USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=11 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 Set 1.1: A 545 CYS SG : rot 20:sc= -1.81 USER MOD Set 1.2: A 591 GLN : amide:sc= 0 X(o=-2.4,f=-2.4) USER MOD Set 1.3: A 624 MET CE :methyl -148:sc= -0.605 (180deg=-1.04) USER MOD Single : A 543 LYS NZ :NH3+ 152:sc= -0.271 (180deg=-1.25) USER MOD Single : A 547 HIS :FLIP no HE2:sc= -1.05 F(o=-2.2,f=-1.1) USER MOD Single : A 549 THR OG1 : rot 180:sc= 0 USER MOD Single : A 550 ASN : amide:sc= -1.17 K(o=-1.2,f=-3.5!) 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+ -177:sc= 0 (180deg=-0.00466) USER MOD Single : A 558 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 562 GLN : amide:sc= -0.851 K(o=-0.85,f=-5.3!) USER MOD Single : A 572 ASN : amide:sc= -0.788 X(o=-0.79,f=-0.36) USER MOD Single : A 575 HIS : no HD1:sc= -0.98 K(o=-0.98,f=-1.6) USER MOD Single : A 587 GLN : amide:sc= -0.772 X(o=-0.77,f=-1.2) USER MOD Single : A 593 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 594 ASN :FLIP amide:sc= -0.182 F(o=-0.86,f=-0.18) USER MOD Single : A 600 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 601 SER OG : rot -46:sc= 1.15 USER MOD Single : A 605 HIS : no HD1:sc= -2.96! C(o=-3!,f=-6.5!) 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= -0.302 K(o=-0.3,f=-1.3) 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=0.000732 USER MOD Single : A 629 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 141 N ALA A 542 4.803 14.987 -1.356 1.00 0.00 N ATOM 142 CA ALA A 542 5.438 13.955 -2.167 1.00 0.00 C ATOM 143 C ALA A 542 4.812 12.589 -1.904 1.00 0.00 C ATOM 144 O ALA A 542 4.678 12.166 -0.755 1.00 0.00 O ATOM 145 CB ALA A 542 6.934 13.914 -1.893 1.00 0.00 C ATOM 0 HA ALA A 542 5.279 14.203 -3.217 1.00 0.00 H new ATOM 0 HB1 ALA A 542 7.395 13.139 -2.505 1.00 0.00 H new ATOM 0 HB2 ALA A 542 7.375 14.880 -2.138 1.00 0.00 H new ATOM 0 HB3 ALA A 542 7.105 13.693 -0.839 1.00 0.00 H new ATOM 151 N LYS A 543 4.430 11.903 -2.976 1.00 0.00 N ATOM 152 CA LYS A 543 3.819 10.584 -2.862 1.00 0.00 C ATOM 153 C LYS A 543 4.856 9.536 -2.469 1.00 0.00 C ATOM 154 O LYS A 543 5.629 9.069 -3.307 1.00 0.00 O ATOM 155 CB LYS A 543 3.156 10.191 -4.184 1.00 0.00 C ATOM 156 CG LYS A 543 1.759 10.760 -4.356 1.00 0.00 C ATOM 157 CD LYS A 543 1.351 10.806 -5.820 1.00 0.00 C ATOM 158 CE LYS A 543 1.788 12.106 -6.479 1.00 0.00 C ATOM 159 NZ LYS A 543 3.185 12.026 -6.989 1.00 0.00 N ATOM 0 H LYS A 543 4.533 12.239 -3.934 1.00 0.00 H new ATOM 0 HA LYS A 543 3.060 10.629 -2.081 1.00 0.00 H new ATOM 0 HB2 LYS A 543 3.782 10.530 -5.010 1.00 0.00 H new ATOM 0 HB3 LYS A 543 3.107 9.104 -4.247 1.00 0.00 H new ATOM 0 HG2 LYS A 543 1.047 10.153 -3.798 1.00 0.00 H new ATOM 0 HG3 LYS A 543 1.720 11.765 -3.935 1.00 0.00 H new ATOM 0 HD2 LYS A 543 1.793 9.962 -6.349 1.00 0.00 H new ATOM 0 HD3 LYS A 543 0.269 10.701 -5.901 1.00 0.00 H new ATOM 0 HE2 LYS A 543 1.113 12.341 -7.302 1.00 0.00 H new ATOM 0 HE3 LYS A 543 1.710 12.922 -5.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 543 3.297 12.670 -7.