM 0 HA TRP A 93 2.047 -4.945 -6.320 1.00 0.00 H new ATOM 0 HB2 TRP A 93 3.272 -3.114 -8.028 1.00 0.00 H new ATOM 0 HB3 TRP A 93 2.345 -4.526 -8.494 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -0.540 -3.871 -8.589 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -1.599 -1.863 -9.826 1.00 0.00 H new ATOM 0 HE3 TRP A 93 3.611 -0.907 -8.891 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -0.729 0.625 -10.809 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 3.422 1.280 -10.008 1.00 0.00 H new ATOM 0 HH2 TRP A 93 1.280 2.035 -10.951 1.00 0.00 H new ATOM 1399 N MET A 94 3.655 -3.988 -4.737 1.00 0.00 N ATOM 1400 CA MET A 94 4.682 -3.488 -3.834 1.00 0.00 C ATOM 1401 C MET A 94 6.062 -3.776 -4.413 1.00 0.00 C ATOM 1402 O MET A 94 6.271 -4.814 -5.041 1.00 0.00 O ATOM 1403 CB MET A 94 4.543 -4.136 -2.457 1.00 0.00 C ATOM 1404 CG MET A 94 4.930 -3.217 -1.313 1.00 0.00 C ATOM 1405 SD MET A 94 4.661 -3.965 0.306 1.00 0.00 S ATOM 1406 CE MET A 94 4.359 -2.510 1.304 1.00 0.00 C ATOM 0 H MET A 94 3.472 -4.988 -4.652 1.00 0.00 H new ATOM 0 HA MET A 94 4.559 -2.411 -3.722 1.00 0.00 H new ATOM 0 HB2 MET A 94 3.511 -4.460 -2.319 1.00 0.00 H new ATOM 0 HB3 MET A 94 5.165 -5.030 -2.421 1.00 0.00 H new ATOM 0 HG2 MET A 94 5.981 -2.944 -1.412 1.00 0.00 H new ATOM 0 HG3 MET A 94 4.353 -2.295 -1.383 1.00 0.00 H new ATOM 0 HE1 MET A 94 3.620 -2.742 2.071 1.00 0.00 H new ATOM 0 HE2 MET A 94 5.288 -2.195 1.778 1.00 0.00 H new ATOM 0 HE3 MET A 94 3.984 -1.706 0.671 1.00 0.00 H new ATOM 1416 N LYS A 95 6.997 -2.854 -4.217 1.00 0.00 N ATOM 1417 CA LYS A 95 8.344 -3.033 -4.746 1.00 0.00 C ATOM 1418 C LYS A 95 9.368 -2.175 -4.011 1.00 0.00 C ATOM 1419 O LYS A 95 9.232 -0.955 -3.926 1.00 0.00 O ATOM 1420 CB LYS A 95 8.369 -2.703 -6.240 1.00 0.00 C ATOM 1421 CG LYS A 95 7.620 -1.428 -6.589 1.00 0.00 C ATOM 1422 CD LYS A 95 6.327 -1.726 -7.332 1.00 0.00 C ATOM 1423 CE LYS A 95 6.104 -0.746 -8.471 1.00 0.00 C ATOM 1424 NZ LYS A 95 5.708 0.601 -7.977 1.00 0.00 N ATOM 0 H LYS A 95 6.851 -1.985 -3.703 1.00 0.00 H new ATOM 0 HA LYS A 95 8.617 -4.077 -4.594 1.00 0.00 H new ATOM 0 HB2 LYS A 95 9.405 -2.608 -6.566 1.00 0.00 H new ATOM 0 HB3 LYS A 95 7.935 -3.534 -6.795 1.00 0.00 H new ATOM 0 HG2 LYS A 95 7.397 -0.875 -5.677 1.00 0.00 H new ATOM 0 HG3 LYS A 95 8.254 -0.789 -7.203 1.00 0.00 H new ATOM 0 HD2 LYS A 95 6.357 -2.742 -7.725 1.00 0.00 H new ATOM 0 HD3 LYS A 95 5.488 -1.677 -6.638 1.00 0.00 H new ATOM 0 HE2 LYS A 95 7.017 -0.662 -9.061 1.00 0.00 H new ATOM 0 HE3 LYS A 95 5.330 -1.131 -9.