USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 656 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 Single : A 543 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 545 CYS SG : rot -122:sc= -1.81 USER MOD Single : A 547 HIS : no HE2:sc= -7.41! K(o=-7.4!,f=-3.8) USER MOD Single : A 549 THR OG1 : rot 180:sc= 0 USER MOD Single : A 550 ASN : amide:sc= -0.718 K(o=-0.72,f=-3.7!) USER MOD Single : A 554 SER OG : rot 180:sc= 0 USER MOD Single : A 556 THR OG1 : rot 180:sc= 0 USER MOD Single : A 557 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 558 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 562 GLN : amide:sc= -0.384 X(o=-0.38,f=-0.078) USER MOD Single : A 572 ASN : amide:sc= -0.0575 X(o=-0.057,f=0) USER MOD Single : A 575 HIS : no HD1:sc= -0.206 X(o=-0.21,f=-0.002) USER MOD Single : A 587 GLN : amide:sc= -0.65 K(o=-0.65,f=-3.4!) USER MOD Single : A 591 GLN : amide:sc= -1.63 K(o=-1.6,f=-4.7!) USER MOD Single : A 593 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00743) USER MOD Single : A 594 ASN : amide:sc=-0.00119 K(o=-0.0012,f=-0.6) USER MOD Single : A 600 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 601 SER OG : rot -52:sc= 0.729 USER MOD Single : A 605 HIS : no HD1:sc= -1.78! C(o=-1.8!,f=-6.2!) USER MOD Single : A 607 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 608 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 610 ASN : amide:sc= -1.32 K(o=-1.3,f=-0.66!) USER MOD Single : A 617 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 620 THR OG1 : rot 180:sc=0.000571 USER MOD Single : A 624 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 629 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 141 N ALA A 542 4.509 15.057 -1.953 1.00 0.00 N ATOM 142 CA ALA A 542 5.003 14.062 -2.896 1.00 0.00 C ATOM 143 C ALA A 542 4.446 12.679 -2.576 1.00 0.00 C ATOM 144 O ALA A 542 4.231 12.337 -1.413 1.00 0.00 O ATOM 145 CB ALA A 542 6.525 14.034 -2.885 1.00 0.00 C ATOM 0 HA ALA A 542 4.662 14.342 -3.893 1.00 0.00 H new ATOM 0 HB1 ALA A 542 6.880 13.286 -3.594 1.00 0.00 H new ATOM 0 HB2 ALA A 542 6.909 15.014 -3.168 1.00 0.00 H new ATOM 0 HB3 ALA A 542 6.877 13.782 -1.885 1.00 0.00 H new ATOM 151 N LYS A 543 4.211 11.886 -3.616 1.00 0.00 N ATOM 152 CA LYS A 543 3.678 10.539 -3.448 1.00 0.00 C ATOM 153 C LYS A 543 4.793 9.550 -3.123 1.00 0.00 C ATOM 154 O LYS A 543 5.502 9.083 -4.014 1.00 0.00 O ATOM 155 CB LYS A 543 2.943 10.098 -4.715 1.00 0.00 C ATOM 156 CG LYS A 543 1.509 10.593 -4.791 1.00 0.00 C ATOM 157 CD LYS A 543 1.050 10.754 -6.231 1.00 0.00 C ATOM 158 CE LYS A 543 -0.334 11.380 -6.308 1.00 0.00 C ATOM 159 NZ LYS A 543 -0.592 11.992 -7.641 1.00 0.00 N ATOM 0 H LYS A 543 4.382 12.153 -4.585 1.00 0.00 H new ATOM 0 HA LYS A 543 2.975 10.554 -2.615 1.00 0.00 H new ATOM 0 HB2 LYS A 543 3.490 10.459 -5.586 1.00 0.00 H new ATOM 0 HB3 LYS A 543 2.946 9.009 -4.766 1.00 0.00 H new ATOM 0 HG2 LYS A 543 0.853 9.891 -4.275 1.00 0.00 H new ATOM 0 HG3 LYS A 543 1.425 11.548 -4.272 1.00 0.00 H new ATOM 0 HD2 LYS A 543 1.762 11.375 -6.774 1.00 0.00 H new ATOM 0 HD3 LYS A 543 1.038 9.781 -6.721 1.00 0.00 H new ATOM 0 HE2 LYS A 543 -1.088 10.620 -6.105 1.00 0.00 H new ATOM 0 HE3 LYS A 543 -0.432 12.141 -5.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 543 -1.545 12.408 -7.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 543 0.112 12.735 -7.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 543 -0.524 11.261 -8.378 1.00 0.00 H new ATOM 173 N VAL A 544 4.940 9.232 -1.841 1.00 0.00 N ATOM 174 CA VAL A 544 5.965 8.295 -1.397 1.00 0.00 C ATOM 175 C VAL A 544 5.355 7.142 -0.610 1.00 0.00 C ATOM 176 O VAL A 544 6.055 6.427 0.108 1.00 0.00 O ATOM 177 CB VAL A 544 7.024 8.995 -0.524 1.00 0.00 C ATOM 178 CG1 VAL A 544 7.891 9.916 -1.370 1.00 0.00 C ATOM 179 CG2 VAL A 544 6.358 9.765 0.605 1.00 0.00 C ATOM 0 H VAL A 544 4.361 9.610 -1.091 1.00 0.00 H new ATOM 0 HA VAL A 544 6.444 7.903 -2.294 1.00 0.00 H new ATOM 0 HB VAL A 544 7.668 8.233 -0.084 1.00 0.00 H new ATOM 0 HG11 VAL A 544 8.633 10.401 -0.736 1.00 0.00 H new ATOM 0 HG12 VAL A 544 8.397 9.334 -2.140 1.00 0.00 H new ATOM 0 HG13 VAL A 544 7.265 10.674 -1.841 1.00 0.00 H new ATOM 0 HG21 VAL A 544 7.121 10.253 1.212 1.00 0.00 H new ATOM 0 HG22 VAL A 544 5.690 10.518 0.187 1.00 0.00 H new ATOM 0 HG23 VAL A 544 5.786 9.077 1.227 1.00 0.00 H new ATOM 189 N CYS A 545 4.045 6.965 -0.751 1.00 0.00 N ATOM 190 CA CYS A 545 3.339 5.898 -0.053 1.00 0.00 C ATOM 191 C CYS A 545 2.354 5.197 -0.983 1.00 0.00 C ATOM 192 O CYS A 545 1.742 5.829 -1.845 1.00 0.00 O ATOM 193 CB CYS A 545 2.598 6.458 1.163 1.00 0.00 C ATOM 194 SG CYS A 545 3.685 7.091 2.463 1.00 0.00 S ATOM 0 H CYS A 545 3.452 7.547 -1.342 1.00 0.00 H new ATOM 0 HA CYS A 545 4.076 5.169 0.283 1.00 0.00 H new ATOM 0 HB2 CYS A 545 1.937 7.260 0.835 1.00 0.00 H new ATOM 0 HB3 CYS A 545 1.966 5.675 1.582 1.00 0.00 H new ATOM 0 HG CYS A 545 3.440 6.466 3.576 1.00 0.00 H new ATOM 200 N ALA A 546 2.210 3.889 -0.806 1.00 0.00 N ATOM 201 CA ALA A 546 1.299 3.102 -1.629 1.00 0.00 C ATOM 202 C ALA A 546 0.407 2.215 -0.768 1.00 0.00 C ATOM 203 O ALA A 546 0.836 1.704 0.267 1.00 0.00 O ATOM 204 CB ALA A 546 2.084 2.258 -2.624 1.00 0.00 C ATOM 0 H ALA A 546 2.712 3.351 -0.100 1.00 0.00 H new ATOM 0 HA ALA A 546 0.658 3.791 -2.179 1.00 0.00 H new ATOM 0 HB1 ALA A 546 1.392 1.675 -3.232 1.00 0.00 H new ATOM 0 HB2 ALA A 546 2.673 2.910 -3.269 1.00 0.00 H new ATOM 0 HB3 ALA A 546 2.749 1.584 -2.084 1.00 0.00 H new ATOM 210 N HIS A 547 -0.836 2.035 -1.202 1.00 0.00 N ATOM 211 CA HIS A 547 -1.790 1.210 -0.470 1.00 0.00 C ATOM 212 C HIS A 547 -2.157 -0.036 -1.271 1.00 0.00 C ATOM 213 O HIS A 547 -2.546 0.055 -2.435 1.00 0.00 O ATOM 214 CB HIS A 547 -3.051 2.012 -0.149 1.00 0.00 C ATOM 215 CG HIS A 547 -4.040 1.264 0.691 1.00 0.00 C ATOM 216 ND1 HIS A 547 -5.404 1.404 0.550 1.00 0.00 N ATOM 217 CD2 HIS A 547 -3.856 0.363 1.684 1.00 0.00 C ATOM 218 CE1 HIS A 547 -6.017 0.622 1.422 1.00 0.00 C ATOM 219 NE2 HIS A 547 -5.099 -0.020 2.122 1.00 0.00 N ATOM 0 H HIS A 547 -1.206 2.450 -2.057 1.00 0.00 H new ATOM 0 HA HIS A 547 -1.320 0.897 0.463 1.00 0.00 H new ATOM 0 HB2 HIS A 547 -2.767 2.928 0.369 1.00 0.00 H new ATOM 0 HB3 HIS A 547 -3.530 2.309 -1.082 1.00 0.00 H new ATOM 0 HD1 HIS A 547 -5.868 2.015 -0.122 1.00 0.00 H new ATOM 0 HD2 HIS A 547 -2.907 0.011 2.062 1.00 0.00 H new ATOM 0 HE1 HIS A 547 -7.086 0.525 1.542 1.00 0.00 H new ATOM 227 N ILE A 548 -2.028 -1.199 -0.640 1.00 0.00 N ATOM 228 CA ILE A 548 -2.346 -2.462 -1.294 1.00 0.00 C ATOM 229 C ILE A 548 -3.654 -3.040 -0.765 1.00 0.00 C ATOM 230 O ILE A 548 -3.777 -3.347 0.422 1.00 0.00 O ATOM 231 CB ILE A 548 -1.223 -3.497 -1.095 1.00 0.00 C ATOM 232 CG1 ILE A 548 0.111 -2.935 -1.593 1.00 0.00 C ATOM 233 CG2 ILE A 548 -1.562 -4.791 -1.820 1.00 0.00 C ATOM 234 CD1 ILE A 548 1.316 -3.674 -1.053 1.00 0.00 C ATOM 0 H ILE A 548 -1.705 -1.292 0.323 1.00 0.00 H new ATOM 0 HA ILE A 548 -2.449 -2.250 -2.358 1.00 0.00 H new ATOM 0 HB ILE A 548 -1.131 -3.713 -0.031 1.00 0.00 H new ATOM 0 HG12 ILE A 548 0.129 -2.974 -2.682 1.00 0.00 H new ATOM 0 HG13 ILE A 548 0.182 -1.885 -1.310 1.00 0.00 H new ATOM 0 HG21 ILE A 548 -0.759 -5.513 -1.670 1.00 0.00 H new ATOM 0 HG22 ILE A 548 -2.493 -5.197 -1.424 1.00 0.00 H new ATOM 0 HG23 ILE A 548 -1.677 -4.592 -2.885 1.00 0.00 H new ATOM 0 HD11 ILE A 548 2.226 -3.222 -1.447 1.00 0.00 H new ATOM 0 HD12 ILE A 548 1.322 -3.613 0.035 1.00 0.00 H new ATOM 0 HD13 ILE A 548 1.268 -4.719 -1.358 1.00 0.00 H new ATOM 246 N THR A 549 -4.631 -3.191 -1.654 1.00 0.00 N ATOM 247 CA THR A 549 -5.930 -3.733 -1.278 1.00 0.00 C ATOM 248 C THR A 549 -6.321 -4.898 -2.180 1.00 0.00 C ATOM 249 O THR A 549 -5.622 -5.213 -3.142 1.00 0.00 O ATOM 250 CB THR A 549 -7.029 -2.657 -1.344 1.00 0.00 C ATOM 251 OG1 THR A 549 -6.955 -1.956 -2.590 1.00 0.00 O ATOM 252 CG2 THR A 549 -6.891 -1.671 -0.194 1.00 0.00 C ATOM 0 H THR A 549 -4.546 -2.945 -2.640 1.00 0.00 H new ATOM 0 HA THR A 549 -5.839 -4.086 -0.251 1.00 0.00 H new ATOM 0 HB THR A 549 -7.996 -3.153 -1.263 1.00 0.00 H new ATOM 0 HG1 THR A 549 -7.659 -1.275 -2.624 1.00 0.00 H new ATOM 0 HG21 THR A 549 -7.678 -0.920 -0.262 1.00 0.00 H new ATOM 0 HG22 THR A 549 -6.977 -2.203 0.754 1.00 0.00 H new ATOM 0 HG23 THR A 549 -5.918 -1.182 -0.248 1.00 0.00 H new ATOM 260 N ASN A 550 -7.444 -5.535 -1.863 1.00 0.00 N ATOM 261 CA ASN A 550 -7.929 -6.666 -2.647 1.00 0.00 C ATOM 262 C ASN A 550 -6.991 -7.862 -2.512 1.00 0.00 C ATOM 263 O ASN A 550 -6.924 -8.714 -3.398 1.00 0.00 O ATOM 264 CB ASN A 550 -8.064 -6.274 -4.119 1.00 0.00 C ATOM 265 CG ASN A 550 -8.768 -7.337 -4.938 1.00 0.00 C ATOM 266 OD1 ASN A 550 -9.074 -8.421 -4.440 1.00 0.00 O ATOM 267 ND2 ASN A 550 -9.031 -7.031 -6.204 1.00 0.00 N ATOM 0 H ASN A 550 -8.035 -5.288 -1.069 1.00 0.00 H new ATOM 0 HA ASN A 550 -8.909 -6.949 -2.263 1.00 0.00 H new ATOM 0 HB2 ASN A 550 -8.616 -5.337 -4.193 1.00 0.00 H new ATOM 0 HB3 ASN A 550 -7.073 -6.094 -4.537 1.00 0.00 H new ATOM 0 HD21 ASN A 550 -9.504 -7.706 -6.804 1.00 0.00 H new ATOM 0 HD22 ASN A 550 -8.760 -6.121 -6.576 1.00 0.00 H new ATOM 274 N ILE A 551 -6.270 -7.919 -1.398 1.00 0.00 N ATOM 275 CA ILE A 551 -5.338 -9.011 -1.147 1.00 0.00 C ATOM 276 C ILE A 551 -5.958 -10.066 -0.235 1.00 0.00 C ATOM 277 O ILE A 551 -6.872 -9.789 0.542 1.00 0.00 O ATOM 278 CB ILE A 551 -4.033 -8.502 -0.507 