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 543 3.846 12.300 -6.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 543 3.389 11.052 -7.291 1.00 0.00 H new ATOM 173 N VAL A 544 4.866 9.169 -1.192 1.00 0.00 N ATOM 174 CA VAL A 544 5.805 8.175 -0.689 1.00 0.00 C ATOM 175 C VAL A 544 5.086 7.089 0.103 1.00 0.00 C ATOM 176 O VAL A 544 5.588 6.613 1.121 1.00 0.00 O ATOM 177 CB VAL A 544 6.881 8.819 0.205 1.00 0.00 C ATOM 178 CG1 VAL A 544 7.756 9.762 -0.607 1.00 0.00 C ATOM 179 CG2 VAL A 544 6.234 9.551 1.371 1.00 0.00 C ATOM 0 H VAL A 544 4.233 9.546 -0.486 1.00 0.00 H new ATOM 0 HA VAL A 544 6.286 7.728 -1.559 1.00 0.00 H new ATOM 0 HB VAL A 544 7.516 8.029 0.607 1.00 0.00 H new ATOM 0 HG11 VAL A 544 8.510 10.208 0.042 1.00 0.00 H new ATOM 0 HG12 VAL A 544 8.247 9.206 -1.406 1.00 0.00 H new ATOM 0 HG13 VAL A 544 7.139 10.549 -1.040 1.00 0.00 H new ATOM 0 HG21 VAL A 544 7.008 10.000 1.993 1.00 0.00 H new ATOM 0 HG22 VAL A 544 5.576 10.332 0.990 1.00 0.00 H new ATOM 0 HG23 VAL A 544 5.654 8.846 1.966 1.00 0.00 H new ATOM 189 N CYS A 545 3.907 6.702 -0.372 1.00 0.00 N ATOM 190 CA CYS A 545 3.116 5.672 0.293 1.00 0.00 C ATOM 191 C CYS A 545 2.309 4.868 -0.721 1.00 0.00 C ATOM 192 O CYS A 545 1.864 5.400 -1.737 1.00 0.00 O ATOM 193 CB CYS A 545 2.180 6.304 1.324 1.00 0.00 C ATOM 194 SG CYS A 545 2.992 6.774 2.869 1.00 0.00 S ATOM 0 H CYS A 545 3.478 7.085 -1.214 1.00 0.00 H new ATOM 0 HA CYS A 545 3.801 4.995 0.803 1.00 0.00 H new ATOM 0 HB2 CYS A 545 1.718 7.188 0.885 1.00 0.00 H new ATOM 0 HB3 CYS A 545 1.376 5.602 1.547 1.00 0.00 H new ATOM 0 HG CYS A 545 4.273 6.880 2.672 1.00 0.00 H new ATOM 200 N ALA A 546 2.126 3.582 -0.437 1.00 0.00 N ATOM 201 CA ALA A 546 1.372 2.705 -1.324 1.00 0.00 C ATOM 202 C ALA A 546 0.399 1.834 -0.537 1.00 0.00 C ATOM 203 O ALA A 546 0.771 1.216 0.462 1.00 0.00 O ATOM 204 CB ALA A 546 2.319 1.838 -2.139 1.00 0.00 C ATOM 0 H ALA A 546 2.489 3.125 0.400 1.00 0.00 H new ATOM 0 HA ALA A 546 0.792 3.329 -2.004 1.00 0.00 H new ATOM 0 HB1 ALA A 546 1.742 1.188 -2.797 1.00 0.00 H new ATOM 0 HB2 ALA A 546 2.971 2.474 -2.738 1.00 0.00 H new ATOM 0 HB3 ALA A 546 2.924 1.229 -1.467 1.00 0.00 H new ATOM 210 N HIS A 547 -0.850 1.788 -0.993 1.00 0.00 N ATOM 211 CA HIS A 547 -1.876 0.992 -0.330 1.00 0.00 C ATOM 212 C HIS A 547 -2.254 -0.220 -1.176 1.00 0.00 C ATOM 213 O HIS A 547 -2.687 -0.079 -2.321 1.00 0.00 O ATOM 214 CB HIS A 547 -3.117 1.845 -0.057 1.00 0.00 C ATOM 215 CG HIS A 547 -4.136 1.161 0.800 1.00 0.00 C ATOM 216 ND1 HIS A 547 -3.990 0.307 1.840 1.00 0.00 N flip ATOM 217 CD2 HIS A 547 -5.495 1.324 0.628 1.00 0.00 C flip ATOM 218 CE1 HIS A 547 -5.249 -0.026 2.274 1.00 0.00 C flip ATOM 219 NE2 HIS A 547 -6.140 0.602 1.526 1.00 0.00 N flip ATOM 0 H HIS A 547 -1.175 2.292 -1.818 1.00 0.00 H new ATOM 0 HA HIS A 547 -1.471 0.639 0.618 1.00 0.00 H new ATOM 0 HB2 HIS A 547 -2.811 2.773 0.427 1.00 0.00 H new ATOM 0 HB3 HIS A 547 -3.577 2.117 -1.007 1.00 0.00 H new ATOM 0 HD1 HIS A 547 -3.108 -0.027 2.229 1.00 0.00 H new ATOM 0 HD2 HIS A 547 -5.959 1.945 -0.124 1.00 0.00 H new ATOM 0 HE1 HIS A 547 -5.475 -0.693 3.093 1.00 0.00 H new ATOM 227 N ILE A 548 -2.088 -1.408 -0.607 1.00 0.00 N ATOM 228 CA ILE A 548 -2.411 -2.644 -1.309 1.00 0.00 C ATOM 229 C ILE A 548 -3.774 -3.179 -0.880 1.00 0.00 C ATOM 230 O ILE A 548 -3.968 -3.565 0.273 1.00 0.00 O ATOM 231 CB ILE A 548 -1.346 -3.728 -1.061 1.00 0.00 C ATOM 232 CG1 ILE A 548 0.030 -3.233 -1.510 1.00 0.00 C ATOM 233 CG2 ILE A 548 -1.717 -5.011 -1.791 1.00 0.00 C ATOM 234 CD1 ILE A 548 1.171 -4.097 -1.022 1.00 0.00 C ATOM 0 H ILE A 548 -1.731 -1.542 0.339 1.00 0.00 H new ATOM 0 HA ILE A 548 -2.434 -2.406 -2.372 1.00 0.00 H new ATOM 0 HB ILE A 548 -1.305 -3.939 0.008 1.00 0.00 H new ATOM 0 HG12 ILE A 548 0.055 -3.193 -2.599 1.00 0.00 H new ATOM 0 HG13 ILE A 548 0.176 -2.215 -1.150 1.00 0.00 H new ATOM 0 HG21 ILE A 548 -0.955 -5.768 -1.606 1.00 0.00 H new ATOM 0 HG22 ILE A 548 -2.680 -5.370 -1.429 1.00 0.00 H new ATOM 0 HG23 ILE A 548 -1.782 -4.815 -2.861 1.00 0.00 H new ATOM 0 HD11 ILE A 548 2.116 -3.687 -1.378 1.00 0.00 H new ATOM 0 HD12 ILE A 548 1.172 -4.117 0.068 1.00 0.00 H new ATOM 0 HD13 ILE A 548 1.049 -5.111 -1.404 1.00 0.00 H new ATOM 246 N THR A 549 -4.717 -3.201 -1.818 1.00 0.00 N ATOM 247 CA THR A 549 -6.061 -3.689 -1.538 1.00 0.00 C ATOM 248 C THR A 549 -6.405 -4.887 -2.417 1.00 0.00 C ATOM 249 O THR A 549 -5.721 -5.162 -3.402 1.00 0.00 O ATOM 250 CB THR A 549 -7.115 -2.588 -1.756 1.00 0.00 C ATOM 251 OG1 THR A 549 -7.090 -2.148 -3.119 1.00 0.00 O ATOM 252 CG2 THR A 549 -6.862 -1.406 -0.831 1.00 0.00 C ATOM 0 H THR A 549 -4.574 -2.886 -2.778 1.00 0.00 H new ATOM 0 HA THR A 549 -6.075 -3.993 -0.491 1.00 0.00 H new ATOM 0 HB THR A 549 -8.096 -3.005 -1.528 1.00 0.00 H new ATOM 0 HG1 THR A 549 -7.764 -1.449 -3.250 1.00 0.00 H new ATOM 0 HG21 THR A 549 -7.619 -0.641 -1.003 1.00 0.00 H new ATOM 0 HG22 THR A 549 -6.911 -1.738 0.206 1.00 0.00 H new ATOM 0 HG23 THR A 549 -5.874 -0.991 -1.033 1.00 0.00 H new ATOM 260 N ASN A 550 -7.471 -5.594 -2.055 1.00 0.00 N ATOM 261 CA ASN A 550 -7.905 -6.762 -2.812 1.00 0.00 C ATOM 262 C ASN A 550 -6.899 -7.902 -2.680 1.00 0.00 C ATOM 263 O ASN A 550 -6.541 -8.544 -3.667 1.00 0.00 O ATOM 264 CB ASN A 550 -8.092 -6.401 -4.287 1.00 0.00 C ATOM 265 CG ASN A 550 -8.860 -7.462 -5.050 1.00 0.00 C ATOM 266 OD1 ASN A 550 -8.942 -8.613 -4.621 1.00 0.00 O ATOM 267 ND2 ASN A 550 -9.426 -7.080 -6.188 1.00 0.00 N ATOM 0 H ASN A 550 -8.049 -5.378 -1.243 1.00 0.00 H new ATOM 0 HA ASN A 550 -8.859 -7.094 -2.402 1.00 0.00 H new ATOM 0 HB2 ASN A 550 -8.620 -5.450 -4.361 1.00 0.00 H new ATOM 0 HB3 ASN A 550 -7.115 -6.260 -4.750 1.00 0.00 H new ATOM 0 HD21 ASN A 550 -9.955 -7.751 -6.745 1.00 0.00 H new ATOM 0 HD22 ASN A 550 -9.332 -6.115 -6.506 1.00 0.00 H new ATOM 274 N ILE A 551 -6.445 -8.144 -1.455 1.00 0.00 N ATOM 275 CA ILE A 551 -5.480 -9.206 -1.194 1.00 0.00 C ATOM 276 C ILE A 551 -5.962 -10.123 -0.076 1.00 0.00 C ATOM 277 O ILE A 551 -6.627 -9.695 0.868 1.00 0.00 O ATOM 278 CB ILE A 551 -4.101 -8.634 -0.816 1.00 0.00 C ATOM 279 CG1 ILE A 551 -4.227 -7.692 0.383 