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 4.699 0.759 -8.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 5.877 0.658 -6.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 6.272 1.328 -8.462 1.00 0.00 H new ATOM 1438 N ARG A 96 10.400 -2.832 -3.493 1.00 0.00 N ATOM 1439 CA ARG A 96 11.471 -2.161 -2.772 1.00 0.00 C ATOM 1440 C ARG A 96 12.222 -1.192 -3.683 1.00 0.00 C ATOM 1441 O ARG A 96 12.672 -1.563 -4.768 1.00 0.00 O ATOM 1442 CB ARG A 96 12.441 -3.198 -2.201 1.00 0.00 C ATOM 1443 CG ARG A 96 12.874 -4.251 -3.208 1.00 0.00 C ATOM 1444 CD ARG A 96 12.817 -5.648 -2.612 1.00 0.00 C ATOM 1445 NE ARG A 96 11.945 -6.535 -3.378 1.00 0.00 N ATOM 1446 CZ ARG A 96 11.054 -7.353 -2.824 1.00 0.00 C ATOM 1447 NH1 ARG A 96 10.914 -7.393 -1.504 1.00 0.00 N ATOM 1448 NH2 ARG A 96 10.300 -8.132 -3.588 1.00 0.00 N ATOM 0 H ARG A 96 10.516 -3.843 -3.562 1.00 0.00 H new ATOM 0 HA ARG A 96 11.029 -1.589 -1.956 1.00 0.00 H new ATOM 0 HB2 ARG A 96 13.325 -2.685 -1.822 1.00 0.00 H new ATOM 0 HB3 ARG A 96 11.971 -3.693 -1.351 1.00 0.00 H new ATOM 0 HG2 ARG A 96 12.230 -4.202 -4.086 1.00 0.00 H new ATOM 0 HG3 ARG A 96 13.889 -4.039 -3.544 1.00 0.00 H new ATOM 0 HD2 ARG A 96 13.822 -6.069 -2.578 1.00 0.00 H new ATOM 0 HD3 ARG A 96 12.461 -5.589 -1.584 1.00 0.00 H new ATOM 0 HE ARG A 96 12.024 -6.527 -4.395 1.00 0.00 H new ATOM 0 HH11 ARG A 96 11.491 -6.795 -0.912 1.00 0.00 H new ATOM 0 HH12 ARG A 96 10.230 -8.021 -1.083 1.00 0.00 H new ATOM 0 HH21 ARG A 96 10.403 -8.105 -4.602 1.00 0.00 H new ATOM 0 HH22 ARG A 96 9.618 -8.758 -3.161 1.00 0.00 H new ATOM 1462 N MET A 97 12.354 0.046 -3.225 1.00 0.00 N ATOM 1463 CA MET A 97 13.052 1.077 -3.984 1.00 0.00 C ATOM 1464 C MET A 97 13.499 2.208 -3.065 1.00 0.00 C ATOM 1465 O MET A 97 12.959 2.378 -1.976 1.00 0.00 O ATOM 1466 CB MET A 97 12.160 1.616 -5.103 1.00 0.00 C ATOM 1467 CG MET A 97 11.466 2.926 -4.765 1.00 0.00 C ATOM 1468 SD MET A 97 10.614 3.648 -6.182 1.00 0.00 S ATOM 1469 CE MET A 97 9.465 2.338 -6.593 1.00 0.00 C ATOM 0 H MET A 97 11.985 0.362 -2.328 1.00 0.00 H new ATOM 0 HA MET A 97 13.938 0.631 -4.435 1.00 0.00 H new ATOM 0 HB2 MET A 97 12.764 1.758 -5.999 1.00 0.00 H new ATOM 0 HB3 MET A 97 11.404 0.868 -5.343 1.00 0.00 H new ATOM 0 HG2 MET A 97 10.748 2.756 -3.963 1.00 0.00 H new ATOM 0 HG3 MET A 97 12.202 3.636 -4.388 1.00 0.00 H new ATOM 0 HE1 MET A 97 8.622 2.753 -7.145 1.00 0.00 H new ATOM 0 HE2 MET A 97 9.969 1.592 -7.208 1.00 0.00 H new