1.00 0.00 C ATOM 279 CG1 ILE A 551 -4.342 -7.512 0.618 1.00 0.00 C ATOM 280 CG2 ILE A 551 -3.145 -7.855 -1.560 1.00 0.00 C ATOM 281 CD1 ILE A 551 -3.196 -7.321 1.587 1.00 0.00 C ATOM 0 H ILE A 551 -6.313 -7.222 -0.655 1.00 0.00 H new ATOM 0 HA ILE A 551 -5.110 -9.458 -2.115 1.00 0.00 H new ATOM 0 HB ILE A 551 -3.499 -9.351 -0.081 1.00 0.00 H new ATOM 0 HG12 ILE A 551 -4.602 -6.548 0.181 1.00 0.00 H new ATOM 0 HG13 ILE A 551 -5.217 -7.860 1.167 1.00 0.00 H new ATOM 0 HG21 ILE A 551 -2.226 -7.500 -1.093 1.00 0.00 H new ATOM 0 HG22 ILE A 551 -2.901 -8.587 -2.330 1.00 0.00 H new ATOM 0 HG23 ILE A 551 -3.671 -7.014 -2.012 1.00 0.00 H new ATOM 0 HD11 ILE A 551 -3.486 -6.606 2.357 1.00 0.00 H new ATOM 0 HD12 ILE A 551 -2.950 -8.276 2.052 1.00 0.00 H new ATOM 0 HD13 ILE A 551 -2.325 -6.943 1.051 1.00 0.00 H new ATOM 293 N PRO A 552 -5.451 -11.303 -0.330 1.00 0.00 N ATOM 294 CA PRO A 552 -5.938 -12.424 0.479 1.00 0.00 C ATOM 295 C PRO A 552 -5.428 -12.366 1.915 1.00 0.00 C ATOM 296 O PRO A 552 -4.221 -12.331 2.155 1.00 0.00 O ATOM 297 CB PRO A 552 -5.374 -13.651 -0.239 1.00 0.00 C ATOM 298 CG PRO A 552 -4.138 -13.164 -0.911 1.00 0.00 C ATOM 299 CD PRO A 552 -4.359 -11.704 -1.235 1.00 0.00 C ATOM 0 HA PRO A 552 -7.025 -12.425 0.563 1.00 0.00 H new ATOM 0 HB2 PRO A 552 -5.152 -14.453 0.464 1.00 0.00 H new ATOM 0 HB3 PRO A 552 -6.087 -14.049 -0.962 1.00 0.00 H new ATOM 0 HG2 PRO A 552 -3.271 -13.288 -0.262 1.00 0.00 H new ATOM 0 HG3 PRO A 552 -3.941 -13.735 -1.818 1.00 0.00 H new ATOM 0 HD2 PRO A 552 -3.459 -11.115 -1.061 1.00 0.00 H new ATOM 0 HD3 PRO A 552 -4.634 -11.564 -2.280 1.00 0.00 H new ATOM 307 N PHE A 553 -6.355 -12.356 2.867 1.00 0.00 N ATOM 308 CA PHE A 553 -6.000 -12.303 4.280 1.00 0.00 C ATOM 309 C PHE A 553 -5.377 -13.620 4.735 1.00 0.00 C ATOM 310 O PHE A 553 -5.005 -13.775 5.898 1.00 0.00 O ATOM 311 CB PHE A 553 -7.234 -11.991 5.128 1.00 0.00 C ATOM 312 CG PHE A 553 -8.463 -12.738 4.695 1.00 0.00 C ATOM 313 CD1 PHE A 553 -8.741 -13.996 5.207 1.00 0.00 C ATOM 314 CD2 PHE A 553 -9.340 -12.185 3.776 1.00 0.00 C ATOM 315 CE1 PHE A 553 -9.871 -14.687 4.811 1.00 0.00 C ATOM 316 CE2 PHE A 553 -10.472 -12.871 3.377 1.00 0.00 C ATOM 317 CZ PHE A 553 -10.737 -14.124 3.895 1.00 0.00 C ATOM 0 H PHE A 553 -7.358 -12.384 2.685 1.00 0.00 H new ATOM 0 HA PHE A 553 -5.266 -11.508 4.413 1.00 0.00 H new ATOM 0 HB2 PHE A 553 -7.020 -12.232 6.169 1.00 0.00 H new ATOM 0 HB3 PHE A 553 -7.435 -10.921 5.083 1.00 0.00 H new ATOM 0 HD1 PHE A 553 -8.067 -14.441 5.924 1.00 0.00 H new ATOM 0 HD2 PHE A 553 -9.137 -11.206 3.367 1.00 0.00 H new ATOM 0 HE1 PHE A 553 -10.076 -15.666 5.218 1.00 0.00 H new ATOM 0 HE2 PHE A 553 -11.148 -12.428 2.661 1.00 0.00 H new ATOM 0 HZ PHE A 553 -11.620 -14.662 3.584 1.00 0.00 H new ATOM 327 N SER A 554 -5.269 -14.567 3.808 1.00 0.00 N ATOM 328 CA SER A 554 -4.695 -15.873 4.114 1.00 0.00 C ATOM 329 C SER A 554 -3.191 -15.766 4.346 1.00 0.00 C ATOM 330 O SER A 554 -2.599 -16.591 5.042 1.00 0.00 O ATOM 331 CB SER A 554 -4.978 -16.856 2.976 1.00 0.00 C ATOM 332 OG SER A 554 -4.778 -18.194 3.397 1.00 0.00 O ATOM 0 H SER A 554 -5.571 -14.455 2.840 1.00 0.00 H new ATOM 0 HA SER A 554 -5.160 -16.241 5.028 1.00 0.00 H new ATOM 0 HB2 SER A 554 -6.004 -16.730 2.629 1.00 0.00 H new ATOM 0 HB3 SER A 554 -4.326 -16.636 2.131 1.00 0.00 H new ATOM 0 HG SER A 554 -4.967 -18.803 2.653 1.00 0.00 H new ATOM 338 N ILE A 555 -2.580 -14.743 3.757 1.00 0.00 N ATOM 339 CA ILE A 555 -1.145 -14.526 3.901 1.00 0.00 C ATOM 340 C ILE A 555 -0.839 -13.666 5.122 1.00 0.00 C ATOM 341 O ILE A 555 -1.739 -13.080 5.725 1.00 0.00 O ATOM 342 CB ILE A 555 -0.550 -13.853 2.649 1.00 0.00 C ATOM 343 CG1 ILE A 555 -0.981 -12.387 2.579 1.00 0.00 C ATOM 344 CG2 ILE A 555 -0.978 -14.598 1.394 1.00 0.00 C ATOM 345 CD1 ILE A 555 -0.223 -11.584 1.545 1.00 0.00 C ATOM 0 H ILE A 555 -3.055 -14.052 3.176 1.00 0.00 H new ATOM 0 HA ILE A 555 -0.688 -15.507 4.028 1.00 0.00 H new ATOM 0 HB ILE A 555 0.537 -13.889 2.716 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -2.047 -12.340 2.354 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -0.841 -11.928 3.558 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -0.550 -14.111 0.518 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -0.626 -15.628 1.445 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -2.065 -14.589 1.319 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -0.580 -10.554 1.550 1.00 0.00 H new ATOM 0 HD12 ILE A 555 0.841 -11.600 1.780 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -0.383 -12.018 0.558 1.00 0.00 H new ATOM 357 N THR A 556 0.439 -13.591 5.480 1.00 0.00 N ATOM 358 CA THR A 556 0.866 -12.801 6.629 1.00 0.00 C ATOM 359 C THR A 556 1.826 -11.695 6.208 1.00 0.00 C ATOM 360 O THR A 556 2.414 -11.745 5.128 1.00 0.00 O ATOM 361 CB THR A 556 1.548 -13.681 7.693 1.00 0.00 C ATOM 362 OG1 THR A 556 2.698 -14.325 7.133 1.00 0.00 O ATOM 363 CG2 THR A 556 0.584 -14.728 8.229 1.00 0.00 C ATOM 0 H THR A 556 1.197 -14.068 4.991 1.00 0.00 H new ATOM 0 HA THR A 556 -0.031 -12.355 7.058 1.00 0.00 H new ATOM 0 HB THR A 556 1.858 -13.040 8.518 1.00 0.00 H new ATOM 0 HG1 THR A 556 3.127 -14.881 7.817 1.00 0.00 H new ATOM 0 HG21 THR A 556 1.089 -15.337 8.979 1.00 0.00 H new ATOM 0 HG22 THR A 556 -0.275 -14.233 8.682 1.00 0.00 H new ATOM 0 HG23 THR A 556 0.247 -15.365 7.411 1.00 0.00 H new ATOM 371 N LYS A 557 1.982 -10.694 7.069 1.00 0.00 N ATOM 372 CA LYS A 557 2.873 -9.575 6.789 1.00 0.00 C ATOM 373 C LYS A 557 4.120 -10.044 6.047 1.00 0.00 C ATOM 374 O LYS A 557 4.494 -9.478 5.022 1.00 0.00 O ATOM 375 CB LYS A 557 3.274 -8.877 8.091 1.00 0.00 C ATOM 376 CG LYS A 557 4.077 -7.606 7.877 1.00 0.00 C ATOM 377 CD LYS A 557 5.561 -7.900 7.743 1.00 0.00 C ATOM 378 CE LYS A 557 6.408 -6.716 8.182 1.00 0.00 C ATOM 379 NZ LYS A 557 6.698 -6.752 9.642 1.00 0.00 N ATOM 0 H LYS A 557 1.502 -10.636 7.967 1.00 0.00 H new ATOM 0 HA LYS A 557 2.338 -8.868 6.154 1.00 0.00 H new ATOM 0 HB2 LYS A 557 2.374 -8.637 8.657 1.00 0.00 H new ATOM 0 HB3 LYS A 557 3.858 -9.568 8.699 1.00 0.00 H new ATOM 0 HG2 LYS A 557 3.723 -7.098 6.980 1.00 0.00 H new ATOM 0 HG3 LYS A 557 3.914 -6.926 8.713 1.00 0.00 H new ATOM 0 HD2 LYS A 557 5.815 -8.773 8.344 1.00 0.00 H new ATOM 0 HD3 LYS A 557 5.791 -8.149 6.707 1.00 0.00 H new ATOM 0 HE2 LYS A 557 7.345 -6.714 7.626 1.00 0.00 H new ATOM 0 HE3 LYS A 557 5.890 -5.789 7.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 557 7.277 -5.928 9.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 557 5.805 -6.728 10.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 557 7.215 -7.625 9.872 1.00 0.00 H new ATOM 393 N MET A 558 4.759 -11.084 6.574 1.00 0.00 N ATOM 394 CA MET A 558 5.964 -11.632 5.960 1.00 0.00 C ATOM 395 C MET A 558 5.751 -11.876 4.468 1.00 0.00 C ATOM 396 O MET A 558 6.559 -11.458 3.640 1.00 0.00 O ATOM 397 CB MET A 558 6.366 -12.936 6.649 1.00 0.00 C ATOM 398 CG MET A 558 7.651 -13.540 6.104 1.00 0.00 C ATOM 399 SD MET A 558 8.241 -14.927 7.094 1.00 0.00 S ATOM 400 CE MET A 558 9.198 -14.070 8.342 1.00 0.00 C ATOM 0 H MET A 558 4.463 -11.564 7.424 1.00 0.00 H new ATOM 0 HA MET A 558 6.766 -10.904 6.081 1.00 0.00 H new ATOM 0 HB2 MET A 558 6.485 -12.752 7.717 1.00 0.00 H new ATOM 0 HB3 MET A 558 5.558 -13.660 6.539 1.00 0.00 H new ATOM 0 HG2 MET A 558 7.485 -13.874 5.080 1.00 0.00 H new ATOM 0 HG3 MET A 558 8.422 -12.771 6.067 1.00 0.00 H new ATOM 0 HE1 MET A 558 9.629 -14.796 9.032 1.00 0.00 H new ATOM 0 HE2 MET A 558 9.998 -13.505 7.863 1.00 0.00 H new ATOM 0 HE3 MET A 558 8.550 -13.387 8.892 1.00 0.00 H new ATOM 410 N ASP A 559 4.657 -12.553 4.135 1.00 0.00 N ATOM 411 CA ASP A 559 4.338 -12.852 2.744 1.00 0.00 C ATOM 412 C ASP A 559 4.341 -11.581 1.900 1.00 0.00 C ATOM 413 O ASP A 559 4.907 -11.549 0.808 1.00 0.00 O ATOM 414 CB ASP A 559 2.975 -13.539 2.648 1.00 0.00 C ATOM 415 CG ASP A 559 3.052 -15.022 2.949 1.00 0.00 C ATOM 416 OD1 ASP A 559 3.978 -15.433 3.680 1.00 0.00 O ATOM 417 OD2 ASP A 559 2.186 -15.774 2.455 1.00 0.00 O ATOM 0 H ASP A 559 3.977 -12.905 4.809 1.00 0.00 H new ATOM 0 HA ASP A 559 5.104 -13.525 2.358 1.00 0.00 H new ATOM 0 HB2 ASP A 559 2.283 -13.065 3.344 1.00 0.00 H new ATOM 0 HB3 ASP A 559 2.569 -13.395 1.647 1.00 0.00 H new ATOM 422 N VAL A 560 3.704 -10.533 2.415 1.00 0.00 N ATOM 423 CA VAL A 560 3.633 -9.259 1.710 1.00 0.00 C ATOM 424 C VAL A 560 5.022 -8.770 1.317 1.00 0.00 C ATOM 425 O VAL A 560 5.245 -8.343 0.183 1.00 0.00 O ATOM 426 CB VAL A 560 2.946 -8.180 2.568 1.00 0.00 C ATOM 427 CG1 VAL A 560 3.139 -6.804 1.950 1.00 0.00 C ATOM 428 CG2 VAL A 560 1.466 -8.496 2.735 1.00 0.00 C ATOM 0 H VAL A 560 3.230 -10.542 3.318 1.00 0.00 H new ATOM 0 HA VAL A 560 3.042 -9.429 0.810 1.00 0.00 H new ATOM 0 HB VAL A 560 3.408 -8.176 3.555 1.00 0.00 H new ATOM 0 HG11 VAL A 560 2.647 -6.054 2.570 1.00 0.00 H new ATOM 0 HG12 VAL A 560 4.204 -6.580 1.886 1.00 0.00 H new ATOM 0 HG13 VAL A 560 2.705 -6.790 0.950 1.00 0.00 H new ATOM 0 HG21 VAL A 560 0.996 -7.724 3.344 1.00 0.00 H new ATOM 0 HG22 VAL A 560 0.988 -8.528 1.756 1.00 0.00 H new ATOM 0 HG23 VAL A 560 1.353 -9.463 3.225 1.00 0.00 H new ATOM 438 N LEU A 561 5.956 -8.838 2.260 1.00 0.00 N ATOM 439 CA LEU A 561 7.326 -8.402 2.013 1.00 0.00 C ATOM 440 C LEU A 561 7.899 -9.085 0.775 1.00 0.00 C ATOM 441 O LEU A 561 8.712 -8.505 0.055 1.00 0.00 O ATOM 442 CB LEU A 561 8.205 -8.703 