1.00 0.00 C ATOM 280 CG2 ILE A 551 -3.485 -7.908 -2.004 1.00 0.00 C ATOM 281 CD1 ILE A 551 -2.895 -7.297 0.983 1.00 0.00 C ATOM 0 H ILE A 551 -6.729 -7.620 -0.628 1.00 0.00 H new ATOM 0 HA ILE A 551 -5.385 -9.780 -2.116 1.00 0.00 H new ATOM 0 HB ILE A 551 -3.445 -9.459 -0.539 1.00 0.00 H new ATOM 0 HG12 ILE A 551 -4.758 -6.792 0.074 1.00 0.00 H new ATOM 0 HG13 ILE A 551 -4.834 -8.173 1.150 1.00 0.00 H new ATOM 0 HG21 ILE A 551 -2.511 -7.509 -1.721 1.00 0.00 H new ATOM 0 HG22 ILE A 551 -3.365 -8.605 -2.834 1.00 0.00 H new ATOM 0 HG23 ILE A 551 -4.137 -7.090 -2.309 1.00 0.00 H new ATOM 0 HD11 ILE A 551 -3.060 -6.629 1.828 1.00 0.00 H new ATOM 0 HD12 ILE A 551 -2.370 -8.190 1.323 1.00 0.00 H new ATOM 0 HD13 ILE A 551 -2.294 -6.788 0.230 1.00 0.00 H new ATOM 293 N PRO A 552 -5.619 -11.415 -0.180 1.00 0.00 N ATOM 294 CA PRO A 552 -6.002 -12.419 0.816 1.00 0.00 C ATOM 295 C PRO A 552 -5.776 -11.936 2.244 1.00 0.00 C ATOM 296 O PRO A 552 -4.765 -11.300 2.543 1.00 0.00 O ATOM 297 CB PRO A 552 -5.083 -13.603 0.500 1.00 0.00 C ATOM 298 CG PRO A 552 -4.784 -13.471 -0.954 1.00 0.00 C ATOM 299 CD PRO A 552 -4.826 -11.995 -1.278 1.00 0.00 C ATOM 0 HA PRO A 552 -7.064 -12.660 0.763 1.00 0.00 H new ATOM 0 HB2 PRO A 552 -4.172 -13.567 1.097 1.00 0.00 H new ATOM 0 HB3 PRO A 552 -5.571 -14.553 0.720 1.00 0.00 H new ATOM 0 HG2 PRO A 552 -3.805 -13.890 -1.187 1.00 0.00 H new ATOM 0 HG3 PRO A 552 -5.515 -14.018 -1.550 1.00 0.00 H new ATOM 0 HD2 PRO A 552 -3.825 -11.566 -1.318 1.00 0.00 H new ATOM 0 HD3 PRO A 552 -5.290 -11.811 -2.247 1.00 0.00 H new ATOM 307 N PHE A 553 -6.724 -12.242 3.124 1.00 0.00 N ATOM 308 CA PHE A 553 -6.628 -11.838 4.522 1.00 0.00 C ATOM 309 C PHE A 553 -6.041 -12.960 5.373 1.00 0.00 C ATOM 310 O PHE A 553 -6.352 -13.083 6.558 1.00 0.00 O ATOM 311 CB PHE A 553 -8.007 -11.445 5.058 1.00 0.00 C ATOM 312 CG PHE A 553 -9.113 -12.340 4.579 1.00 0.00 C ATOM 313 CD1 PHE A 553 -9.319 -13.581 5.160 1.00 0.00 C ATOM 314 CD2 PHE A 553 -9.947 -11.942 3.546 1.00 0.00 C ATOM 315 CE1 PHE A 553 -10.337 -14.408 4.722 1.00 0.00 C ATOM 316 CE2 PHE A 553 -10.967 -12.765 3.104 1.00 0.00 C ATOM 317 CZ PHE A 553 -11.161 -13.999 3.692 1.00 0.00 C ATOM 0 H PHE A 553 -7.567 -12.768 2.894 1.00 0.00 H new ATOM 0 HA PHE A 553 -5.964 -10.976 4.580 1.00 0.00 H new ATOM 0 HB2 PHE A 553 -7.983 -11.462 6.148 1.00 0.00 H new ATOM 0 HB3 PHE A 553 -8.225 -10.420 4.760 1.00 0.00 H new ATOM 0 HD1 PHE A 553 -8.677 -13.906 5.965 1.00 0.00 H new ATOM 0 HD2 PHE A 553 -9.799 -10.979 3.081 1.00 0.00 H new ATOM 0 HE1 PHE A 553 -10.487 -15.372 5.185 1.00 0.00 H new ATOM 0 HE2 PHE A 553 -11.611 -12.443 2.299 1.00 0.00 H new ATOM 0 HZ PHE A 553 -11.956 -14.643 3.347 1.00 0.00 H new ATOM 327 N SER A 554 -5.189 -13.777 4.760 1.00 0.00 N ATOM 328 CA SER A 554 -4.561 -14.891 5.459 1.00 0.00 C ATOM 329 C SER A 554 -3.055 -14.680 5.575 1.00 0.00 C ATOM 330 O SER A 554 -2.422 -15.149 6.523 1.00 0.00 O ATOM 331 CB SER A 554 -4.849 -16.206 4.730 1.00 0.00 C ATOM 332 OG SER A 554 -4.746 -17.310 5.612 1.00 0.00 O ATOM 0 H SER A 554 -4.918 -13.687 3.781 1.00 0.00 H new ATOM 0 HA SER A 554 -4.982 -14.941 6.463 1.00 0.00 H new ATOM 0 HB2 SER A 554 -5.849 -16.174 4.297 1.00 0.00 H new ATOM 0 HB3 SER A 554 -4.148 -16.329 3.904 1.00 0.00 H new ATOM 0 HG SER A 554 -4.936 -18.138 5.123 1.00 0.00 H new ATOM 338 N ILE A 555 -2.487 -13.974 4.605 1.00 0.00 N ATOM 339 CA ILE A 555 -1.055 -13.700 4.597 1.00 0.00 C ATOM 340 C ILE A 555 -0.674 -12.742 5.721 1.00 0.00 C ATOM 341 O ILE A 555 -1.537 -12.130 6.351 1.00 0.00 O ATOM 342 CB ILE A 555 -0.603 -13.101 3.252 1.00 0.00 C ATOM 343 CG1 ILE A 555 -1.112 -11.664 3.112 1.00 0.00 C ATOM 344 CG2 ILE A 555 -1.099 -13.959 2.098 1.00 0.00 C ATOM 345 CD1 ILE A 555 -0.521 -10.926 1.931 1.00 0.00 C ATOM 0 H ILE A 555 -2.996 -13.581 3.813 1.00 0.00 H new ATOM 0 HA ILE A 555 -0.550 -14.654 4.748 1.00 0.00 H new ATOM 0 HB ILE A 555 0.487 -13.085 3.225 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -2.197 -11.680 3.014 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -0.882 -11.115 4.025 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -0.772 -13.523 1.154 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -0.693 -14.966 2.193 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -2.188 -14.003 2.119 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -0.926 -9.915 1.894 1.00 0.00 H new ATOM 0 HD12 ILE A 555 0.563 -10.879 2.037 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -0.773 -11.452 1.010 1.00 0.00 H new ATOM 357 N THR A 556 0.628 -12.615 5.967 1.00 0.00 N ATOM 358 CA THR A 556 1.124 -11.733 7.013 1.00 0.00 C ATOM 359 C THR A 556 2.046 -10.663 6.439 1.00 0.00 C ATOM 360 O THR A 556 2.258 -10.596 5.228 1.00 0.00 O ATOM 361 CB THR A 556 1.885 -12.519 8.098 1.00 0.00 C ATOM 362 OG1 THR A 556 2.983 -13.225 7.513 1.00 0.00 O ATOM 363 CG2 THR A 556 0.960 -13.502 8.801 1.00 0.00 C ATOM 0 H THR A 556 1.356 -13.113 5.455 1.00 0.00 H new ATOM 0 HA THR A 556 0.253 -11.257 7.463 1.00 0.00 H new ATOM 0 HB THR A 556 2.262 -11.808 8.833 1.00 0.00 H new ATOM 0 HG1 THR A 556 3.462 -13.720 8.210 1.00 0.00 H new ATOM 0 HG21 THR A 556 1.518 -14.046 9.563 1.00 0.00 H new ATOM 0 HG22 THR A 556 0.140 -12.958 9.271 1.00 0.00 H new ATOM 0 HG23 THR A 556 0.558 -14.207 8.074 1.00 0.00 H new ATOM 371 N LYS A 557 2.593 -9.827 7.315 1.00 0.00 N ATOM 372 CA LYS A 557 3.494 -8.760 6.896 1.00 0.00 C ATOM 373 C LYS A 557 4.651 -9.317 6.071 1.00 0.00 C ATOM 374 O LYS A 557 4.937 -8.830 4.978 1.00 0.00 O ATOM 375 CB LYS A 557 4.038 -8.014 8.116 1.00 0.00 C ATOM 376 CG LYS A 557 4.448 -6.582 7.821 1.00 0.00 C ATOM 377 CD LYS A 557 4.392 -5.717 9.069 1.00 0.00 C ATOM 378 CE LYS A 557 5.718 -5.727 9.814 1.00 0.00 C ATOM 379 NZ LYS A 557 5.785 -6.828 10.813 1.00 0.00 N ATOM 0 H LYS A 557 2.428 -9.868 8.321 1.00 0.00 H new ATOM 0 HA LYS A 557 2.929 -8.065 6.275 1.00 0.00 H new ATOM 0 HB2 LYS A 557 3.279 -8.012 8.898 1.00 0.00 H new ATOM 0 HB3 LYS A 557 4.899 -8.556 8.509 1.00 0.00 H new ATOM 0 HG2 LYS A 557 5.459 -6.569 7.413 1.00 0.00 H new ATOM 0 HG3 LYS A 557 3.791 -6.164 7.058 1.00 0.00 H new ATOM 0 HD2 LYS A 557 4.136 -4.694 8.793 1.00 0.00 H new ATOM 0 HD3 LYS A 557 3.601 -6.077 9.727 1.00 0.00 H new ATOM 0 HE2 LYS A 557 6.535 -5.834 9.100 1.00 0.00 H new ATOM 0 HE3 LYS A 557 5.859 -4.771 10.