ATOM 0 HE3 MET A 97 9.104 1.870 -5.677 1.00 0.00 H new ATOM 1479 N ARG A 98 14.487 2.975 -3.504 1.00 0.00 N ATOM 1480 CA ARG A 98 15.005 4.077 -2.711 1.00 0.00 C ATOM 1481 C ARG A 98 14.213 5.357 -2.959 1.00 0.00 C ATOM 1482 O ARG A 98 13.530 5.493 -3.974 1.00 0.00 O ATOM 1483 CB ARG A 98 16.481 4.305 -3.034 1.00 0.00 C ATOM 1484 CG ARG A 98 17.400 3.221 -2.492 1.00 0.00 C ATOM 1485 CD ARG A 98 17.154 1.879 -3.165 1.00 0.00 C ATOM 1486 NE ARG A 98 17.717 1.830 -4.511 1.00 0.00 N ATOM 1487 CZ ARG A 98 18.977 1.495 -4.772 1.00 0.00 C ATOM 1488 NH1 ARG A 98 19.803 1.183 -3.781 1.00 0.00 N ATOM 1489 NH2 ARG A 98 19.413 1.471 -6.023 1.00 0.00 N ATOM 0 H ARG A 98 14.946 2.853 -4.407 1.00 0.00 H new ATOM 0 HA ARG A 98 14.902 3.814 -1.658 1.00 0.00 H new ATOM 0 HB2 ARG A 98 16.602 4.364 -4.116 1.00 0.00 H new ATOM 0 HB3 ARG A 98 16.789 5.268 -2.626 1.00 0.00 H new ATOM 0 HG2 ARG A 98 18.438 3.517 -2.642 1.00 0.00 H new ATOM 0 HG3 ARG A 98 17.249 3.121 -1.417 1.00 0.00 H new ATOM 0 HD2 ARG A 98 17.591 1.085 -2.560 1.00 0.00 H new ATOM 0 HD3 ARG A 98 16.082 1.689 -3.214 1.00 0.00 H new ATOM 0 HE ARG A 98 17.109 2.066 -5.296 1.00 0.00 H new ATOM 0 HH11 ARG A 98 19.472 1.200 -2.816 1.00 0.00 H new ATOM 0 HH12 ARG A 98 20.769 0.926 -3.984 1.00 0.00 H new ATOM 0 HH21 ARG A 98 18.782 1.710 -6.788 1.00 0.00 H new ATOM 0 HH22 ARG A 98 20.380 1.214 -6.221 1.00 0.00 H new ATOM 1503 N GLN A 99 14.315 6.290 -2.019 1.00 0.00 N ATOM 1504 CA GLN A 99 13.618 7.566 -2.121 1.00 0.00 C ATOM 1505 C GLN A 99 14.315 8.625 -1.273 1.00 0.00 C ATOM 1506 O GLN A 99 14.195 9.824 -1.532 1.00 0.00 O ATOM 1507 CB GLN A 99 12.162 7.413 -1.676 1.00 0.00 C ATOM 1508 CG GLN A 99 11.303 8.638 -1.950 1.00 0.00 C ATOM 1509 CD GLN A 99 10.212 8.369 -2.968 1.00 0.00 C ATOM 1510 OE1 GLN A 99 8.972 8.279 -2.499 1.00 0.00 O flip ATOM 1511 NE2 GLN A 99 10.478 8.245 -4.163 1.00 0.00 N flip ATOM 0 H GLN A 99 14.877 6.185 -1.174 1.00 0.00 H new ATOM 0 HA GLN A 99 13.637 7.886 -3.163 1.00 0.00 H new ATOM 0 HB2 GLN A 99 11.725 6.554 -2.185 1.00 0.00 H new ATOM 0 HB3 GLN A 99 12.139 7.197 -0.608 1.00 0.00 H new ATOM 0 HG2 GLN A 99 10.850 8.975 -1.018 1.00 0.00 H new ATOM 0 HG3 GLN A 99 11.937 9.449 -2.308 1.00 0.00 H new ATOM 0 HE21 GLN A 99 11.444 8.321 -4.481 1.00 0.00 H new ATOM 0 HE22 GLN A 99 9.732 8.066 -4.836 1.00 0.00 H new ATOM 1520 N GLU A 100 15.050 8.170 -0.260 1.00 0.00 N ATOM 1521 CA GLU A 100 15.776 9.071 0.630 1.00 0.00 C ATOM 1522 C GLU A 100 17.186 8.551 0.885 1.00 0.00 C ATOM 