3.228 1.00 0.00 C ATOM 443 CG LEU A 561 7.773 -8.057 4.545 1.00 0.00 C ATOM 444 CD1 LEU A 561 8.627 -8.568 5.696 1.00 0.00 C ATOM 445 CD2 LEU A 561 7.859 -6.541 4.448 1.00 0.00 C ATOM 0 H LEU A 561 5.789 -9.191 3.202 1.00 0.00 H new ATOM 0 HA LEU A 561 7.313 -7.326 1.839 1.00 0.00 H new ATOM 0 HB2 LEU A 561 8.237 -9.783 3.370 1.00 0.00 H new ATOM 0 HB3 LEU A 561 9.222 -8.381 3.005 1.00 0.00 H new ATOM 0 HG LEU A 561 6.736 -8.331 4.739 1.00 0.00 H new ATOM 0 HD11 LEU A 561 8.305 -8.097 6.625 1.00 0.00 H new ATOM 0 HD12 LEU A 561 8.516 -9.649 5.780 1.00 0.00 H new ATOM 0 HD13 LEU A 561 9.673 -8.324 5.509 1.00 0.00 H new ATOM 0 HD21 LEU A 561 7.548 -6.098 5.394 1.00 0.00 H new ATOM 0 HD22 LEU A 561 8.886 -6.248 4.230 1.00 0.00 H new ATOM 0 HD23 LEU A 561 7.205 -6.190 3.650 1.00 0.00 H new ATOM 457 N GLN A 562 7.468 -10.319 0.533 1.00 0.00 N ATOM 458 CA GLN A 562 7.938 -11.080 -0.619 1.00 0.00 C ATOM 459 C GLN A 562 7.417 -10.476 -1.919 1.00 0.00 C ATOM 460 O GLN A 562 8.123 -10.445 -2.928 1.00 0.00 O ATOM 461 CB GLN A 562 7.494 -12.540 -0.507 1.00 0.00 C ATOM 462 CG GLN A 562 8.449 -13.518 -1.174 1.00 0.00 C ATOM 463 CD GLN A 562 8.123 -13.745 -2.637 1.00 0.00 C ATOM 464 OE1 GLN A 562 8.998 -13.660 -3.500 1.00 0.00 O ATOM 465 NE2 GLN A 562 6.860 -14.035 -2.925 1.00 0.00 N ATOM 0 H GLN A 562 6.795 -10.813 1.119 1.00 0.00 H new ATOM 0 HA GLN A 562 9.027 -11.038 -0.631 1.00 0.00 H new ATOM 0 HB2 GLN A 562 7.396 -12.802 0.547 1.00 0.00 H new ATOM 0 HB3 GLN A 562 6.506 -12.646 -0.955 1.00 0.00 H new ATOM 0 HG2 GLN A 562 9.468 -13.142 -1.087 1.00 0.00 H new ATOM 0 HG3 GLN A 562 8.415 -14.471 -0.646 1.00 0.00 H new ATOM 0 HE21 GLN A 562 6.168 -14.095 -2.178 1.00 0.00 H new ATOM 0 HE22 GLN A 562 6.582 -14.198 -3.893 1.00 0.00 H new ATOM 474 N PHE A 563 6.178 -9.998 -1.889 1.00 0.00 N ATOM 475 CA PHE A 563 5.561 -9.395 -3.065 1.00 0.00 C ATOM 476 C PHE A 563 6.187 -8.038 -3.372 1.00 0.00 C ATOM 477 O PHE A 563 6.018 -7.497 -4.466 1.00 0.00 O ATOM 478 CB PHE A 563 4.054 -9.239 -2.854 1.00 0.00 C ATOM 479 CG PHE A 563 3.357 -8.554 -3.995 1.00 0.00 C ATOM 480 CD1 PHE A 563 3.250 -7.173 -4.031 1.00 0.00 C ATOM 481 CD2 PHE A 563 2.809 -9.292 -5.031 1.00 0.00 C ATOM 482 CE1 PHE A 563 2.609 -6.542 -5.079 1.00 0.00 C ATOM 483 CE2 PHE A 563 2.166 -8.666 -6.083 1.00 0.00 C ATOM 484 CZ PHE A 563 2.067 -7.288 -6.107 1.00 0.00 C ATOM 0 H PHE A 563 5.581 -10.016 -1.062 1.00 0.00 H new ATOM 0 HA PHE A 563 5.735 -10.056 -3.914 1.00 0.00 H new ATOM 0 HB2 PHE A 563 3.612 -10.224 -2.707 1.00 0.00 H new ATOM 0 HB3 PHE A 563 3.880 -8.672 -1.939 1.00 0.00 H new ATOM 0 HD1 PHE A 563 3.673 -6.584 -3.231 1.00 0.00 H new ATOM 0 HD2 PHE A 563 2.885 -10.369 -5.017 1.00 0.00 H new ATOM 0 HE1 PHE A 563 2.532 -5.465 -5.095 1.00 0.00 H new ATOM 0 HE2 PHE A 563 1.742 -9.253 -6.884 1.00 0.00 H new ATOM 0 HZ PHE A 563 1.567 -6.795 -6.928 1.00 0.00 H new ATOM 494 N LEU A 564 6.910 -7.493 -2.401 1.00 0.00 N ATOM 495 CA LEU A 564 7.561 -6.198 -2.565 1.00 0.00 C ATOM 496 C LEU A 564 9.048 -6.370 -2.857 1.00 0.00 C ATOM 497 O LEU A 564 9.852 -5.480 -2.580 1.00 0.00 O ATOM 498 CB LEU A 564 7.371 -5.346 -1.309 1.00 0.00 C ATOM 499 CG LEU A 564 5.935 -4.932 -0.989 1.00 0.00 C ATOM 500 CD1 LEU A 564 5.865 -4.248 0.368 1.00 0.00 C ATOM 501 CD2 LEU A 564 5.388 -4.019 -2.077 1.00 0.00 C ATOM 0 H LEU A 564 7.061 -7.928 -1.491 1.00 0.00 H new ATOM 0 HA LEU A 564 7.099 -5.691 -3.412 1.00 0.00 H new ATOM 0 HB2 LEU A 564 7.767 -5.898 -0.457 1.00 0.00 H new ATOM 0 HB3 LEU A 564 7.974 -4.444 -1.412 1.00 0.00 H new ATOM 0 HG LEU A 564 5.319 -5.830 -0.952 1.00 0.00 H new ATOM 0 HD11 LEU A 564 4.835 -3.961 0.578 1.00 0.00 H new ATOM 0 HD12 LEU A 564 6.215 -4.934 1.140 1.00 0.00 H new ATOM 0 HD13 LEU A 564 6.495 -3.359 0.360 1.00 0.00 H new ATOM 0 HD21 LEU A 564 4.365 -3.734 -1.833 1.00 0.00 H new ATOM 0 HD22 LEU A 564 6.007 -3.124 -2.146 1.00 0.00 H new ATOM 0 HD23 LEU A 564 5.400 -4.544 -3.032 1.00 0.00 H new ATOM 513 N GLU A 565 9.406 -7.519 -3.421 1.00 0.00 N ATOM 514 CA GLU A 565 10.798 -7.807 -3.752 1.00 0.00 C ATOM 515 C GLU A 565 11.293 -6.888 -4.866 1.00 0.00 C ATOM 516 O GLU A 565 10.664 -6.776 -5.917 1.00 0.00 O ATOM 517 CB GLU A 565 10.954 -9.269 -4.173 1.00 0.00 C ATOM 518 CG GLU A 565 12.398 -9.693 -4.376 1.00 0.00 C ATOM 519 CD GLU A 565 12.540 -10.818 -5.383 1.00 0.00 C ATOM 520 OE1 GLU A 565 12.434 -10.544 -6.597 1.00 0.00 O ATOM 521 OE2 GLU A 565 12.757 -11.972 -4.958 1.00 0.00 O ATOM 0 H GLU A 565 8.753 -8.265 -3.658 1.00 0.00 H new ATOM 0 HA GLU A 565 11.401 -7.628 -2.862 1.00 0.00 H new ATOM 0 HB2 GLU A 565 10.500 -9.907 -3.415 1.00 0.00 H new ATOM 0 HB3 GLU A 565 10.403 -9.432 -5.099 1.00 0.00 H new ATOM 0 HG2 GLU A 565 12.981 -8.835 -4.711 1.00 0.00 H new ATOM 0 HG3 GLU A 565 12.817 -10.010 -3.421 1.00 0.00 H new ATOM 528 N GLY A 566 12.425 -6.234 -4.626 1.00 0.00 N ATOM 529 CA GLY A 566 12.984 -5.334 -5.618 1.00 0.00 C ATOM 530 C GLY A 566 12.810 -3.875 -5.241 1.00 0.00 C ATOM 531 O GLY A 566 13.463 -2.999 -5.808 1.00 0.00 O ATOM 0 H GLY A 566 12.964 -6.311 -3.764 1.00 0.00 H new ATOM 0 HA2 GLY A 566 14.045 -5.550 -5.743 1.00 0.00 H new ATOM 0 HA3 GLY A 566 12.506 -5.517 -6.580 1.00 0.00 H new ATOM 535 N ILE A 567 11.927 -3.615 -4.282 1.00 0.00 N ATOM 536 CA ILE A 567 11.670 -2.253 -3.832 1.00 0.00 C ATOM 537 C ILE A 567 12.285 -2.003 -2.459 1.00 0.00 C ATOM 538 O ILE A 567 11.746 -2.405 -1.428 1.00 0.00 O ATOM 539 CB ILE A 567 10.160 -1.958 -3.767 1.00 0.00 C ATOM 540 CG1 ILE A 567 9.484 -2.357 -5.081 1.00 0.00 C ATOM 541 CG2 ILE A 567 9.920 -0.485 -3.468 1.00 0.00 C ATOM 542 CD1 ILE A 567 7.976 -2.230 -5.047 1.00 0.00 C ATOM 0 H ILE A 567 11.379 -4.329 -3.803 1.00 0.00 H new ATOM 0 HA ILE A 567 12.131 -1.587 -4.561 1.00 0.00 H new ATOM 0 HB ILE A 567 9.724 -2.548 -2.961 1.00 0.00 H new ATOM 0 HG12 ILE A 567 9.875 -1.734 -5.885 1.00 0.00 H new ATOM 0 HG13 ILE A 567 9.749 -3.387 -5.318 1.00 0.00 H new ATOM 0 HG21 ILE A 567 8.848 -0.292 -3.425 1.00 0.00 H new ATOM 0 HG22 ILE A 567 10.373 -0.230 -2.510 1.00 0.00 H new ATOM 0 HG23 ILE A 567 10.367 0.123 -4.254 1.00 0.00 H new ATOM 0 HD11 ILE A 567 7.564 -2.529 -6.011 1.00 0.00 H new ATOM 0 HD12 ILE A 567 7.574 -2.874 -4.265 1.00 0.00 H new ATOM 0 HD13 ILE A 567 7.703 -1.195 -4.841 1.00 0.00 H new ATOM 554 N PRO A 568 13.440 -1.321 -2.443 1.00 0.00 N ATOM 555 CA PRO A 568 14.151 -0.999 -1.203 1.00 0.00 C ATOM 556 C PRO A 568 13.228 -0.417 -0.138 1.00 0.00 C ATOM 557 O PRO A 568 12.761 0.715 -0.259 1.00 0.00 O ATOM 558 CB PRO A 568 15.181 0.044 -1.645 1.00 0.00 C ATOM 559 CG PRO A 568 15.435 -0.260 -3.081 1.00 0.00 C ATOM 560 CD PRO A 568 14.139 -0.811 -3.634 1.00 0.00 C ATOM 0 HA PRO A 568 14.590 -1.885 -0.744 1.00 0.00 H new ATOM 0 HB2 PRO A 568 14.799 1.057 -1.516 1.00 0.00 H new ATOM 0 HB3 PRO A 568 16.096 -0.029 -1.057 1.00 0.00 H new ATOM 0 HG2 PRO A 568 15.738 0.637 -3.621 1.00 0.00 H new ATOM 0 HG3 PRO A 568 16.243 -0.984 -3.188 1.00 0.00 H new ATOM 0 HD2 PRO A 568 13.559 -0.039 -4.139 1.00 0.00 H new ATOM 0 HD3 PRO A 568 14.319 -1.602 -4.362 1.00 0.00 H new ATOM 568 N VAL A 569 12.969 -1.199 0.906 1.00 0.00 N ATOM 569 CA VAL A 569 12.102 -0.760 1.993 1.00 0.00 C ATOM 570 C VAL A 569 12.223 -1.684 3.200 1.00 0.00 C ATOM 571 O VAL A 569 12.504 -2.874 3.058 1.00 0.00 O ATOM 572 CB VAL A 569 10.629 -0.705 1.549 1.00 0.00 C ATOM 573 CG1 VAL A 569 10.107 -2.104 1.253 1.00 0.00 C ATOM 574 CG2 VAL A 569 9.777 -0.023 2.610 1.00 0.00 C ATOM 0 H VAL A 569 13.347 -2.139 1.022 1.00 0.00 H new ATOM 0 HA VAL A 569 12.427 0.242 2.272 1.00 0.00 H new ATOM 0 HB VAL A 569 10.566 -0.118 0.633 1.00 0.00 H new ATOM 0 HG11 VAL A 569 9.064 -2.045 0.941 1.00 0.00 H new ATOM 0 HG12 VAL A 569 10.700 -2.552 0.456 1.00 0.00 H new ATOM 0 HG13 VAL A 569 10.183 -2.718 2.150 1.00 0.00 H new ATOM 0 HG21 VAL A 569 8.739 0.007 2.279 1.00 0.00 H new ATOM 0 HG22 VAL A 569 9.844 -0.580 3.544 1.00 0.00 H new ATOM 0 HG23 VAL A 569 10.137 0.994 2.768 1.00 0.00 H new ATOM 584 N ASP A 570 12.011 -1.128 4.388 1.00 0.00 N ATOM 585 CA ASP A 570 12.095 -1.902 5.620 1.00 0.00 C ATOM 586 C ASP A 570 10.767 -2.591 5.920 1.00 0.00 C ATOM 587 O ASP A 570 9.740 -2.263 5.328 1.00 0.00 O ATOM 588 CB ASP A 570 12.491 -0.998 6.789 1.00 0.00 C ATOM 589 CG ASP A 570 13.993 -0.851 6.924 1.00 0.00 C ATOM 590 OD1 ASP A 570 14.640 -1.797 7.418 1.00 0.00 O ATOM 591 OD2 ASP A 570 14.523 0.212 6.536 1.00 0.00 O ATOM 0 H ASP A 570 11.780 -0.144 4.523 1.00 0.00 H new ATOM 0 HA ASP A 570 12.859 -2.668 5.488 1.00 0.00 H new ATOM 0 HB2 ASP A 570 12.044 -0.014 6.651 1.00 0.00 H new ATOM 0 HB3 ASP A 570 12.084 -1.406 7.714 1.00 0.00 H new ATOM 596 N GLU A 571 10.799 -3.547 6.844 1.00 0.00 N ATOM 597 CA GLU A 571 9.597 -4.283 7.220 1.00 0.00 C ATOM 598 C GLU A 571 8.592 -3.367 7.910 1.00 0.00 C ATOM 599 O GLU A 571 7.383 -3.509 7.731 1.00 0.00 O ATOM 600 CB GLU A 571 9.956 -5.451 8.142 1.00 0.00 C ATOM 601 CG GLU A 571 10.907 -6.454 7.512 1.00 0.00 C ATOM 602 CD GLU A 571 11.584 -7.342 8.538 1.00 0.00 C ATOM 603 OE1 GLU A 571 11.909 -6.839 9.634 1.00 0.00 O ATOM 604 OE2 GLU A 571 11.789 -8.538 8.247 1.00 0.00 O ATOM 0 H GLU A 571 11.642 -3.829 7.345 1.00 0.00 H new ATOM 0 HA GLU A 571 9.141 -4.674 6.310 1.00 0.00 H new ATOM 0 HB2 GLU A 571 10.407 -5.058 9.053 1.00 0.00 H new ATOM 0 HB3 GLU A 571 9.041 -5.966 8.436 1.00 0.00 H new ATOM 0 HG2 GLU A 571 10.357 -7.076 6.806 1.00 