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 557 6.683 -6.769 11.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 557 4.991 -6.741 11.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 557 5.728 -7.744 10.324 1.00 0.00 H new ATOM 393 N MET A 558 5.310 -10.342 6.601 1.00 0.00 N ATOM 394 CA MET A 558 6.433 -10.967 5.912 1.00 0.00 C ATOM 395 C MET A 558 6.087 -11.247 4.453 1.00 0.00 C ATOM 396 O MET A 558 6.840 -10.885 3.548 1.00 0.00 O ATOM 397 CB MET A 558 6.829 -12.268 6.613 1.00 0.00 C ATOM 398 CG MET A 558 8.201 -12.783 6.209 1.00 0.00 C ATOM 399 SD MET A 558 8.992 -13.747 7.512 1.00 0.00 S ATOM 400 CE MET A 558 10.336 -12.656 7.973 1.00 0.00 C ATOM 0 H MET A 558 5.086 -10.757 7.505 1.00 0.00 H new ATOM 0 HA MET A 558 7.276 -10.276 5.941 1.00 0.00 H new ATOM 0 HB2 MET A 558 6.813 -12.110 7.691 1.00 0.00 H new ATOM 0 HB3 MET A 558 6.084 -13.032 6.392 1.00 0.00 H new ATOM 0 HG2 MET A 558 8.105 -13.398 5.314 1.00 0.00 H new ATOM 0 HG3 MET A 558 8.839 -11.939 5.948 1.00 0.00 H new ATOM 0 HE1 MET A 558 10.919 -13.114 8.772 1.00 0.00 H new ATOM 0 HE2 MET A 558 10.977 -12.483 7.109 1.00 0.00 H new ATOM 0 HE3 MET A 558 9.930 -11.705 8.320 1.00 0.00 H new ATOM 410 N ASP A 559 4.948 -11.891 4.232 1.00 0.00 N ATOM 411 CA ASP A 559 4.502 -12.217 2.882 1.00 0.00 C ATOM 412 C ASP A 559 4.518 -10.979 1.990 1.00 0.00 C ATOM 413 O ASP A 559 5.147 -10.972 0.932 1.00 0.00 O ATOM 414 CB ASP A 559 3.096 -12.818 2.917 1.00 0.00 C ATOM 415 CG ASP A 559 3.062 -14.172 3.598 1.00 0.00 C ATOM 416 OD1 ASP A 559 3.865 -14.388 4.530 1.00 0.00 O ATOM 417 OD2 ASP A 559 2.232 -15.015 3.199 1.00 0.00 O ATOM 0 H ASP A 559 4.315 -12.198 4.971 1.00 0.00 H new ATOM 0 HA ASP A 559 5.192 -12.951 2.466 1.00 0.00 H new ATOM 0 HB2 ASP A 559 2.425 -12.135 3.438 1.00 0.00 H new ATOM 0 HB3 ASP A 559 2.721 -12.917 1.898 1.00 0.00 H new ATOM 422 N VAL A 560 3.822 -9.934 2.425 1.00 0.00 N ATOM 423 CA VAL A 560 3.755 -8.691 1.667 1.00 0.00 C ATOM 424 C VAL A 560 5.144 -8.237 1.233 1.00 0.00 C ATOM 425 O VAL A 560 5.372 -7.929 0.062 1.00 0.00 O ATOM 426 CB VAL A 560 3.092 -7.568 2.486 1.00 0.00 C ATOM 427 CG1 VAL A 560 3.147 -6.250 1.729 1.00 0.00 C ATOM 428 CG2 VAL A 560 1.656 -7.935 2.830 1.00 0.00 C ATOM 0 H VAL A 560 3.296 -9.924 3.299 1.00 0.00 H new ATOM 0 HA VAL A 560 3.149 -8.892 0.784 1.00 0.00 H new ATOM 0 HB VAL A 560 3.645 -7.448 3.417 1.00 0.00 H new ATOM 0 HG11 VAL A 560 2.674 -5.469 2.324 1.00 0.00 H new ATOM 0 HG12 VAL A 560 4.187 -5.982 1.540 1.00 0.00 H new ATOM 0 HG13 VAL A 560 2.620 -6.353 0.780 1.00 0.00 H new ATOM 0 HG21 VAL A 560 1.203 -7.130 3.409 1.00 0.00 H new ATOM 0 HG22 VAL A 560 1.089 -8.085 1.911 1.00 0.00 H new ATOM 0 HG23 VAL A 560 1.646 -8.854 3.417 1.00 0.00 H new ATOM 438 N LEU A 561 6.071 -8.198 2.183 1.00 0.00 N ATOM 439 CA LEU A 561 7.440 -7.782 1.900 1.00 0.00 C ATOM 440 C LEU A 561 8.024 -8.580 0.739 1.00 0.00 C ATOM 441 O LEU A 561 8.859 -8.080 -0.012 1.00 0.00 O ATOM 442 CB LEU A 561 8.314 -7.954 3.144 1.00 0.00 C ATOM 443 CG LEU A 561 7.961 -7.071 4.341 1.00 0.00 C ATOM 444 CD1 LEU A 561 8.649 -7.577 5.599 1.00 0.00 C ATOM 445 CD2 LEU A 561 8.344 -5.623 4.067 1.00 0.00 C ATOM 0 H LEU A 561 5.900 -8.449 3.157 1.00 0.00 H new ATOM 0 HA LEU A 561 7.422 -6.729 1.619 1.00 0.00 H new ATOM 0 HB2 LEU A 561 8.261 -8.996 3.459 1.00 0.00 H new ATOM 0 HB3 LEU A 561 9.349 -7.757 2.866 1.00 0.00 H new ATOM 0 HG LEU A 561 6.883 -7.118 4.497 1.00 0.00 H new ATOM 0 HD11 LEU A 561 8.386 -6.936 6.440 1.00 0.00 H new ATOM 0 HD12 LEU A 561 8.326 -8.597 5.805 1.00 0.00 H new ATOM 0 HD13 LEU A 561 9.729 -7.561 5.454 1.00 0.00 H new ATOM 0 HD21 LEU A 561 8.086 -5.009 4.930 1.00 0.00 H new ATOM 0 HD22 LEU A 561 9.417 -5.559 3.884 1.00 0.00 H new ATOM 0 HD23 LEU A 561 7.804 -5.263 3.191 1.00 0.00 H new ATOM 457 N GLN A 562 7.573 -9.824 0.599 1.00 0.00 N ATOM 458 CA GLN A 562 8.050 -10.691 -0.472 1.00 0.00 C ATOM 459 C GLN A 562 7.446 -10.286 -1.811 1.00 0.00 C ATOM 460 O GLN A 562 8.121 -10.304 -2.840 1.00 0.00 O ATOM 461 CB GLN A 562 7.708 -12.150 -0.165 1.00 0.00 C ATOM 462 CG GLN A 562 8.187 -13.124 -1.229 1.00 0.00 C ATOM 463 CD GLN A 562 9.690 -13.323 -1.206 1.00 0.00 C ATOM 464 OE1 GLN A 562 10.445 -12.396 -0.910 1.00 0.00 O ATOM 465 NE2 GLN A 562 10.132 -14.535 -1.518 1.00 0.00 N ATOM 0 H GLN A 562 6.880 -10.252 1.213 1.00 0.00 H new ATOM 0 HA GLN A 562 9.133 -10.584 -0.537 1.00 0.00 H new ATOM 0 HB2 GLN A 562 8.151 -12.424 0.793 1.00 0.00 H new ATOM 0 HB3 GLN A 562 6.628 -12.246 -0.056 1.00 0.00 H new ATOM 0 HG2 GLN A 562 7.695 -14.086 -1.083 1.00 0.00 H new ATOM 0 HG3 GLN A 562 7.888 -12.759 -2.211 1.00 0.00 H new ATOM 0 HE21 GLN A 562 9.470 -15.273 -1.757 1.00 0.00 H new ATOM 0 HE22 GLN A 562 11.134 -14.728 -1.519 1.00 0.00 H new ATOM 474 N PHE A 563 6.168 -9.919 -1.791 1.00 0.00 N ATOM 475 CA PHE A 563 5.471 -9.510 -3.004 1.00 0.00 C ATOM 476 C PHE A 563 6.084 -8.237 -3.581 1.00 0.00 C ATOM 477 O PHE A 563 5.946 -7.952 -4.772 1.00 0.00 O ATOM 478 CB PHE A 563 3.984 -9.288 -2.714 1.00 0.00 C ATOM 479 CG PHE A 563 3.262 -8.562 -3.813 1.00 0.00 C ATOM 480 CD1 PHE A 563 2.924 -9.216 -4.987 1.00 0.00 C ATOM 481 CD2 PHE A 563 2.920 -7.227 -3.671 1.00 0.00 C ATOM 482 CE1 PHE A 563 2.258 -8.551 -5.999 1.00 0.00 C ATOM 483 CE2 PHE A 563 2.253 -6.558 -4.680 1.00 0.00 C ATOM 484 CZ PHE A 563 1.923 -7.220 -5.846 1.00 0.00 C ATOM 0 H PHE A 563 5.595 -9.897 -0.948 1.00 0.00 H new ATOM 0 HA PHE A 563 5.575 -10.308 -3.739 1.00 0.00 H new ATOM 0 HB2 PHE A 563 3.505 -10.254 -2.551 1.00 0.00 H new ATOM 0 HB3 PHE A 563 3.883 -8.722 -1.788 1.00 0.00 H new ATOM 0 HD1 PHE A 563 3.184 -10.257 -5.112 1.00 0.00 H new ATOM 0 HD2 PHE A 563 3.177 -6.703 -2.762 1.00 0.00 H new ATOM 0 HE1 PHE A 563 2.000 -9.072 -6.909 1.00 0.00 H new ATOM 0 HE2 PHE A 563 1.990 -5.518 -4.556 1.00 0.00 H new ATOM 0 HZ PHE A 563 1.404 -6.698 -6.636 1.00 0.00 H new ATOM 494 N LEU A 564 6.760 -7.475 -2.729 1.00 0.00 N ATOM 495 CA