1523 O GLU A 100 18.156 9.045 0.312 1.00 0.00 O ATOM 1524 CB GLU A 100 15.033 9.236 1.960 1.00 0.00 C ATOM 1525 CG GLU A 100 13.684 8.533 2.007 1.00 0.00 C ATOM 1526 CD GLU A 100 12.521 9.500 1.896 1.00 0.00 C ATOM 1527 OE1 GLU A 100 12.465 10.250 0.901 1.00 0.00 O ATOM 1528 OE2 GLU A 100 11.667 9.507 2.809 1.00 0.00 O ATOM 0 H GLU A 100 15.158 7.181 -0.036 1.00 0.00 H new ATOM 0 HA GLU A 100 15.841 10.044 0.143 1.00 0.00 H new ATOM 0 HB2 GLU A 100 15.660 8.851 2.765 1.00 0.00 H new ATOM 0 HB3 GLU A 100 14.884 10.299 2.152 1.00 0.00 H new ATOM 0 HG2 GLU A 100 13.628 7.807 1.196 1.00 0.00 H new ATOM 0 HG3 GLU A 100 13.601 7.975 2.940 1.00 0.00 H new ATOM 1535 N ARG A 101 17.286 7.545 1.744 1.00 0.00 N ATOM 1536 CA ARG A 101 18.568 6.941 2.080 1.00 0.00 C ATOM 1537 C ARG A 101 18.361 5.537 2.630 1.00 0.00 C ATOM 1538 O ARG A 101 19.310 4.876 3.054 1.00 0.00 O ATOM 1539 CB ARG A 101 19.314 7.801 3.102 1.00 0.00 C ATOM 1540 CG ARG A 101 18.441 8.274 4.254 1.00 0.00 C ATOM 1541 CD ARG A 101 19.278 8.671 5.461 1.00 0.00 C ATOM 1542 NE ARG A 101 18.580 8.416 6.717 1.00 0.00 N ATOM 1543 CZ ARG A 101 18.051 9.372 7.477 1.00 0.00 C ATOM 1544 NH1 ARG A 101 18.137 10.643 7.105 1.00 0.00 N ATOM 1545 NH2 ARG A 101 17.432 9.059 8.606 1.00 0.00 N ATOM 0 H ARG A 101 16.488 7.128 2.224 1.00 0.00 H new ATOM 0 HA ARG A 101 19.169 6.879 1.173 1.00 0.00 H new ATOM 0 HB2 ARG A 101 20.151 7.230 3.503 1.00 0.00 H new ATOM 0 HB3 ARG A 101 19.734 8.670 2.595 1.00 0.00 H new ATOM 0 HG2 ARG A 101 17.840 9.124 3.931 1.00 0.00 H new ATOM 0 HG3 ARG A 101 17.747 7.482 4.536 1.00 0.00 H new ATOM 0 HD2 ARG A 101 20.217 8.118 5.449 1.00 0.00 H new ATOM 0 HD3 ARG A 101 19.531 9.729 5.395 1.00 0.00 H new ATOM 0 HE ARG A 101 18.493 7.449 7.031 1.00 0.00 H new ATOM 0 HH11 ARG A 101 18.609 10.889 6.235 1.00 0.00 H new ATOM 0 HH12 ARG A 101 17.731 11.374 7.689 1.00 0.00 H new ATOM 0 HH21 ARG A 101 17.360 8.083 8.895 1.00 0.00 H new ATOM 0 HH22 ARG A 101 17.028 9.794 9.186 1.00 0.00 H new ATOM 1559 N ARG A 102 17.110 5.092 2.615 1.00 0.00 N ATOM 1560 CA ARG A 102 16.758 3.765 3.113 1.00 0.00 C ATOM 1561 C ARG A 102 15.781 3.075 2.162 1.00 0.00 C ATOM 1562 O ARG A 102 14.854 3.704 1.651 1.00 0.00 O ATOM 1563 CB ARG A 102 16.153 3.874 4.519 1.00 0.00 C ATOM 1564 CG ARG A 102 15.156 2.774 4.865 1.00 0.00 C ATOM 1565 CD ARG A 102 13.816 3.350 5.293 1.00 0.00 C ATOM 1566 NE ARG A 102 13.938 4.211 6.466 1.00 0.00 N ATOM 1567 CZ ARG A 102 13.505 3.875 7.678 1.00 0.00 C ATOM 1568 NH1 