0.00 H new ATOM 0 HG3 GLU A 571 11.667 -5.920 6.942 1.00 0.00 H new ATOM 611 N ASN A 572 9.100 -2.428 8.701 1.00 0.00 N ATOM 612 CA ASN A 572 8.247 -1.488 9.419 1.00 0.00 C ATOM 613 C ASN A 572 7.481 -0.597 8.446 1.00 0.00 C ATOM 614 O ASN A 572 6.360 -0.175 8.727 1.00 0.00 O ATOM 615 CB ASN A 572 9.086 -0.627 10.366 1.00 0.00 C ATOM 616 CG ASN A 572 8.232 0.152 11.347 1.00 0.00 C ATOM 617 OD1 ASN A 572 8.273 1.383 11.382 1.00 0.00 O ATOM 618 ND2 ASN A 572 7.452 -0.561 12.149 1.00 0.00 N ATOM 0 H ASN A 572 10.099 -2.298 8.861 1.00 0.00 H new ATOM 0 HA ASN A 572 7.527 -2.061 10.003 1.00 0.00 H new ATOM 0 HB2 ASN A 572 9.777 -1.265 10.917 1.00 0.00 H new ATOM 0 HB3 ASN A 572 9.690 0.068 9.782 1.00 0.00 H new ATOM 0 HD21 ASN A 572 6.854 -0.091 12.829 1.00 0.00 H new ATOM 0 HD22 ASN A 572 7.450 -1.579 12.085 1.00 0.00 H new ATOM 625 N ALA A 573 8.095 -0.313 7.302 1.00 0.00 N ATOM 626 CA ALA A 573 7.470 0.526 6.287 1.00 0.00 C ATOM 627 C ALA A 573 6.086 0.002 5.918 1.00 0.00 C ATOM 628 O ALA A 573 5.268 0.727 5.352 1.00 0.00 O ATOM 629 CB ALA A 573 8.354 0.605 5.051 1.00 0.00 C ATOM 0 H ALA A 573 9.025 -0.652 7.055 1.00 0.00 H new ATOM 0 HA ALA A 573 7.352 1.528 6.700 1.00 0.00 H new ATOM 0 HB1 ALA A 573 7.875 1.235 4.301 1.00 0.00 H new ATOM 0 HB2 ALA A 573 9.320 1.033 5.321 1.00 0.00 H new ATOM 0 HB3 ALA A 573 8.501 -0.396 4.644 1.00 0.00 H new ATOM 635 N VAL A 574 5.832 -1.262 6.242 1.00 0.00 N ATOM 636 CA VAL A 574 4.546 -1.883 5.944 1.00 0.00 C ATOM 637 C VAL A 574 3.675 -1.968 7.192 1.00 0.00 C ATOM 638 O VAL A 574 4.095 -2.501 8.220 1.00 0.00 O ATOM 639 CB VAL A 574 4.727 -3.296 5.360 1.00 0.00 C ATOM 640 CG1 VAL A 574 3.376 -3.962 5.144 1.00 0.00 C ATOM 641 CG2 VAL A 574 5.515 -3.237 4.060 1.00 0.00 C ATOM 0 H VAL A 574 6.499 -1.876 6.710 1.00 0.00 H new ATOM 0 HA VAL A 574 4.054 -1.253 5.203 1.00 0.00 H new ATOM 0 HB VAL A 574 5.291 -3.896 6.074 1.00 0.00 H new ATOM 0 HG11 VAL A 574 3.524 -4.960 4.731 1.00 0.00 H new ATOM 0 HG12 VAL A 574 2.851 -4.038 6.096 1.00 0.00 H new ATOM 0 HG13 VAL A 574 2.783 -3.366 4.450 1.00 0.00 H new ATOM 0 HG21 VAL A 574 5.634 -4.244 3.661 1.00 0.00 H new ATOM 0 HG22 VAL A 574 4.979 -2.621 3.338 1.00 0.00 H new ATOM 0 HG23 VAL A 574 6.497 -2.803 4.249 1.00 0.00 H new ATOM 651 N HIS A 575 2.459 -1.441 7.096 1.00 0.00 N ATOM 652 CA HIS A 575 1.527 -1.459 8.218 1.00 0.00 C ATOM 653 C HIS A 575 0.293 -2.294 7.887 1.00 0.00 C ATOM 654 O HIS A 575 -0.390 -2.044 6.894 1.00 0.00 O ATOM 655 CB HIS A 575 1.110 -0.035 8.586 1.00 0.00 C ATOM 656 CG HIS A 575 2.186 0.747 9.274 1.00 0.00 C ATOM 657 ND1 HIS A 575 1.956 1.522 10.390 1.00 0.00 N ATOM 658 CD2 HIS A 575 3.505 0.867 8.999 1.00 0.00 C ATOM 659 CE1 HIS A 575 3.087 2.088 10.771 1.00 0.00 C ATOM 660 NE2 HIS A 575 4.044 1.707 9.944 1.00 0.00 N ATOM 0 H HIS A 575 2.096 -0.996 6.253 1.00 0.00 H new ATOM 0 HA HIS A 575 2.033 -1.913 9.070 1.00 0.00 H new ATOM 0 HB2 HIS A 575 0.812 0.493 7.680 1.00 0.00 H new ATOM 0 HB3 HIS A 575 0.234 -0.078 9.233 1.00 0.00 H new ATOM 0 HD2 HIS A 575 4.036 0.391 8.188 1.00 0.00 H new ATOM 0 HE1 HIS A 575 3.209 2.750 11.616 1.00 0.00 H new ATOM 0 HE2 HIS A 575 5.023 1.990 9.998 1.00 0.00 H new ATOM 668 N VAL A 576 0.014 -3.287 8.726 1.00 0.00 N ATOM 669 CA VAL A 576 -1.136 -4.159 8.522 1.00 0.00 C ATOM 670 C VAL A 576 -2.376 -3.603 9.213 1.00 0.00 C ATOM 671 O VAL A 576 -2.335 -3.240 10.390 1.00 0.00 O ATOM 672 CB VAL A 576 -0.864 -5.581 9.046 1.00 0.00 C ATOM 673 CG1 VAL A 576 -2.103 -6.450 8.903 1.00 0.00 C ATOM 674 CG2 VAL A 576 0.319 -6.199 8.317 1.00 0.00 C ATOM 0 H VAL A 576 0.569 -3.507 9.553 1.00 0.00 H new ATOM 0 HA VAL A 576 -1.311 -4.204 7.447 1.00 0.00 H new ATOM 0 HB VAL A 576 -0.616 -5.518 10.106 1.00 0.00 H new ATOM 0 HG11 VAL A 576 -1.891 -7.451 9.279 1.00 0.00 H new ATOM 0 HG12 VAL A 576 -2.922 -6.014 9.475 1.00 0.00 H new ATOM 0 HG13 VAL A 576 -2.386 -6.509 7.852 1.00 0.00 H new ATOM 0 HG21 VAL A 576 0.498 -7.204 8.700 1.00 0.00 H new ATOM 0 HG22 VAL A 576 0.102 -6.250 7.250 1.00 0.00 H new ATOM 0 HG23 VAL A 576 1.206 -5.586 8.478 1.00 0.00 H new ATOM 684 N LEU A 577 -3.479 -3.538 8.476 1.00 0.00 N ATOM 685 CA LEU A 577 -4.733 -3.026 9.018 1.00 0.00 C ATOM 686 C LEU A 577 -5.507 -4.129 9.734 1.00 0.00 C ATOM 687 O LEU A 577 -5.297 -5.315 9.480 1.00 0.00 O ATOM 688 CB LEU A 577 -5.590 -2.431 7.899 1.00 0.00 C ATOM 689 CG LEU A 577 -5.210 -1.023 7.441 1.00 0.00 C ATOM 690 CD1 LEU A 577 -6.089 -0.584 6.279 1.00 0.00 C ATOM 691 CD2 LEU A 577 -5.319 -0.038 8.595 1.00 0.00 C ATOM 0 H LEU A 577 -3.531 -3.833 7.501 1.00 0.00 H new ATOM 0 HA LEU A 577 -4.496 -2.245 9.741 1.00 0.00 H new ATOM 0 HB2 LEU A 577 -5.541 -3.097 7.038 1.00 0.00 H new ATOM 0 HB3 LEU A 577 -6.628 -2.416 8.232 1.00 0.00 H new ATOM 0 HG LEU A 577 -4.174 -1.040 7.101 1.00 0.00 H new ATOM 0 HD11 LEU A 577 -5.804 0.421 5.966 1.00 0.00 H new ATOM 0 HD12 LEU A 577 -5.961 -1.274 5.445 1.00 0.00 H new ATOM 0 HD13 LEU A 577 -7.133 -0.584 6.592 1.00 0.00 H new ATOM 0 HD21 LEU A 577 -5.045 0.959 8.250 1.00 0.00 H new ATOM 0 HD22 LEU A 577 -6.344 -0.024 8.966 1.00 0.00 H new ATOM 0 HD23 LEU A 577 -4.647 -0.342 9.397 1.00 0.00 H new ATOM 809 N GLY A 586 -7.760 -7.856 4.568 1.00 0.00 N ATOM 810 CA GLY A 586 -6.850 -7.807 3.438 1.00 0.00 C ATOM 811 C GLY A 586 -6.520 -6.387 3.020 1.00 0.00 C ATOM 812 O GLY A 586 -7.029 -5.897 2.013 1.00 0.00 O ATOM 0 HA2 GLY A 586 -5.929 -8.330 3.694 1.00 0.00 H new ATOM 0 HA3 GLY A 586 -7.294 -8.337 2.595 1.00 0.00 H new ATOM 816 N GLN A 587 -5.666 -5.727 3.796 1.00 0.00 N ATOM 817 CA GLN A 587 -5.271 -4.355 3.500 1.00 0.00 C ATOM 818 C GLN A 587 -3.980 -3.993 4.226 1.00 0.00 C ATOM 819 O GLN A 587 -3.839 -4.239 5.424 1.00 0.00 O ATOM 820 CB GLN A 587 -6.384 -3.385 3.900 1.00 0.00 C ATOM 821 CG GLN A 587 -7.600 -3.446 2.990 1.00 0.00 C ATOM 822 CD GLN A 587 -8.383 -2.148 2.973 1.00 0.00 C ATOM 823 OE1 GLN A 587 -7.918 -1.122 3.473 1.00 0.00 O ATOM 824 NE2 GLN A 587 -9.579 -2.184 2.397 1.00 0.00 N ATOM 0 H GLN A 587 -5.235 -6.120 4.633 1.00 0.00 H new ATOM 0 HA GLN A 587 -5.098 -4.276 2.427 1.00 0.00 H new ATOM 0 HB2 GLN A 587 -6.694 -3.602 4.922 1.00 0.00 H new ATOM 0 HB3 GLN A 587 -5.988 -2.369 3.896 1.00 0.00 H new ATOM 0 HG2 GLN A 587 -7.279 -3.685 1.976 1.00 0.00 H new ATOM 0 HG3 GLN A 587 -8.253 -4.255 3.317 1.00 0.00 H new ATOM 0 HE21 GLN A 587 -9.926 -3.055 1.995 1.00 0.00 H new ATOM 0 HE22 GLN A 587 -10.151 -1.340 2.356 1.00 0.00 H new ATOM 833 N ALA A 588 -3.039 -3.406 3.493 1.00 0.00 N ATOM 834 CA ALA A 588 -1.760 -3.008 4.067 1.00 0.00 C ATOM 835 C ALA A 588 -1.217 -1.757 3.385 1.00 0.00 C ATOM 836 O ALA A 588 -1.386 -1.573 2.179 1.00 0.00 O ATOM 837 CB ALA A 588 -0.757 -4.147 3.961 1.00 0.00 C ATOM 0 H ALA A 588 -3.139 -3.196 2.500 1.00 0.00 H new ATOM 0 HA ALA A 588 -1.919 -2.775 5.120 1.00 0.00 H new ATOM 0 HB1 ALA A 588 0.194 -3.836 4.394 1.00 0.00 H new ATOM 0 HB2 ALA A 588 -1.134 -5.016 4.501 1.00 0.00 H new ATOM 0 HB3 ALA A 588 -0.611 -4.407 2.913 1.00 0.00 H new ATOM 843 N LEU A 589 -0.566 -0.899 4.163 1.00 0.00 N ATOM 844 CA LEU A 589 0.001 0.336 3.634 1.00 0.00 C ATOM 845 C LEU A 589 1.525 0.267 3.603 1.00 0.00 C ATOM 846 O LEU A 589 2.141 -0.425 4.415 1.00 0.00 O ATOM 847 CB LEU A 589 -0.450 1.530 4.476 1.00 0.00 C ATOM 848 CG LEU A 589 -1.941 1.866 4.420 1.00 0.00 C ATOM 849 CD1 LEU A 589 -2.321 2.796 5.562 1.00 0.00 C ATOM 850 CD2 LEU A 589 -2.296 2.492 3.080 1.00 0.00 C ATOM 0 H LEU A 589 -0.418 -1.036 5.163 1.00 0.00 H new ATOM 0 HA LEU A 589 -0.359 0.463 2.613 1.00 0.00 H new ATOM 0 HB2 LEU A 589 -0.180 1.339 5.515 1.00 0.00 H new ATOM 0 HB3 LEU A 589 0.112 2.408 4.156 1.00 0.00 H new ATOM 0 HG LEU A 589 -2.507 0.941 4.528 1.00 0.00 H new ATOM 0 HD11 LEU A 589 -3.385 3.024 5.506 1.00 0.00 H new ATOM 0 HD12 LEU A 589 -2.103 2.311 6.514 1.00 0.00 H new ATOM 0 HD13 LEU A 589 -1.747 3.720 5.485 1.00 0.00 H new ATOM 0 HD21 LEU A 589 -3.361 2.725 3.058 1.00 0.00 H new ATOM 0 HD22 LEU A 589 -1.721 3.408 2.943 1.00 0.00 H new ATOM 0 HD23 LEU A 589 -2.061 1.793 2.278 1.00 0.00 H new ATOM 862 N VAL A 590 2.126 0.989 2.663 1.00 0.00 N ATOM 863 CA VAL A 590 3.578 1.011 2.531 1.00 0.00 C ATOM 864 C VAL A 590 4.098 2.441 2.423 1.00 0.00 C ATOM 865 O VAL A 590 3.495 3.282 1.757 1.00 0.00 O ATOM 866 CB VAL A 590 4.041 0.215 1.296 1.00 0.00 C ATOM 867 CG1 VAL A 590 5.529 -0.087 1.382 1.00 0.00 C ATOM 868 CG2 VAL A 590 3.235 -1.067 1.156 1.00 0.00 C ATOM 0 H VAL A 590 1.631 1.566 1.983 1.00 0.00 H new ATOM 0 HA VAL A 590 3.985 0.545 3.429 1.00 0.00 H new ATOM 0 HB VAL A 590 3.870 0.823 0.408 1.00 0.00 H new ATOM 0 HG11 VAL A 590 5.838 -0.650 0.501 1.00 0.00 H new ATOM 0 HG12 VAL A 590 6.088 0.848 1.430 1.00 0.00 H new ATOM 0 HG13 VAL A 590 5.730 -0.676 2.277 1.00 0.00 H new ATOM 0 HG21 VAL A 590 3.575 -1.617 0.278 1.00 0.00 H new ATOM 0 HG22 VAL A 590 3.372 -1.682 2.045 1.00 0.00 H new ATOM 0 HG23 VAL A 590 2.179 -0.822 1.044 1.00 0.00 H new ATOM 878 N GLN A 591 5.219 2.708 3.084 1.00 0.00 N ATOM 879 CA GLN A 591 5.820 4.036 3.064 1.00 0.00 C ATOM 880 C GLN A 591 7.253 3.978 2.546 1.00 0.00 C ATOM 881 O GLN A 591 8.002 3.054 2.864 1.00 0.00 O ATOM 882 CB GLN A 591 5.795 4.652 4.464 1.00 0.00 C ATOM 883 CG GLN A 591 6.275 6.094 4.503 1.00 0.00 C ATOM 884 CD GLN A 591 7.779 6.204 4.665 1.00 0.00 C ATOM 885 OE1 GLN A 591 8.484 5.196 4.723 1.00 0.00 O ATOM 886 NE2 GLN A 591 8.279 7.432 4.739 1.00 0.00 N ATOM 0 H GLN A 591 5.730 2.022 3.640 1.00 0.00 H new ATOM 0 HA GLN A 591 5.235 4.661 2.390 1.00 0.00 H new ATOM 0 HB2 GLN A 591 4.778 4.606 4.854 1.00 0.00 H new ATOM 0 HB3 GLN A 591 6.419 4.052 5.127 1.00 0.00 H new ATOM 0 HG2 GLN A 591 5.974 6.598 3.584 1.00 0.00 H new ATOM 0 HG3 GLN A 591 5.786 6.614 5.327 1.00 0.00 H new ATOM 0 HE21 GLN A 591 7.658 8.239 4.687 1.00 0.00 H new ATOM 0 HE22 GLN A 591 9.284 7.568 4.848 1.00 0.00 H new ATOM 895 N PHE A 592 7.629 4.971 1.747 1.00 0.00 N ATOM 896 CA PHE A 592 8.973 5.032 1.185 1.00 0.00 C ATOM 897 C PHE A 592 9.620 6.385 1.463 1.00 0.00 C ATOM 898 O PHE A 592 8.952 7.331 1.883 1.00 0.00 O ATOM 899 CB PHE A 592 8.930 4.776 -0.323 1.00 0.00 C ATOM 900 CG PHE A 592 8.237 3.496 -0.694 1.00 0.00 C ATOM 901 CD1 PHE A 592 8.855 2.273 -0.490 1.00 0.00 C ATOM 902 CD2 PHE A 592 6.967 3.516 -1.249 1.00 0.00 C ATOM 903 CE1 PHE A 592 8.220 1.093 -0.829 1.00 0.00 C ATOM 904 CE2 PHE A 592 6.327 2.340 -1.591 1.00 0.00 C ATOM 905 CZ PHE A 592 6.954 1.127 -1.382 1.00 0.00 C ATOM 0 H PHE A 592 7.022 5.744 1.474 1.00 0.00 H new ATOM 0 HA PHE A 592 9.574 4.258 1.662 1.00 0.00 H new ATOM 0 HB2 PHE A 592 8.423 5.609 -0.811 1.00 0.00 H new ATOM 0 HB3 PHE A 592 9.949 4.753 -0.709 1.00 0.00 H new ATOM 0 HD1 PHE A 592 9.845 2.241 -0.061 1.00 0.00 H new ATOM 0 HD2 PHE A 592 6.472 4.461 -1.416 1.00 0.00 H new ATOM 0 HE1 PHE A 592 8.712 0.146 -0.662 1.00 0.00 H new ATOM 0 HE2 PHE A 592 5.337 2.369 -2.022 1.00 0.00 H new ATOM 0 HZ PHE A 592 6.456 0.207 -1.650 1.00 0.00 H new ATOM 915 N LYS A 593 10.924 6.472 1.228 1.00 0.00 N ATOM 916 CA LYS A 593 11.663 7.709 1.451 1.00 0.00 C ATOM 917 C LYS A 593 11.571 8.625 0.236 1.00 0.00 C ATOM 918 O LYS A 593 11.281 9.814 0.362 1.00 0.00 O ATOM 919 CB LYS A 593 13.129 7.403 1.764 1.00 0.00 C ATOM 920 CG LYS A 593 13.313 6.347 2.841 1.00 0.00 C ATOM 921 CD LYS A 593 13.067 4.949 2.300 1.00 0.00 C ATOM 922 CE LYS A 593 13.899 3.911 3.037 1.00 0.00 C ATOM 923 NZ LYS A 593 15.323 3.929 2.599 1.00 0.00 N ATOM 0 H LYS A 593 11.492 5.699 0.882 1.00 0.00 H new ATOM 0 HA LYS A 593 11.216 8.221 2.303 1.00 0.00 H new ATOM 0 HB2 LYS A 593 13.625 7.070 0.852 1.00 0.00 H new ATOM 0 HB3 LYS A 593 13.624 8.322 2.079 1.00 0.00 H new ATOM 0 HG2 LYS A 593 14.324 6.409 3.244 1.00 0.00 H new ATOM 0 HG3 LYS A 593 12.628 6.544 3.666 1.00 0.00 H new ATOM 0 HD2 LYS A 593 12.009 4.702 2.394 1.00 0.00 H new ATOM 0 HD3 LYS A 593 13.308 4.922 1.237 1.00 0.00 H new ATOM 0 HE2 LYS A 593 13.846 4.098 4.110 1.00 0.00 H new ATOM 0 HE3 LYS A 593 13.479 2.920 2.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 593 15.838 3.153 3.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 593 15.370 3.810 1.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 593 15.756 4.837 2.863 1.00 0.00 H new ATOM 937 N ASN A 594 11.820 8.063 -0.943 1.00 0.00 N ATOM 938 CA ASN A 594 11.766 8.830 -2.183 1.00 0.00 C ATOM 939 C ASN A 594 10.846 8.158 -3.197 1.00 0.00 C ATOM 940 O ASN A 594 10.709 6.935 -3.211 1.00 0.00 O ATOM 941 CB ASN A 594 13.169 8.986 -2.773 1.00 0.00 C ATOM 942 CG ASN A 594 14.037 9.925 -1.958 1.00 0.00 C ATOM 943 OD1 ASN A 594 13.580 10.973 -1.503 1.00 0.00 O ATOM 944 ND2 ASN A 594 15.298 9.553 -1.773 1.00 0.00 N ATOM 0 H ASN A 594 12.061 7.080 -1.066 1.00 0.00 H new ATOM 0 HA ASN A 594 11.365 9.817 -1.954 1.00 0.00 H new ATOM 0 HB2 ASN A 594 13.648 8.008 -2.828 1.00 0.00 H new ATOM 0 HB3 ASN A 594 13.092 9.361 -3.794 1.00 0.00 H new ATOM 0 HD21 ASN A 594 15.931 10.145 -1.235 1.00 0.00 H new ATOM 0 HD22 ASN A 594 15.634 8.675 -2.169 1.00 0.00 H new ATOM 951 N GLU A 595 10.220 8.967 -4.046 1.00 0.00 N ATOM 952 CA GLU A 595 9.313 8.450 -5.064 1.00 0.00 C ATOM 953 C GLU A 595 9.985 7.351 -5.884 1.00 0.00 C ATOM 954 O GLU A 595 9.333 6.405 -6.324 1.00 0.00 O ATOM 955 CB GLU A 595 8.851 9.578 -5.989 1.00 0.00 C ATOM 956 CG GLU A 595 8.133 10.704 -5.262 1.00 0.00 C ATOM 957 CD GLU A 595 8.081 11.983 -6.074 1.00 0.00 C ATOM 958 OE1 GLU A 595 8.241 11.907 -7.310 1.00 0.00 O ATOM 959 OE2 GLU A 595 7.880 13.060 -5.475 1.00 0.00 O ATOM 0 H GLU A 595 10.324 9.982 -4.049 1.00 0.00 H new ATOM 0 HA GLU A 595 8.446 8.026 -4.558 1.00 0.00 H new ATOM 0 HB2 GLU A 595 9.716 9.987 -6.510 1.00 0.00 H new ATOM 0 HB3 GLU A 595 8.187 9.165 -6.748 1.00 0.00 H new ATOM 0 HG2 GLU A 595 7.117 10.388 -5.024 1.00 0.00 H new ATOM 0 HG3 GLU A 595 8.637 10.899 -4.315 1.00 0.00 H new ATOM 966 N ASP A 596 11.291 7.486 -6.084 1.00 0.00 N ATOM 967 CA ASP A 596 12.052 6.505 -6.849 1.00 0.00 C ATOM 968 C ASP A 596 11.598 5.087 -6.519 1.00 0.00 C ATOM 969 O ASP A 596 11.612 4.204 -7.378 1.00 0.00 O ATOM 970 CB ASP A 596 13.548 6.654 -6.565 1.00 0.00 C ATOM 971 CG ASP A 596 13.959 5.991 -5.266 1.00 0.00 C ATOM 972 OD1 ASP A 596 13.373 6.328 -4.215 1.00 0.00 O ATOM 973 OD2 ASP A 596 14.867 5.134 -5.298 1.00 0.00 O ATOM 0 H ASP A 596 11.845 8.265 -5.727 1.00 0.00 H new ATOM 0 HA ASP A 596 11.871 6.688 -7.908 1.00 0.00 H new ATOM 0 HB2 ASP A 596 14.116 6.219 -7.387 1.00 0.00 H new ATOM 0 HB3 ASP A 596 13.804 7.713 -6.526 1.00 0.00 H new ATOM 978 N ASP A 597 11.197 4.875 -5.271 1.00 0.00 N ATOM 979 CA ASP A 597 10.739 3.563 -4.826 1.00 0.00 C ATOM 980 C ASP A 597 9.218 3.467 -4.897 1.00 0.00 C ATOM 981 O ASP A 597 8.660 2.376 -5.001 1.00 0.00 O ATOM 982 CB ASP A 597 11.214 3.290 -3.398 1.00 0.00 C ATOM 983 CG ASP A 597 12.726 3.284 -3.282 1.00 0.00 C ATOM 984 OD1 ASP A 597 13.362 2.390 -3.878 1.00 0.00 O ATOM 985 OD2 ASP A 597 13.272 4.172 -2.595 1.00 0.00 O ATOM 0 H ASP A 597 11.180 5.595 -4.548 1.00 0.00 H new ATOM 0 HA ASP A 597 11.165 2.812 -5.491 1.00 0.00 H new ATOM 0 HB2 ASP A 597 10.804 4.048 -2.731 1.00 0.00 H new ATOM 0 HB3 ASP A 597 10.823 2.328 -3.066 1.00 0.00 H new ATOM 990 N ALA A 598 8.554 4.617 -4.841 1.00 0.00 N ATOM 991 CA ALA A 598 7.098 4.662 -4.900 1.00 0.00 C ATOM 992 C ALA A 598 6.595 4.345 -6.303 1.00 0.00 C ATOM 993 O ALA A 598 5.696 3.523 -6.480 1.00 0.00 O ATOM 994 CB ALA A 598 6.594 6.025 -4.452 1.00 0.00 C ATOM 0 H ALA A 598 9.001 5.530 -4.755 1.00 0.00 H new ATOM 0 HA ALA A 598 6.708 3.902 -4.223 1.00 0.00 H new ATOM 0 HB1 ALA A 598 5.505 6.044 -4.501 1.00 0.00 H new ATOM 0 HB2 ALA A 598 6.914 6.213 -3.427 1.00 0.00 H new ATOM 0 HB3 ALA A 598 7.001 6.796 -5.106 1.00 0.00 H new ATOM 1000 N ARG A 599 7.182 5.001 -7.299 1.00 0.00 N ATOM 1001 CA ARG A 599 6.791 4.790 -8.688 1.00 0.00 C ATOM 1002 C ARG A 599 6.910 3.317 -9.068 1.00 0.00 C ATOM 1003 O ARG A 599 6.397 2.888 -10.102 1.00 0.00 O ATOM 1004 CB ARG A 599 7.659 5.640 -9.618 1.00 0.00 C ATOM 1005 CG ARG A 599 7.452 7.135 -9.446 1.00 0.00 C ATOM 1006 CD ARG A 599 6.087 7.572 -9.954 1.00 0.00 C ATOM 1007 NE ARG A 599 6.039 7.635 -11.412 1.00 0.00 N ATOM 1008 CZ ARG A 599 5.697 6.606 -12.181 1.00 0.00 C ATOM 1009 NH1 ARG A 599 5.374 5.442 -11.633 1.00 0.00 N ATOM 1010 NH2 ARG A 599 5.678 6.741 -13.501 1.00 0.00 N ATOM 0 H ARG A 599 7.930 5.683 -7.170 1.00 0.00 H new ATOM 0 HA ARG A 599 5.749 5.092 -8.797 1.00 0.00 H new ATOM 0 HB2 ARG A 599 8.708 5.404 -9.439 1.00 0.00 H new ATOM 0 HB3 ARG A 599 7.443 5.368 -10.651 1.00 0.00 H new ATOM 0 HG2 ARG A 599 7.550 7.398 -8.393 1.00 0.00 H new ATOM 0 HG3 ARG A 599 8.231 7.675 -9.984 1.00 0.00 H new ATOM 0 HD2 ARG A 599 5.328 6.877 -9.596 1.00 0.00 H new ATOM 0 HD3 ARG A 599 5.843 8.551 -9.541 1.00 0.00 H new ATOM 0 HE ARG A 599 6.281 8.516 -11.865 1.00 0.00 H new ATOM 0 HH11 ARG A 599 5.388 5.335 -10.619 1.00 0.00 H new ATOM 0 HH12 ARG A 599 5.112 4.654 -12.226 1.00 0.00 H new ATOM 0 HH21 ARG A 599 5.926 7.635 -13.926 1.00 0.00 H new ATOM 0 HH22 ARG A 599 5.416 5.951 -14.091 1.00 0.00 H new ATOM 1024 N LYS A 600 7.591 2.547 -8.226 1.00 0.00 N ATOM 1025 CA LYS A 600 7.777 1.123 -8.471 1.00 0.00 C ATOM 1026 C LYS A 600 6.633 0.312 -7.871 1.00 0.00 C ATOM 1027 O LYS A 600 5.961 -0.446 -8.571 1.00 0.00 O ATOM 1028 CB LYS A 600 9.110 0.653 -7.886 1.00 0.00 C ATOM 1029 CG LYS A 600 10.307 0.969 -8.766 1.00 0.00 C ATOM 1030 CD LYS A 600 11.606 0.929 -7.979 1.00 0.00 C ATOM 1031 CE LYS A 600 12.805 0.721 -8.892 1.00 0.00 C ATOM 1032 NZ LYS A 600 13.988 0.212 -8.145 1.00 0.00 N ATOM 0 H LYS A 600 8.024 2.887 -7.367 1.00 0.00 H new ATOM 0 HA LYS A 600 7.784 0.965 -9.549 1.00 0.00 H new ATOM 0 HB2 LYS A 600 9.254 1.119 -6.911 1.00 0.00 H new ATOM 0 HB3 LYS A 600 9.065 -0.424 -7.721 1.00 0.00 H new ATOM 0 HG2 LYS A 600 10.356 0.253 -9.586 1.00 0.00 H new ATOM 0 HG3 LYS A 600 10.181 1.956 -9.212 1.00 0.00 H new ATOM 0 HD2 LYS A 600 11.726 1.860 -7.426 1.00 0.00 H new ATOM 0 HD3 LYS A 600 11.563 0.125 -7.244 1.00 0.00 H new ATOM 0 HE2 LYS A 600 12.543 0.016 -9.681 1.00 0.00 H new ATOM 0 HE3 LYS A 600 13.060 1.663 -9.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 600 14.784 0.083 -8.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 600 14.254 0.896 -7.