ARG A 102 12.924 2.699 7.878 1.00 0.00 N ATOM 1569 NH2 ARG A 102 13.652 4.717 8.692 1.00 0.00 N ATOM 0 H ARG A 102 16.319 5.632 2.263 1.00 0.00 H new ATOM 0 HA ARG A 102 17.664 3.161 3.167 1.00 0.00 H new ATOM 0 HB2 ARG A 102 16.961 3.858 5.251 1.00 0.00 H new ATOM 0 HB3 ARG A 102 15.657 4.840 4.613 1.00 0.00 H new ATOM 0 HG2 ARG A 102 15.015 2.125 4.001 1.00 0.00 H new ATOM 0 HG3 ARG A 102 15.560 2.155 5.666 1.00 0.00 H new ATOM 0 HD2 ARG A 102 13.387 3.920 4.469 1.00 0.00 H new ATOM 0 HD3 ARG A 102 13.125 2.536 5.512 1.00 0.00 H new ATOM 0 HE ARG A 102 14.381 5.122 6.349 1.00 0.00 H new ATOM 0 HH11 ARG A 102 12.808 2.049 7.101 1.00 0.00 H new ATOM 0 HH12 ARG A 102 12.593 2.445 8.809 1.00 0.00 H new ATOM 0 HH21 ARG A 102 14.097 5.622 8.543 1.00 0.00 H new ATOM 0 HH22 ARG A 102 13.320 4.459 9.621 1.00 0.00 H new ATOM 1583 N LEU A 103 15.995 1.780 1.933 1.00 0.00 N ATOM 1584 CA LEU A 103 15.129 1.007 1.047 1.00 0.00 C ATOM 1585 C LEU A 103 13.672 1.153 1.473 1.00 0.00 C ATOM 1586 O LEU A 103 13.271 0.664 2.530 1.00 0.00 O ATOM 1587 CB LEU A 103 15.536 -0.472 1.055 1.00 0.00 C ATOM 1588 CG LEU A 103 14.819 -1.367 0.034 1.00 0.00 C ATOM 1589 CD1 LEU A 103 13.467 -1.809 0.571 1.00 0.00 C ATOM 1590 CD2 LEU A 103 14.659 -0.653 -1.301 1.00 0.00 C ATOM 0 H LEU A 103 16.759 1.246 2.348 1.00 0.00 H new ATOM 0 HA LEU A 103 15.239 1.393 0.033 1.00 0.00 H new ATOM 0 HB2 LEU A 103 16.609 -0.535 0.875 1.00 0.00 H new ATOM 0 HB3 LEU A 103 15.356 -0.874 2.052 1.00 0.00 H new ATOM 0 HG LEU A 103 15.433 -2.253 -0.130 1.00 0.00 H new ATOM 0 HD11 LEU A 103 12.972 -2.443 -0.165 1.00 0.00 H new ATOM 0 HD12 LEU A 103 13.608 -2.369 1.495 1.00 0.00 H new ATOM 0 HD13 LEU A 103 12.850 -0.933 0.769 1.00 0.00 H new ATOM 0 HD21 LEU A 103 14.148 -1.309 -2.006 1.00 0.00 H new ATOM 0 HD22 LEU A 103 14.072 0.255 -1.160 1.00 0.00 H new ATOM 0 HD23 LEU A 103 15.642 -0.393 -1.694 1.00 0.00 H new ATOM 1602 N CYS A 104 12.890 1.844 0.653 1.00 0.00 N ATOM 1603 CA CYS A 104 11.484 2.072 0.953 1.00 0.00 C ATOM 1604 C CYS A 104 10.559 1.296 0.012 1.00 0.00 C ATOM 1605 O CYS A 104 10.718 1.326 -1.209 1.00 0.00 O ATOM 1606 CB CYS A 104 11.171 3.571 0.887 1.00 0.00 C ATOM 1607 SG CYS A 104 10.948 4.213 -0.788 1.00 0.00 S ATOM 0 H CYS A 104 13.207 2.256 -0.225 1.00 0.00 H new ATOM 0 HA CYS A 104 11.300 1.705 1.963 1.00 0.00 H new ATOM 0 HB2 CYS A 104 10.266 3.767 1.462 1.00 0.00 H new ATOM 0 HB3 CYS A 104 11.980 4.120 1.369 1.00 0.00 H new ATOM 0 HG CYS A 104 11.782 3.624 -1.593 1.00 