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 600 13.753 -0.699 -7.703 1.00 0.00 H new ATOM 1046 N SER A 601 6.414 0.478 -6.570 1.00 0.00 N ATOM 1047 CA SER A 601 5.353 -0.239 -5.875 1.00 0.00 C ATOM 1048 C SER A 601 4.076 -0.261 -6.709 1.00 0.00 C ATOM 1049 O SER A 601 3.363 -1.263 -6.748 1.00 0.00 O ATOM 1050 CB SER A 601 5.077 0.405 -4.516 1.00 0.00 C ATOM 1051 OG SER A 601 4.428 1.656 -4.667 1.00 0.00 O ATOM 0 H SER A 601 6.958 1.104 -5.976 1.00 0.00 H new ATOM 0 HA SER A 601 5.684 -1.266 -5.721 1.00 0.00 H new ATOM 0 HB2 SER A 601 4.457 -0.260 -3.914 1.00 0.00 H new ATOM 0 HB3 SER A 601 6.015 0.541 -3.977 1.00 0.00 H new ATOM 0 HG SER A 601 4.933 2.213 -5.296 1.00 0.00 H new ATOM 1057 N GLU A 602 3.793 0.854 -7.376 1.00 0.00 N ATOM 1058 CA GLU A 602 2.601 0.965 -8.209 1.00 0.00 C ATOM 1059 C GLU A 602 2.715 0.075 -9.443 1.00 0.00 C ATOM 1060 O GLU A 602 1.724 -0.486 -9.911 1.00 0.00 O ATOM 1061 CB GLU A 602 2.381 2.418 -8.634 1.00 0.00 C ATOM 1062 CG GLU A 602 3.497 2.974 -9.503 1.00 0.00 C ATOM 1063 CD GLU A 602 3.481 2.403 -10.908 1.00 0.00 C ATOM 1064 OE1 GLU A 602 2.380 2.275 -11.485 1.00 0.00 O ATOM 1065 OE2 GLU A 602 4.569 2.085 -11.431 1.00 0.00 O ATOM 0 H GLU A 602 4.373 1.693 -7.356 1.00 0.00 H new ATOM 0 HA GLU A 602 1.746 0.633 -7.620 1.00 0.00 H new ATOM 0 HB2 GLU A 602 1.439 2.490 -9.177 1.00 0.00 H new ATOM 0 HB3 GLU A 602 2.283 3.038 -7.743 1.00 0.00 H new ATOM 0 HG2 GLU A 602 3.406 4.059 -9.555 1.00 0.00 H new ATOM 0 HG3 GLU A 602 4.458 2.756 -9.037 1.00 0.00 H new ATOM 1072 N ARG A 603 3.931 -0.051 -9.965 1.00 0.00 N ATOM 1073 CA ARG A 603 4.175 -0.871 -11.145 1.00 0.00 C ATOM 1074 C ARG A 603 3.593 -2.271 -10.964 1.00 0.00 C ATOM 1075 O ARG A 603 3.234 -2.935 -11.937 1.00 0.00 O ATOM 1076 CB ARG A 603 5.676 -0.964 -11.426 1.00 0.00 C ATOM 1077 CG ARG A 603 6.013 -1.749 -12.683 1.00 0.00 C ATOM 1078 CD ARG A 603 7.513 -1.950 -12.829 1.00 0.00 C ATOM 1079 NE ARG A 603 7.994 -3.075 -12.031 1.00 0.00 N ATOM 1080 CZ ARG A 603 7.765 -4.347 -12.340 1.00 0.00 C ATOM 1081 NH1 ARG A 603 7.064 -4.653 -13.423 1.00 0.00 N ATOM 1082 NH2 ARG A 603 8.236 -5.315 -11.564 1.00 0.00 N ATOM 0 H ARG A 603 4.762 0.405 -9.589 1.00 0.00 H new ATOM 0 HA ARG A 603 3.682 -0.398 -11.994 1.00 0.00 H new ATOM 0 HB2 ARG A 603 6.083 0.043 -11.517 1.00 0.00 H new ATOM 0 HB3 ARG A 603 6.168 -1.431 -10.573 1.00 0.00 H new ATOM 0 HG2 ARG A 603 5.516 -2.719 -12.652 1.00 0.00 H new ATOM 0 HG3 ARG A 603 5.629 -1.222 -13.556 1.00 0.00 H new ATOM 0 HD2 ARG A 603 7.756 -2.119 -13.878 1.00 0.00 H new ATOM 0 HD3 ARG A 603 8.032 -1.041 -12.524 1.00 0.00 H new ATOM 0 HE ARG A 603 8.535 -2.873 -11.190 1.00 0.00 H new ATOM 0 HH11 ARG A 603 6.699 -3.911 -14.021 1.00 0.00 H new ATOM 0 HH12 ARG A 603 6.889 -5.630 -13.658 1.00 0.00 H new ATOM 0 HH21 ARG A 603 8.774 -5.083 -10.729 1.00 0.00 H new ATOM 0 HH22 ARG A 603 8.060 -6.291 -11.802 1.00 0.00 H new ATOM 1096 N LEU A 604 3.504 -2.711 -9.715 1.00 0.00 N ATOM 1097 CA LEU A 604 2.967 -4.032 -9.406 1.00 0.00 C ATOM 1098 C LEU A 604 1.442 -4.002 -9.362 1.00 0.00 C ATOM 1099 O LEU A 604 0.809 -4.917 -8.834 1.00 0.00 O ATOM 1100 CB LEU A 604 3.518 -4.529 -8.068 1.00 0.00 C ATOM 1101 CG LEU A 604 5.041 -4.537 -7.931 1.00 0.00 C ATOM 1102 CD1 LEU A 604 5.446 -4.774 -6.484 1.00 0.00 C ATOM 1103 CD2 LEU A 604 5.653 -5.595 -8.838 1.00 0.00 C ATOM 0 H LEU A 604 3.796 -2.173 -8.899 1.00 0.00 H new ATOM 0 HA LEU A 604 3.277 -4.717 -10.195 1.00 0.00 H new ATOM 0 HB2 LEU A 604 3.105 -3.907 -7.274 1.00 0.00 H new ATOM 0 HB3 LEU A 604 3.153 -5.542 -7.901 1.00 0.00 H new ATOM 0 HG LEU A 604 5.419 -3.562 -8.237 1.00 0.00 H new ATOM 0 HD11 LEU A 604 6.533 -4.776 -6.406 1.00 0.00 H new ATOM 0 HD12 LEU A 604 5.039 -3.980 -5.858 1.00 0.00 H new ATOM 0 HD13 LEU A 604 5.056 -5.736 -6.150 1.00 0.00 H new ATOM 0 HD21 LEU A 604 6.737 -5.586 -8.727 1.00 0.00 H new ATOM 0 HD22 LEU A 604 5.268 -6.577 -8.563 1.00 0.00 H new ATOM 0 HD23 LEU A 604 5.392 -5.381 -9.874 1.00 0.00 H new ATOM 1115 N HIS A 605 0.859 -2.948 -9.922 1.00 0.00 N ATOM 1116 CA HIS A 605 -0.591 -2.800 -9.949 1.00 0.00 C ATOM 1117 C HIS A 605 -1.238 -3.935 -10.737 1.00 0.00 C ATOM 1118 O HIS A 605 -0.629 -4.495 -11.649 1.00 0.00 O ATOM 1119 CB HIS A 605 -0.977 -1.453 -10.561 1.00 0.00 C ATOM 1120 CG HIS A 605 -2.455 -1.216 -10.603 1.00 0.00 C ATOM 1121 ND1 HIS A 605 -3.311 -1.623 -9.602 1.00 0.00 N ATOM 1122 CD2 HIS A 605 -3.229 -0.608 -11.532 1.00 0.00 C ATOM 1123 CE1 HIS A 605 -4.547 -1.276 -9.914 1.00 0.00 C ATOM 1124 NE2 HIS A 605 -4.524 -0.659 -11.082 1.00 0.00 N ATOM 0 H HIS A 605 1.369 -2.183 -10.364 1.00 0.00 H new ATOM 0 HA HIS A 605 -0.955 -2.841 -8.922 1.00 0.00 H new ATOM 0 HB2 HIS A 605 -0.505 -0.654 -9.988 1.00 0.00 H new ATOM 0 HB3 HIS A 605 -0.579 -1.396 -11.574 1.00 0.00 H new ATOM 0 HD2 HIS A 605 -2.890 -0.165 -12.457 1.00 0.00 H new ATOM 0 HE1 HIS A 605 -5.426 -1.465 -9.316 1.00 0.00 H new ATOM 0 HE2 HIS A 605 -5.337 -0.282 -11.570 1.00 0.00 H new ATOM 1132 N ARG A 606 -2.474 -4.269 -10.380 1.00 0.00 N ATOM 1133 CA ARG A 606 -3.202 -5.338 -11.053 1.00 0.00 C ATOM 1134 C ARG A 606 -2.365 -6.613 -11.110 1.00 0.00 C ATOM 1135 O ARG A 606 -2.329 -7.299 -12.131 1.00 0.00 O ATOM 1136 CB ARG A 606 -3.590 -4.906 -12.468 1.00 0.00 C ATOM 1137 CG ARG A 606 -4.475 -3.672 -12.507 1.00 0.00 C ATOM 1138 CD ARG A 606 -5.280 -3.604 -13.796 1.00 0.00 C ATOM 1139 NE ARG A 606 -6.287 -4.659 -13.870 1.00 0.00 N ATOM 1140 CZ ARG A 606 -7.154 -4.779 -14.868 1.00 0.00 C ATOM 1141 NH1 ARG A 606 -7.136 -3.915 -15.873 1.00 0.00 N ATOM 1142 NH2 ARG A 606 -8.040 -5.766 -14.864 1.00 0.00 N ATOM 0 H ARG A 606 -2.992 -3.814 -9.628 1.00 0.00 H new ATOM 0 HA ARG A 606 -4.107 -5.544 -10.482 1.00 0.00 H new ATOM 0 HB2 ARG A 606 -2.683 -4.711 -13.040 1.00 0.00 H new ATOM 0 HB3 ARG A 606 -4.107 -5.729 -12.961 1.00 0.00 H new ATOM 0 HG2 ARG A 606 -5.153 -3.682 -11.654 1.00 0.00 H new ATOM 0 HG3 ARG A 606 -3.859 -2.778 -12.414 1.00 0.00 H new ATOM 0 HD2 ARG A 606 -5.768 -2.632 -13.868 1.00 0.00 H new ATOM 0 HD3 ARG A 606 -4.606 -3.686 -14.649 1.00 0.00 H new ATOM 0 HE ARG A 606 -6.326 -5.341 -13.113 1.00 0.00 H new ATOM 0 HH11 ARG A 606 -6.455 -3.156 -15.881 1.00 0.00 H new ATOM 0 HH12 ARG A 606 -7.803 -4.009 -16.639 1.00 0.00 H new ATOM 0 HH21 ARG A 606 -8.056 -6.434 -14.093 1.00 0.00 H new ATOM 0 HH22 ARG A 606 -8.706 -5.857 -15.632 1.00 0.00 H new ATOM 1156 N LYS A 607 -1.693 -6.923 -10.007 1.00 0.00 N ATOM 1157 CA LYS A 607 -0.857 -8.115 -9.928 1.00 0.00 C ATOM 1158 C LYS A 607 -1.607 -9.263 -9.260 1.00 0.00 C ATOM 1159 O LYS A 607 -2.551 -9.043 -8.501 1.00 0.00 O ATOM 1160 CB LYS A 607 0.428 -7.812 -9.156 1.00 0.00 C ATOM 1161 CG LYS A 607 1.555 -7.290 -10.030 1.00 0.00 C ATOM 1162 CD LYS A 607 2.208 -8.408 -10.825 1.00 0.00 C ATOM 1163 CE LYS A 607 3.498 -7.945 -11.484 1.00 0.00 C ATOM 1164 NZ LYS A 607 3.237 -7.159 -12.723 1.00 0.00 N ATOM 0 H LYS A 607 -1.711 -6.364 -9.154 1.00 0.00 H new ATOM 0 HA LYS A 607 -0.600 -8.416 -10.944 1.00 0.00 H new ATOM 0 HB2 LYS A 607 0.211 -7.077 -8.380 1.00 0.00 H new ATOM 0 HB3 LYS A 607 0.761 -8.719 -8.652 1.00 0.00 H new ATOM 0 HG2 LYS A 607 1.167 -6.535 -10.714 1.00 0.00 H new ATOM 0 HG3 LYS A 607 2.303 -6.801 -9.407 1.00 0.00 H new ATOM 0 HD2 LYS A 607 2.417 -9.250 -10.166 1.00 0.00 H new ATOM 0 HD3 LYS A 607 1.516 -8.765 -11.588 1.00 0.00 H new ATOM 0 HE2 LYS A 607 4.067 -7.337 -10.781 1.00 0.00 H new ATOM 0 HE3 LYS A 607 4.113 -8.811 -11.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 607 4.141 -6.862 -13.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 607 2.716 -7.748 -13.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 607 2.671 -6.318 -12.488 1.00 0.00 H new ATOM 1178 N LYS A 608 -1.180 -10.488 -9.545 1.00 0.00 N ATOM 1179 CA LYS A 608 -1.808 -11.671 -8.969 1.00 0.00 C ATOM 1180 C LYS A 608 -1.014 -12.181 -7.771 1.00 0.00 C ATOM 1181 O LYS A 608 0.094 -12.699 -7.923 1.00 0.00 O ATOM 1182 CB LYS A 608 -1.927 -12.775 -10.022 1.00 0.00 C ATOM 1183 CG LYS A 608 -2.857 -12.422 -11.170 1.00 0.00 C ATOM 1184 CD LYS A 608 -2.912 -13.533 -12.205 1.00 0.00 C ATOM 1185 CE LYS A 608 -3.313 -13.002 -13.573 1.00 0.00 C ATOM 1186 NZ LYS A 608 -2.137 -12.512 -14.344 1.00 0.00 N ATOM 0 H LYS A 608 -0.401 -10.688 -10.172 1.00 0.00 H new ATOM 0 HA LYS A 608 -2.805 -11.392 -8.629 1.00 0.00 H new ATOM 0 HB2 LYS A 608 -0.937 -12.993 -10.422 1.00 0.00 H new ATOM 0 HB3 LYS A 608 -2.285 -13.686 -9.542 1.00 0.00 H new ATOM 0 HG2 LYS A 608 -3.859 -12.234 -10.783 1.00 0.00 H new ATOM 0 HG3 LYS A 608 -2.519 -11.500 -11.643 1.00 0.00 H new ATOM 0 HD2 LYS A 608 -1.938 -14.017 -12.273 1.00 0.00 H new ATOM 0 HD3 LYS A 608 -3.624 -14.294 -11.886 1.00 0.00 H new ATOM 0 HE2 LYS A 608 -3.814 -13.790 -14.136 1.00 0.00 H new ATOM 0 HE3 LYS A 608 -4.031 -12.191 -13.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 608 -2.452 -12.158 -15.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 608 -1.674 -11.743 -13.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 608 -1.463 -13.292 -14.482 1.00 0.00 H new ATOM 1200 N LEU A 609 -1.585 -12.032 -6.581 1.00 0.00 N ATOM 1201 CA LEU A 609 -0.930 -12.479 -5.356 1.00 0.00 C ATOM 1202 C LEU A 609 -1.662 -13.673 -4.752 1.00 0.00 C ATOM 1203 O LEU A 609 -2.799 -13.551 -4.296 1.00 0.00 O ATOM 1204 CB LEU A 609 -0.869 -11.337 -4.341 1.00 0.00 C ATOM 1205 CG LEU A 609 0.093 -11.531 -3.168 1.00 0.00 C ATOM 1206 CD1 LEU A 609 0.167 -10.269 -2.323 1.00 0.00 C ATOM 1207 CD2 LEU A 609 -0.335 -12.719 -2.320 1.00 0.00 C ATOM 0 H LEU A 609 -2.500 -11.605 -6.438 1.00 0.00 H new ATOM 0 HA LEU A 609 0.085 -12.788 -5.608 1.00 0.00 H new ATOM 0 HB2 LEU A 609 -0.589 -10.425 -4.867 1.00 0.00 H new ATOM 0 HB3 LEU A 609 -1.871 -11.179 -3.941 1.00 0.00 H new ATOM 0 HG LEU A 609 1.087 -11.734 -3.567 1.00 0.00 H new ATOM 0 HD11 LEU A 609 0.856 -10.426 -1.493 1.00 0.00 H new ATOM 0 HD12 LEU A 609 0.521 -9.441 -2.937 1.00 0.00 H new ATOM 0 HD13 LEU A 609 -0.823 -10.034 -1.932 1.00 0.00 H new ATOM 0 HD21 LEU A 609 0.360 -12.843 -1.490 1.00 0.00 H new ATOM 0 HD22 LEU A 609 -1.338 -12.545 -1.930 1.00 0.00 H new ATOM 0 HD23 LEU A 609 -0.334 -13.621 -2.931 1.00 0.00 H new ATOM 1219 N ASN A 610 -1.003 -14.826 -4.750 1.00 0.00 N ATOM 1220 CA ASN A 610 -1.590 -16.042 -4.200 1.00 0.00 C ATOM 1221 C ASN A 610 -2.858 -16.424 -4.956 1.00 0.00 C ATOM 1222 O ASN A 610 -3.823 -16.911 -4.367 1.00 0.00 O ATOM 1223 CB ASN A 610 -1.906 -15.853 -2.714 1.00 0.00 C ATOM 1224 CG ASN A 610 -2.070 -17.174 -1.986 1.00 0.00 C ATOM 1225 OD1 ASN A 610 -2.615 -18.133 -2.533 1.00 0.00 O ATOM 1226 ND2 ASN A 610 -1.601 -17.228 -0.745 1.00 0.00 N ATOM 0 H ASN A 610 -0.061 -14.944 -5.123 1.00 0.00 H new ATOM 0 HA ASN A 610 -0.865 -16.848 -4.311 1.00 0.00 H new ATOM 0 HB2 ASN A 610 -1.106 -15.280 -2.245 1.00 0.00 H new ATOM 0 HB3 ASN A 610 -2.820 -15.268 -2.611 1.00 0.00 H new ATOM 0 HD21 ASN A 610 -1.685 -18.089 -0.205 1.00 0.00 H new ATOM 0 HD22 ASN A 610 -1.156 -16.408 -0.332 1.00 0.00 H new ATOM 1233 N GLY A 611 -2.850 -16.199 -6.266 1.00 0.00 N ATOM 1234 CA GLY A 611 -4.005 -16.526 -7.083 1.00 0.00 C ATOM 1235 C GLY A 611 -5.136 -15.531 -6.911 1.00 0.00 C ATOM 1236 O GLY A 611 -6.278 -15.811 -7.275 1.00 0.00 O ATOM 0 H GLY A 611 -2.064 -15.796 -6.777 1.00 0.00 H new ATOM 0 HA2 GLY A 611 -3.708 -16.556 -8.131 1.00 0.00 H new ATOM 0 HA3 GLY A 611 -4.360 -17.523 -6.823 1.00 0.00 H new ATOM 1240 N ARG A 612 -4.819 -14.367 -6.353 1.00 0.00 N ATOM 1241 CA ARG A 612 -5.819 -13.330 -6.131 1.00 0.00 C ATOM 1242 C ARG A 612 -5.284 -11.963 -6.547 1.00 0.00 C ATOM 1243 O ARG A 612 -4.313 -11.466 -5.979 1.00 0.00 O ATOM 1244 CB ARG A 612 -6.235 -13.299 -4.659 1.00 0.00 C ATOM 1245 CG ARG A 612 -7.402 -14.217 -4.336 1.00 0.00 C ATOM 1246 CD ARG A 612 -8.185 -13.721 -3.131 1.00 0.00 C ATOM 1247 NE ARG A 612 -9.517 -14.315 -3.061 1.00 0.00 N ATOM 1248 CZ ARG A 612 -9.741 -15.577 -2.710 1.00 0.00 C ATOM 1249 NH1 ARG A 612 -8.727 -16.372 -2.399 1.00 0.00 N ATOM 1250 NH2 ARG A 612 -10.982 -16.044 -2.670 1.00 0.00 N ATOM 0 H ARG A 612 -3.878 -14.119 -6.047 1.00 0.00 H new ATOM 0 HA ARG A 612 -6.690 -13.563 -6.743 1.00 0.00 H new ATOM 0 HB2 ARG A 612 -5.381 -13.581 -4.043 1.00 0.00 H new ATOM 0 HB3 ARG A 612 -6.501 -12.278 -4.387 1.00 0.00 H new ATOM 0 HG2 ARG A 612 -8.064 -14.283 -5.199 1.00 0.00 H new ATOM 0 HG3 ARG A 612 -7.031 -15.223 -4.141 1.00 0.00 H new ATOM 0 HD2 ARG A 612 -7.635 -13.956 -2.220 1.00 0.00 H new ATOM 0 HD3 ARG A 612 -8.274 -12.636 -3.178 1.00 0.00 H new ATOM 0 HE ARG A 612 -10.319 -13.730 -3.294 1.00 0.00 H new ATOM 0 HH11 ARG A 612 -7.772 -16.016 -2.429 1.00 0.00 H new ATOM 0 HH12 ARG A 612 -8.902 -17.340 -2.130 1.00 0.00 H new ATOM 0 HH21 ARG A 612 -11.764 -15.434 -2.909 1.00 0.00 H new ATOM 0 HH22 ARG A 612 -11.154 -17.013 -2.401 1.00 0.00 H new ATOM 1264 N GLU A 613 -5.926 -11.361 -7.545 1.00 0.00 N ATOM 1265 CA GLU A 613 -5.514 -10.053 -8.039 1.00 0.00 C ATOM 1266 C GLU A 613 -5.427 -9.043 -6.897 1.00 0.00 C ATOM 1267 O GLU A 613 -6.184 -9.117 -5.931 1.00 0.00 O ATOM 1268 CB GLU A 613 -6.493 -9.553 -9.103 1.00 0.00 C ATOM 1269 CG GLU A 613 -6.516 -10.409 -10.358 1.00 0.00 C ATOM 1270 CD GLU A 613 -7.515 -11.547 -10.270 1.00 0.00 C ATOM 1271 OE1 GLU A 613 -8.706 -11.317 -10.566 1.00 0.00 O ATOM 1272 OE2 GLU A 613 -7.104 -12.668 -9.905 1.00 0.00 O ATOM 0 H GLU A 613 -6.733 -11.759 -8.026 1.00 0.00 H new ATOM 0 HA GLU A 613 -4.525 -10.157 -8.486 1.00 0.00 H new ATOM 0 HB2 GLU A 613 -7.496 -9.521 -8.676 1.00 0.00 H new ATOM 0 HB3 GLU A 613 -6.230 -8.531 -9.375 1.00 0.00 H new ATOM 0 HG2 GLU A 613 -6.759 -9.783 -11.216 1.00 0.00 H new ATOM 0 HG3 GLU A 613 -5.521 -10.817 -10.533 1.00 0.00 H new ATOM 1279 N ALA A 614 -4.498 -8.101 -7.018 1.00 0.00 N ATOM 1280 CA ALA A 614 -4.312 -7.076 -5.999 1.00 0.00 C ATOM 1281 C ALA A 614 -4.154 -5.697 -6.629 1.00 0.00 C ATOM 1282 O ALA A 614 -3.406 -5.526 -7.592 1.00 0.00 O ATOM 1283 CB ALA A 614 -3.104 -7.404 -5.134 1.00 0.00 C ATOM 0 H ALA A 614 -3.862 -8.026 -7.812 1.00 0.00 H new ATOM 0 HA ALA A 614 -5.202 -7.059 -5.370 1.00 0.00 H new ATOM 0 HB1 ALA A 614 -2.977 -6.630 -4.377 1.00 0.00 H new ATOM 0 HB2 ALA A 614 -3.256 -8.367 -4.646 1.00 0.00 H new ATOM 0 HB3 ALA A 614 -2.212 -7.451 -5.758 1.00 0.00 H new ATOM 1289 N PHE A 615 -4.865 -4.716 -6.081 1.00 0.00 N ATOM 1290 CA PHE A 615 -4.805 -3.352 -6.592 1.00 0.00 C ATOM 1291 C PHE A 615 -3.923 -2.477 -5.705 1.00 0.00 C ATOM 1292 O PHE A 615 -4.102 -2.428 -4.488 1.00 0.00 O ATOM 1293 CB PHE A 615 -6.211 -2.755 -6.679 1.00 0.00 C ATOM 1294 CG PHE A 615 -7.140 -3.535 -7.565 1.00 0.00 C ATOM 1295 CD1 PHE A 615 -6.695 -4.053 -8.771 1.00 0.00 C ATOM 1296 CD2 PHE A 615 -8.457 -3.751 -7.192 1.00 0.00 C ATOM 1297 CE1 PHE A 615 -7.547 -4.770 -9.589 1.00 0.00 C ATOM 1298 CE2 PHE A 615 -9.313 -4.468 -8.006 1.00 0.00 C ATOM 1299 CZ PHE A 615 -8.857 -4.980 -9.205 1.00 0.00 C ATOM 0 H PHE A 615 -5.489 -4.841 -5.284 1.00 0.00 H new ATOM 0 HA PHE A 615 -4.369 -3.384 -7.590 1.00 0.00 H new ATOM 0 HB2 PHE A 615 -6.637 -2.702 -5.677 1.00 0.00 H new ATOM 0 HB3 PHE A 615 -6.141 -1.733 -7.050 1.00 0.00 H new ATOM 0 HD1 PHE A 615 -5.671 -3.894 -9.075 1.00 0.00 H new ATOM 0 HD2 PHE A 615 -8.818 -3.355 -6.255 1.00 0.00 H new ATOM 0 HE1 PHE A 615 -7.189 -5.166 -10.528 1.00 0.00 H new ATOM 0 HE2 PHE A 615 -10.338 -4.628 -7.705 1.00 0.00 H new ATOM 0 HZ PHE A 615 -9.524 -5.544 -9.841 1.00 0.00 H new ATOM 1309 N VAL A 616 -2.969 -1.788 -6.324 1.00 0.00 N ATOM 1310 CA VAL A 616 -2.060 -0.915 -5.591 1.00 0.00 C ATOM 1311 C VAL A 616 -2.281 0.546 -5.966 1.00 0.00 C ATOM 1312 O VAL A 616 -2.287 0.902 -7.144 1.00 0.00 O ATOM 1313 CB VAL A 616 -0.589 -1.286 -5.860 1.00 0.00 C ATOM 1314 CG1 VAL A 616 0.337 -0.485 -4.957 1.00 0.00 C ATOM 1315 CG2 VAL A 616 -0.373 -2.780 -5.669 1.00 0.00 C ATOM 0 H VAL A 616 -2.806 -1.818 -7.330 1.00 0.00 H new ATOM 0 HA VAL A 616 -2.274 -1.051 -4.531 1.00 0.00 H new ATOM 0 HB VAL A 616 -0.353 -1.038 -6.895 1.00 0.00 H new ATOM 0 HG11 VAL A 616 1.372 -0.760 -5.161 1.00 0.00 H new ATOM 0 HG12 VAL A 616 0.200 0.579 -5.148 1.00 0.00 H new ATOM 0 HG13 VAL A 616 0.103 -0.699 -3.914 1.00 0.00 H new ATOM 0 HG21 VAL A 616 0.671 -3.024 -5.863 1.00 0.00 H new ATOM 0 HG22 VAL A 616 -0.626 -3.056 -4.645 1.00 0.00 H new ATOM 0 HG23 VAL A 616 -1.009 -3.331 -6.362 1.00 0.00 H new ATOM 1325 N HIS A 617 -2.461 1.389 -4.954 1.00 0.00 N ATOM 1326 CA HIS A 617 -2.682 2.814 -5.177 1.00 0.00 C ATOM 1327 C HIS A 617 -1.495 3.632 -4.677 1.00 0.00 C ATOM 1328 O HIS A 617 -0.721 3.173 -3.836 1.00 0.00 O ATOM 1329 CB HIS A 617 -3.962 3.269 -4.473 1.00 0.00 C ATOM 1330 CG HIS A 617 -5.215 2.836 -5.170 1.00 0.00 C ATOM 1331 ND1 HIS A 617 -5.735 1.564 -5.061 1.00 0.00 N ATOM 1332 CD2 HIS A 617 -6.053 3.516 -5.987 1.00 0.00 C ATOM 1333 CE1 HIS A 617 -6.839 1.479 -5.783 1.00 0.00 C ATOM 1334 NE2 HIS A 617 -7.054 2.650 -6.355 1.00 0.00 N ATOM 0 H HIS A 617 -2.458 1.111 -3.973 1.00 0.00 H new ATOM 0 HA HIS A 617 -2.788 2.977 -6.250 1.00 0.00 H new ATOM 0 HB2 HIS A 617 -3.967 2.876 -3.456 1.00 0.00 H new ATOM 0 HB3 HIS A 617 -3.957 4.356 -4.394 1.00 0.00 H new ATOM 0 HD2 HIS A 617 -5.953 4.547 -6.293 1.00 0.00 H new ATOM 0 HE1 HIS A 617 -7.460 0.601 -5.887 1.00 0.00 H new ATOM 0 HE2 HIS A 617 -7.836 2.875 -6.970 1.00 0.00 H new ATOM 1342 N VAL A 618 -1.356 4.845 -5.202 1.00 0.00 N ATOM 1343 CA VAL A 618 -0.262 5.727 -4.810 1.00 0.00 C ATOM 1344 C VAL A 618 -0.790 6.988 -4.135 1.00 0.00 C ATOM 1345 O VAL A 618 -1.539 7.759 -4.733 1.00 0.00 O ATOM 1346 CB VAL A 618 0.598 6.129 -6.024 1.00 0.00 C ATOM 1347 CG1 VAL A 618 1.596 7.208 -5.636 1.00 0.00 C ATOM 1348 CG2 VAL A 618 1.308 4.913 -6.598 1.00 0.00 C ATOM 0 H VAL A 618 -1.987 5.240 -5.900 1.00 0.00 H new ATOM 0 HA VAL A 618 0.356 5.172 -4.105 1.00 0.00 H new ATOM 0 HB VAL A 618 -0.057 6.535 -6.795 1.00 0.00 H new ATOM 0 HG11 VAL A 618 2.195 7.480 -6.505 1.00 0.00 H new ATOM 0 HG12 VAL A 618 1.060 8.086 -5.276 1.00 0.00 H new ATOM 0 HG13 VAL A 618 2.249 6.833 -4.848 1.00 0.00 H new ATOM 0 HG21 VAL A 618 1.911 5.214 -7.455 1.00 0.00 H new ATOM 0 HG22 VAL A 618 1.953 4.475 -5.836 1.00 0.00 H new ATOM 0 HG23 VAL A 618 0.570 4.177 -6.915 1.00 0.00 H new ATOM 1358 N VAL A 619 -0.391 7.192 -2.883 1.00 0.00 N ATOM 1359 CA VAL A 619 -0.821 8.360 -2.125 1.00 0.00 C ATOM 1360 C VAL A 619 0.360 9.038 -1.441 1.00 0.00 C ATOM 1361 O VAL A 619 1.492 8.558 -1.513 1.00 0.00 O ATOM 1362 CB VAL A 619 -1.870 7.984 -1.060 1.00 0.00 C ATOM 1363 CG1 VAL A 619 -3.151 7.499 -1.721 1.00 0.00 C ATOM 1364 CG2 VAL A 619 -1.315 6.929 -0.116 1.00 0.00 C ATOM 0 H VAL A 619 0.229 6.563 -2.373 1.00 0.00 H new ATOM 0 HA VAL A 619 -1.269 9.051 -2.838 1.00 0.00 H new ATOM 0 HB VAL A 619 -2.105 8.874 -0.476 1.00 0.00 H new ATOM 0 HG11 VAL A 619 -3.880 7.238 -0.954 1.00 0.00 H new ATOM 0 HG12 VAL A 619 -3.556 8.289 -2.353 1.00 0.00 H new ATOM 0 HG13 VAL A 619 -2.936 6.621 -2.331 1.00 0.00 H new ATOM 0 HG21 VAL A 619 -2.069 6.675 0.630 1.00 0.00 H new ATOM 0 HG22 VAL A 619 -1.050 6.036 -0.683 1.00 0.00 H new ATOM 0 HG23 VAL A 619 -0.428 7.318 0.383 1.00 0.00 H new ATOM 1374 N THR A 620 0.090 10.157 -0.776 1.00 0.00 N ATOM 1375 CA THR A 620 1.131 10.902 -0.078 1.00 0.00 C ATOM 1376 C THR A 620 1.219 10.486 1.385 1.00 0.00 C ATOM 1377 O THR A 620 0.276 9.916 1.936 1.00 0.00 O ATOM 1378 CB THR A 620 0.883 12.420 -0.156 1.00 0.00 C ATOM 