0.00 H new ATOM 1613 N CYS A 105 9.582 0.614 0.603 1.00 0.00 N ATOM 1614 CA CYS A 105 8.601 -0.164 -0.148 1.00 0.00 C ATOM 1615 C CYS A 105 7.508 0.752 -0.696 1.00 0.00 C ATOM 1616 O CYS A 105 6.974 1.589 0.032 1.00 0.00 O ATOM 1617 CB CYS A 105 7.979 -1.221 0.767 1.00 0.00 C ATOM 1618 SG CYS A 105 7.917 -2.879 0.049 1.00 0.00 S ATOM 0 H CYS A 105 9.448 0.585 1.614 1.00 0.00 H new ATOM 0 HA CYS A 105 9.100 -0.654 -0.984 1.00 0.00 H new ATOM 0 HB2 CYS A 105 8.547 -1.261 1.696 1.00 0.00 H new ATOM 0 HB3 CYS A 105 6.966 -0.911 1.026 1.00 0.00 H new ATOM 0 HG CYS A 105 6.757 -3.414 0.291 1.00 0.00 H new ATOM 1624 N VAL A 106 7.173 0.596 -1.974 1.00 0.00 N ATOM 1625 CA VAL A 106 6.141 1.420 -2.599 1.00 0.00 C ATOM 1626 C VAL A 106 4.939 0.579 -3.022 1.00 0.00 C ATOM 1627 O VAL A 106 5.095 -0.514 -3.566 1.00 0.00 O ATOM 1628 CB VAL A 106 6.687 2.178 -3.825 1.00 0.00 C ATOM 1629 CG1 VAL A 106 5.565 2.884 -4.574 1.00 0.00 C ATOM 1630 CG2 VAL A 106 7.757 3.174 -3.398 1.00 0.00 C ATOM 0 H VAL A 106 7.599 -0.091 -2.596 1.00 0.00 H new ATOM 0 HA VAL A 106 5.823 2.145 -1.849 1.00 0.00 H new ATOM 0 HB VAL A 106 7.138 1.452 -4.502 1.00 0.00 H new ATOM 0 HG11 VAL A 106 5.977 3.411 -5.434 1.00 0.00 H new ATOM 0 HG12 VAL A 106 4.836 2.149 -4.914 1.00 0.00 H new ATOM 0 HG13 VAL A 106 5.078 3.598 -3.910 1.00 0.00 H new ATOM 0 HG21 VAL A 106 8.133 3.702 -4.274 1.00 0.00 H new ATOM 0 HG22 VAL A 106 7.328 3.892 -2.699 1.00 0.00 H new ATOM 0 HG23 VAL A 106 8.577 2.642 -2.915 1.00 0.00 H new ATOM 1640 N VAL A 107 3.739 1.101 -2.773 1.00 0.00 N ATOM 1641 CA VAL A 107 2.504 0.407 -3.130 1.00 0.00 C ATOM 1642 C VAL A 107 1.601 1.317 -3.958 1.00 0.00 C ATOM 1643 O VAL A 107 1.438 2.496 -3.644 1.00 0.00 O ATOM 1644 CB VAL A 107 1.747 -0.068 -1.864 1.00 0.00 C ATOM 1645 CG1 VAL A 107 0.254 0.218 -1.958 1.00 0.00 C ATOM 1646 CG2 VAL A 107 1.990 -1.550 -1.625 1.00 0.00 C ATOM 0 H VAL A 107 3.596 2.006 -2.324 1.00 0.00 H new ATOM 0 HA VAL A 107 2.772 -0.467 -3.723 1.00 0.00 H new ATOM 0 HB VAL A 107 2.137 0.496 -1.017 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -0.241 -0.130 -1.051 1.00 0.00 H new ATOM 0 HG12 VAL A 107 0.095 1.291 -2.069 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -0.162 -0.302 -2.821 1.00 0.00 H new ATOM 0 HG21 VAL A 107 1.451 -1.868 -0.732 1.00 0.00 H new ATOM 0 HG22 VAL A 107 1.636 -2.120 -2.484 1.00 0.00 H new ATOM 0 HG23 VAL A 107 3.057 -1.726 -1.487 1.00 0.00 H new ATOM 1656 N VAL A 108 1.010 0.764 -5.015 1.00 0.00 N ATOM 1657 CA VAL A 108 0.122 1.535 -5.876 1.00 0.00 C ATOM 1658 C VAL A 108 -1.192 0.795 -6.115 1.00 0.00 C ATOM 1659 O VAL A 108 -1.211 -0.276 -6.723 1.00 0.00 O ATOM 1660 CB VAL A 108 0.780 1.861 -7.231 1.00 0.00 C ATOM 1661 CG1 VAL A 108 -0.008 2.941 -7.955 1.00 0.00 C ATOM 1662 CG2 VAL A 108 2.226 2.290 -7.035 1.00 0.00 C ATOM 0 H VAL A 108 1.130 -0.210 -5.293 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.083 2.471 -5.357 1.00 0.00 H new ATOM 0 HB VAL A 108 0.774 0.960 -7.845 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.469 3.161 -8.910 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.026 2.593 -8.129 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.032 3.844 -7.345 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.673 2.516 -8.003 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.260 3.178 -6.404 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.783 1.484 -6.557 1.00 0.00 H new ATOM 1672 N LEU A 109 -2.283 1.371 -5.620 1.00 0.00 N ATOM 1673 CA LEU A 109 -3.603 0.773 -5.757 1.00 0.00 C ATOM 1674 C LEU A 109 -4.320 1.275 -7.006 1.00 0.00 C ATOM 1675 O LEU A 109 -4.435 2.479 -7.227 1.00 0.00 O ATOM 1676 CB LEU A 109 -4.426 1.090 -4.513 1.00 0.00 C ATOM 1677 CG LEU A 109 -3.592 1.250 -3.244 1.00 0.00 C ATOM 1678 CD1 LEU A 109 -4.286 2.163 -2.250 1.00 0.00 C ATOM 1679 CD2 LEU A 109 -3.307 -0.111 -2.631 1.00 0.00 C ATOM 0 H LEU A 109 -2.276 2.258 -5.117 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.486 -0.306 -5.861 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -4.988 2.008 -4.685 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -5.155 0.294 -4.359 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.642 1.714 -3.509 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.672 2.260 -1.355 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -4.432 3.146 -2.699 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -5.254 1.740 -1.981 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.712 0.015 -1.727 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -4.248 -0.602 -2.381 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.757 -0.724 -3.345 1.00 0.00 H new ATOM 1691 N GLU A 110 -4.806 0.338 -7.813 1.00 0.00 N ATOM 1692 CA GLU A 110 -5.519 0.679 -9.039 1.00 0.00 C ATOM 1693 C GLU A 110 -6.822 -0.109 -9.135 1.00 0.00 C ATOM 1694 O GLU A 110 -6.808 -1.338 -9.187 1.00 0.00 O ATOM 1695 CB GLU A 110 -4.645 0.392 -10.261 1.00 0.00 C ATOM 1696 CG GLU A 110 -4.487 1.584 -11.189 1.00 0.00 C ATOM 1697 