1379 OG1 THR A 620 -0.460 12.717 0.242 1.00 0.00 O ATOM 1380 CG2 THR A 620 1.126 12.938 -1.565 1.00 0.00 C ATOM 0 H THR A 620 -0.841 10.567 -0.706 1.00 0.00 H new ATOM 0 HA THR A 620 2.073 10.670 -0.575 1.00 0.00 H new ATOM 0 HB THR A 620 1.581 12.915 0.520 1.00 0.00 H new ATOM 0 HG1 THR A 620 -0.610 13.684 0.191 1.00 0.00 H new ATOM 0 HG21 THR A 620 0.944 14.012 -1.594 1.00 0.00 H new ATOM 0 HG22 THR A 620 2.158 12.737 -1.854 1.00 0.00 H new ATOM 0 HG23 THR A 620 0.451 12.437 -2.258 1.00 0.00 H new ATOM 1388 N LEU A 621 2.355 10.773 2.010 1.00 0.00 N ATOM 1389 CA LEU A 621 2.566 10.429 3.413 1.00 0.00 C ATOM 1390 C LEU A 621 1.383 10.877 4.265 1.00 0.00 C ATOM 1391 O LEU A 621 0.866 10.110 5.076 1.00 0.00 O ATOM 1392 CB LEU A 621 3.854 11.073 3.927 1.00 0.00 C ATOM 1393 CG LEU A 621 4.246 10.731 5.365 1.00 0.00 C ATOM 1394 CD1 LEU A 621 4.067 9.244 5.628 1.00 0.00 C ATOM 1395 CD2 LEU A 621 5.682 11.153 5.641 1.00 0.00 C ATOM 0 H LEU A 621 3.145 11.243 1.568 1.00 0.00 H new ATOM 0 HA LEU A 621 2.655 9.345 3.489 1.00 0.00 H new ATOM 0 HB2 LEU A 621 4.672 10.779 3.269 1.00 0.00 H new ATOM 0 HB3 LEU A 621 3.753 12.155 3.846 1.00 0.00 H new ATOM 0 HG LEU A 621 3.590 11.280 6.040 1.00 0.00 H new ATOM 0 HD11 LEU A 621 4.351 9.020 6.656 1.00 0.00 H new ATOM 0 HD12 LEU A 621 3.024 8.970 5.471 1.00 0.00 H new ATOM 0 HD13 LEU A 621 4.698 8.675 4.945 1.00 0.00 H new ATOM 0 HD21 LEU A 621 5.944 10.902 6.669 1.00 0.00 H new ATOM 0 HD22 LEU A 621 6.352 10.631 4.958 1.00 0.00 H new ATOM 0 HD23 LEU A 621 5.780 12.229 5.494 1.00 0.00 H new ATOM 1407 N GLU A 622 0.960 12.123 4.076 1.00 0.00 N ATOM 1408 CA GLU A 622 -0.162 12.671 4.828 1.00 0.00 C ATOM 1409 C GLU A 622 -1.406 11.803 4.659 1.00 0.00 C ATOM 1410 O GLU A 622 -2.115 11.522 5.626 1.00 0.00 O ATOM 1411 CB GLU A 622 -0.460 14.102 4.373 1.00 0.00 C ATOM 1412 CG GLU A 622 -1.445 14.833 5.268 1.00 0.00 C ATOM 1413 CD GLU A 622 -2.080 16.027 4.584 1.00 0.00 C ATOM 1414 OE1 GLU A 622 -2.338 15.944 3.365 1.00 0.00 O ATOM 1415 OE2 GLU A 622 -2.320 17.046 5.268 1.00 0.00 O ATOM 0 H GLU A 622 1.378 12.772 3.409 1.00 0.00 H new ATOM 0 HA GLU A 622 0.112 12.682 5.883 1.00 0.00 H new ATOM 0 HB2 GLU A 622 0.473 14.665 4.338 1.00 0.00 H new ATOM 0 HB3 GLU A 622 -0.855 14.076 3.357 1.00 0.00 H new ATOM 0 HG2 GLU A 622 -2.226 14.141 5.583 1.00 0.00 H new ATOM 0 HG3 GLU A 622 -0.932 15.166 6.170 1.00 0.00 H new ATOM 1422 N ASP A 623 -1.664 11.383 3.426 1.00 0.00 N ATOM 1423 CA ASP A 623 -2.821 10.547 3.129 1.00 0.00 C ATOM 1424 C ASP A 623 -2.703 9.191 3.819 1.00 0.00 C ATOM 1425 O ASP A 623 -3.630 8.745 4.495 1.00 0.00 O ATOM 1426 CB ASP A 623 -2.964 10.354 1.619 1.00 0.00 C ATOM 1427 CG ASP A 623 -3.660 11.522 0.949 1.00 0.00 C ATOM 1428 OD1 ASP A 623 -4.556 12.121 1.580 1.00 0.00 O ATOM 1429 OD2 ASP A 623 -3.307 11.838 -0.206 1.00 0.00 O ATOM 0 H ASP A 623 -1.087 11.608 2.615 1.00 0.00 H new ATOM 0 HA ASP A 623 -3.710 11.052 3.508 1.00 0.00 H new ATOM 0 HB2 ASP A 623 -1.976 10.222 1.178 1.00 0.00 H new ATOM 0 HB3 ASP A 623 -3.525 9.440 1.424 1.00 0.00 H new ATOM 1434 N MET A 624 -1.557 8.541 3.643 1.00 0.00 N ATOM 1435 CA MET A 624 -1.318 7.236 4.248 1.00 0.00 C ATOM 1436 C MET A 624 -1.587 7.276 5.749 1.00 0.00 C ATOM 1437 O MET A 624 -2.289 6.420 6.286 1.00 0.00 O ATOM 1438 CB MET A 624 0.121 6.785 3.988 1.00 0.00 C ATOM 1439 CG MET A 624 0.283 5.275 3.930 1.00 0.00 C ATOM 1440 SD MET A 624 1.918 4.731 4.462 1.00 0.00 S ATOM 1441 CE MET A 624 1.716 4.741 6.241 1.00 0.00 C ATOM 0 H MET A 624 -0.780 8.897 3.087 1.00 0.00 H new ATOM 0 HA MET A 624 -2.003 6.521 3.792 1.00 0.00 H new ATOM 0 HB2 MET A 624 0.464 7.215 3.047 1.00 0.00 H new ATOM 0 HB3 MET A 624 0.765 7.181 4.773 1.00 0.00 H new ATOM 0 HG2 MET A 624 -0.474 4.808 4.560 1.00 0.00 H new ATOM 0 HG3 MET A 624 0.104 4.933 2.910 1.00 0.00 H new ATOM 0 HE1 MET A 624 2.646 4.426 6.715 1.00 0.00 H new ATOM 0 HE2 MET A 624 1.462 5.748 6.573 1.00 0.00 H new ATOM 0 HE3 MET A 624 0.916 4.055 6.520 1.00 0.00 H new ATOM 1451 N ARG A 625 -1.023 8.275 6.421 1.00 0.00 N ATOM 1452 CA ARG A 625 -1.201 8.425 7.859 1.00 0.00 C ATOM 1453 C ARG A 625 -2.681 8.385 8.231 1.00 0.00 C ATOM 1454 O ARG A 625 -3.107 7.554 9.033 1.00 0.00 O ATOM 1455 CB ARG A 625 -0.579 9.738 8.339 1.00 0.00 C ATOM 1456 CG ARG A 625 -0.150 9.712 9.796 1.00 0.00 C ATOM 1457 CD ARG A 625 -1.302 10.072 10.722 1.00 0.00 C ATOM 1458 NE ARG A 625 -0.862 10.234 12.106 1.00 0.00 N ATOM 1459 CZ ARG A 625 -0.252 11.322 12.560 1.00 0.00 C ATOM 1460 NH1 ARG A 625 -0.010 12.340 11.745 1.00 0.00 N ATOM 1461 NH2 ARG A 625 0.118 11.394 13.832 1.00 0.00 N ATOM 0 H ARG A 625 -0.439 8.992 5.991 1.00 0.00 H new ATOM 0 HA ARG A 625 -0.697 7.592 8.350 1.00 0.00 H new ATOM 0 HB2 ARG A 625 0.287 9.968 7.718 1.00 0.00 H new ATOM 0 HB3 ARG A 625 -1.298 10.545 8.195 1.00 0.00 H new ATOM 0 HG2 ARG A 625 0.225 8.720 10.048 1.00 0.00 H new ATOM 0 HG3 ARG A 625 0.672 10.412 9.947 1.00 0.00 H new ATOM 0 HD2 ARG A 625 -1.768 10.996 10.379 1.00 0.00 H new ATOM 0 HD3 ARG A 625 -2.064 9.294 10.672 1.00 0.00 H new ATOM 0 HE ARG A 625 -1.033 9.469 12.759 1.00 0.00 H new ATOM 0 HH11 ARG A 625 -0.293 12.288 10.766 1.00 0.00 H new ATOM 0 HH12 ARG A 625 0.459 13.175 12.097 1.00 0.00 H new ATOM 0 HH21 ARG A 625 -0.066 10.613 14.462 1.00 0.00 H new ATOM 0 HH22 ARG A 625 0.587 12.230 14.180 1.00 0.00 H new ATOM 1475 N GLU A 626 -3.457 9.290 7.645 1.00 0.00 N ATOM 1476 CA GLU A 626 -4.888 9.360 7.916 1.00 0.00 C ATOM 1477 C GLU A 626 -5.531 7.979 7.801 1.00 0.00 C ATOM 1478 O GLU A 626 -6.098 7.465 8.766 1.00 0.00 O ATOM 1479 CB GLU A 626 -5.568 10.332 6.949 1.00 0.00 C ATOM 1480 CG GLU A 626 -5.606 11.764 7.454 1.00 0.00 C ATOM 1481 CD GLU A 626 -4.291 12.200 8.072 1.00 0.00 C ATOM 1482 OE1 GLU A 626 -3.909 11.632 9.116 1.00 0.00 O ATOM 1483 OE2 GLU A 626 -3.645 13.110 7.511 1.00 0.00 O ATOM 0 H GLU A 626 -3.119 9.985 6.979 1.00 0.00 H new ATOM 0 HA GLU A 626 -5.021 9.722 8.936 1.00 0.00 H new ATOM 0 HB2 GLU A 626 -5.045 10.306 5.993 1.00 0.00 H new ATOM 0 HB3 GLU A 626 -6.587 9.994 6.764 1.00 0.00 H new ATOM 0 HG2 GLU A 626 -5.853 12.430 6.628 1.00 0.00 H new ATOM 0 HG3 GLU A 626 -6.401 11.864 8.193 1.00 0.00 H new ATOM 1490 N ILE A 627 -5.438 7.387 6.615 1.00 0.00 N ATOM 1491 CA ILE A 627 -6.009 6.067 6.374 1.00 0.00 C ATOM 1492 C ILE A 627 -5.775 5.142 7.563 1.00 0.00 C ATOM 1493 O ILE A 627 -6.659 4.379 7.951 1.00 0.00 O ATOM 1494 CB ILE A 627 -5.417 5.420 5.109 1.00 0.00 C ATOM 1495 CG1 ILE A 627 -5.810 6.222 3.867 1.00 0.00 C ATOM 1496 CG2 ILE A 627 -5.883 3.978 4.985 1.00 0.00 C ATOM 1497 CD1 ILE A 627 -4.968 5.906 2.652 1.00 0.00 C ATOM 0 H ILE A 627 -4.973 7.800 5.806 1.00 0.00 H new ATOM 0 HA ILE A 627 -7.081 6.208 6.232 1.00 0.00 H new ATOM 0 HB ILE A 627 -4.330 5.424 5.191 1.00 0.00 H new ATOM 0 HG12 ILE A 627 -6.857 6.026 3.634 1.00 0.00 H new ATOM 0 HG13 ILE A 627 -5.727 7.286 4.090 1.00 0.00 H new ATOM 0 HG21 ILE A 627 -5.456 3.534 4.086 1.00 0.00 H new ATOM 0 HG22 ILE A 627 -5.557 3.414 5.859 1.00 0.00 H new ATOM 0 HG23 ILE A 627 -6.971 3.951 4.922 1.00 0.00 H new ATOM 0 HD11 ILE A 627 -5.303 6.511 1.810 1.00 0.00 H new ATOM 0 HD12 ILE A 627 -3.923 6.129 2.866 1.00 0.00 H new ATOM 0 HD13 ILE A 627 -5.070 4.850 2.403 1.00 0.00 H new ATOM 1509 N GLU A 628 -4.578 5.217 8.139 1.00 0.00 N ATOM 1510 CA GLU A 628 -4.230 4.386 9.284 1.00 0.00 C ATOM 1511 C GLU A 628 -5.277 4.510 10.386 1.00 0.00 C ATOM 1512 O GLU A 628 -5.770 3.508 10.906 1.00 0.00 O ATOM 1513 CB GLU A 628 -2.854 4.779 9.827 1.00 0.00 C ATOM 1514 CG GLU A 628 -2.296 3.795 10.841 1.00 0.00 C ATOM 1515 CD GLU A 628 -3.162 3.681 12.080 1.00 0.00 C ATOM 1516 OE1 GLU A 628 -3.468 4.727 12.689 1.00 0.00 O ATOM 1517 OE2 GLU A 628 -3.535 2.545 12.441 1.00 0.00 O ATOM 0 H GLU A 628 -3.835 5.844 7.831 1.00 0.00 H new ATOM 0 HA GLU A 628 -4.200 3.348 8.951 1.00 0.00 H new ATOM 0 HB2 GLU A 628 -2.155 4.865 8.995 1.00 0.00 H new ATOM 0 HB3 GLU A 628 -2.923 5.764 10.289 1.00 0.00 H new ATOM 0 HG2 GLU A 628 -2.202 2.814 10.376 1.00 0.00 H new ATOM 0 HG3 GLU A 628 -1.293 4.107 11.131 1.00 0.00 H new ATOM 1524 N LYS A 629 -5.613 5.746 10.739 1.00 0.00 N ATOM 1525 CA LYS A 629 -6.603 6.004 11.778 1.00 0.00 C ATOM 1526 C LYS A 629 -8.018 5.814 11.241 1.00 0.00 C ATOM 1527 O LYS A 629 -8.849 5.161 11.870 1.00 0.00 O ATOM 1528 CB LYS A 629 -6.439 7.423 12.326 1.00 0.00 C ATOM 1529 CG LYS A 629 -5.067 7.692 12.920 1.00 0.00 C ATOM 1530 CD LYS A 629 -4.872 9.167 13.227 1.00 0.00 C ATOM 1531 CE LYS A 629 -5.538 9.556 14.537 1.00 0.00 C ATOM 1532 NZ LYS A 629 -5.430 11.019 14.802 1.00 0.00 N ATOM 0 H LYS A 629 -5.214 6.586 10.320 1.00 0.00 H new ATOM 0 HA LYS A 629 -6.441 5.289 12.585 1.00 0.00 H new ATOM 0 HB2 LYS A 629 -6.624 8.137 11.523 1.00 0.00 H new ATOM 0 HB3 LYS A 629 -7.197 7.598 13.090 1.00 0.00 H new ATOM 0 HG2 LYS A 629 -4.945 7.110 13.833 1.00 0.00 H new ATOM 0 HG3 LYS A 629 -4.297 7.359 12.224 1.00 0.00 H new ATOM 0 HD2 LYS A 629 -3.807 9.391 13.279 1.00 0.00 H new ATOM 0 HD3 LYS A 629 -5.285 9.766 12.416 1.00 0.00 H new ATOM 0 HE2 LYS A 629 -6.589 9.269 14.509 1.00 0.00 H new ATOM 0 HE3 LYS A 629 -5.078 9.004 15.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 629 -5.896 11.244 15.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 629 -4.427 11.289 14.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 629 -5.891 11.546 14.033 1.00 0.00 H new