CD GLU A 110 -3.087 2.165 -11.156 1.00 0.00 C ATOM 1698 OE1 GLU A 110 -2.516 2.276 -10.051 1.00 0.00 O ATOM 1699 OE2 GLU A 110 -2.560 2.510 -12.235 1.00 0.00 O ATOM 0 H GLU A 110 -4.719 -0.664 -7.640 1.00 0.00 H new ATOM 0 HA GLU A 110 -5.753 1.743 -9.015 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -3.659 0.071 -9.925 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -5.077 -0.438 -10.820 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -4.727 1.281 -12.208 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -5.204 2.356 -10.909 1.00 0.00 H new ATOM 1706 N PRO A 111 -7.971 0.588 -9.157 1.00 0.00 N ATOM 1707 CA PRO A 111 -9.281 -0.062 -9.243 1.00 0.00 C ATOM 1708 C PRO A 111 -9.401 -0.942 -10.483 1.00 0.00 C ATOM 1709 O PRO A 111 -9.063 -0.521 -11.589 1.00 0.00 O ATOM 1710 CB PRO A 111 -10.275 1.104 -9.312 1.00 0.00 C ATOM 1711 CG PRO A 111 -9.459 2.307 -9.649 1.00 0.00 C ATOM 1712 CD PRO A 111 -8.085 2.052 -9.102 1.00 0.00 C ATOM 0 HA PRO A 111 -9.458 -0.726 -8.397 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -11.039 0.924 -10.069 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -10.792 1.235 -8.362 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -9.425 2.464 -10.727 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -9.892 3.206 -9.209 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -7.316 2.539 -9.701 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -7.981 2.427 -8.084 1.00 0.00 H new ATOM 1720 N VAL A 112 -9.878 -2.170 -10.293 1.00 0.00 N ATOM 1721 CA VAL A 112 -10.034 -3.106 -11.400 1.00 0.00 C ATOM 1722 C VAL A 112 -11.134 -2.656 -12.356 1.00 0.00 C ATOM 1723 O VAL A 112 -12.043 -1.921 -11.970 1.00 0.00 O ATOM 1724 CB VAL A 112 -10.355 -4.527 -10.898 1.00 0.00 C ATOM 1725 CG1 VAL A 112 -9.267 -5.019 -9.956 1.00 0.00 C ATOM 1726 CG2 VAL A 112 -11.717 -4.564 -10.219 1.00 0.00 C ATOM 0 H VAL A 112 -10.162 -2.538 -9.385 1.00 0.00 H new ATOM 0 HA VAL A 112 -9.082 -3.123 -11.930 1.00 0.00 H new ATOM 0 HB VAL A 112 -10.389 -5.195 -11.758 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -9.511 -6.024 -9.612 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -8.312 -5.037 -10.481 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -9.197 -4.349 -9.099 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -11.923 -5.577 -9.872 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -11.718 -3.882 -9.369 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -12.486 -4.260 -10.929 1.00 0.00 H new