LEU A 564 7.395 -6.232 -3.151 1.00 0.00 C ATOM 496 C LEU A 564 8.794 -6.493 -3.697 1.00 0.00 C ATOM 497 O LEU A 564 9.651 -5.609 -3.683 1.00 0.00 O ATOM 498 CB LEU A 564 7.466 -5.248 -1.981 1.00 0.00 C ATOM 499 CG LEU A 564 6.133 -4.659 -1.519 1.00 0.00 C ATOM 500 CD1 LEU A 564 6.256 -4.106 -0.107 1.00 0.00 C ATOM 501 CD2 LEU A 564 5.666 -3.575 -2.479 1.00 0.00 C ATOM 0 H LEU A 564 6.883 -7.696 -1.741 1.00 0.00 H new ATOM 0 HA LEU A 564 6.790 -5.797 -3.947 1.00 0.00 H new ATOM 0 HB2 LEU A 564 7.930 -5.754 -1.134 1.00 0.00 H new ATOM 0 HB3 LEU A 564 8.125 -4.427 -2.262 1.00 0.00 H new ATOM 0 HG LEU A 564 5.389 -5.455 -1.513 1.00 0.00 H new ATOM 0 HD11 LEU A 564 5.298 -3.691 0.206 1.00 0.00 H new ATOM 0 HD12 LEU A 564 6.544 -4.907 0.574 1.00 0.00 H new ATOM 0 HD13 LEU A 564 7.014 -3.323 -0.088 1.00 0.00 H new ATOM 0 HD21 LEU A 564 4.716 -3.168 -2.134 1.00 0.00 H new ATOM 0 HD22 LEU A 564 6.409 -2.779 -2.518 1.00 0.00 H new ATOM 0 HD23 LEU A 564 5.538 -4.001 -3.474 1.00 0.00 H new ATOM 513 N GLU A 565 9.019 -7.711 -4.179 1.00 0.00 N ATOM 514 CA GLU A 565 10.316 -8.086 -4.732 1.00 0.00 C ATOM 515 C GLU A 565 10.864 -6.984 -5.632 1.00 0.00 C ATOM 516 O GLU A 565 10.147 -6.435 -6.468 1.00 0.00 O ATOM 517 CB GLU A 565 10.199 -9.393 -5.520 1.00 0.00 C ATOM 518 CG GLU A 565 11.535 -9.933 -6.003 1.00 0.00 C ATOM 519 CD GLU A 565 11.521 -11.437 -6.197 1.00 0.00 C ATOM 520 OE1 GLU A 565 11.342 -12.163 -5.197 1.00 0.00 O ATOM 521 OE2 GLU A 565 11.687 -11.887 -7.350 1.00 0.00 O ATOM 0 H GLU A 565 8.321 -8.455 -4.198 1.00 0.00 H new ATOM 0 HA GLU A 565 11.008 -8.230 -3.902 1.00 0.00 H new ATOM 0 HB2 GLU A 565 9.718 -10.144 -4.893 1.00 0.00 H new ATOM 0 HB3 GLU A 565 9.549 -9.232 -6.380 1.00 0.00 H new ATOM 0 HG2 GLU A 565 11.798 -9.451 -6.945 1.00 0.00 H new ATOM 0 HG3 GLU A 565 12.310 -9.671 -5.283 1.00 0.00 H new ATOM 528 N GLY A 566 12.142 -6.663 -5.454 1.00 0.00 N ATOM 529 CA GLY A 566 12.765 -5.626 -6.255 1.00 0.00 C ATOM 530 C GLY A 566 12.740 -4.273 -5.575 1.00 0.00 C ATOM 531 O GLY A 566 13.607 -3.432 -5.817 1.00 0.00 O ATOM 0 H GLY A 566 12.757 -7.103 -4.769 1.00 0.00 H new ATOM 0 HA2 GLY A 566 13.798 -5.905 -6.464 1.00 0.00 H new ATOM 0 HA3 GLY A 566 12.253 -5.556 -7.215 1.00 0.00 H new ATOM 535 N ILE A 567 11.743 -4.059 -4.723 1.00 0.00 N ATOM 536 CA ILE A 567 11.608 -2.797 -4.006 1.00 0.00 C ATOM 537 C ILE A 567 12.279 -2.867 -2.639 1.00 0.00 C ATOM 538 O ILE A 567 11.807 -3.541 -1.722 1.00 0.00 O ATOM 539 CB ILE A 567 10.128 -2.411 -3.821 1.00 0.00 C ATOM 540 CG1 ILE A 567 9.454 -2.222 -5.181 1.00 0.00 C ATOM 541 CG2 ILE A 567 10.013 -1.144 -2.987 1.00 0.00 C ATOM 542 CD1 ILE A 567 7.955 -2.042 -5.092 1.00 0.00 C ATOM 0 H ILE A 567 11.017 -4.743 -4.512 1.00 0.00 H new ATOM 0 HA ILE A 567 12.101 -2.036 -4.611 1.00 0.00 H new ATOM 0 HB ILE A 567 9.620 -3.218 -3.294 1.00 0.00 H new ATOM 0 HG12 ILE A 567 9.888 -1.352 -5.675 1.00 0.00 H new ATOM 0 HG13 ILE A 567 9.672 -3.086 -5.809 1.00 0.00 H new ATOM 0 HG21 ILE A 567 8.962 -0.883 -2.864 1.00 0.00 H new ATOM 0 HG22 ILE A 567 10.462 -1.311 -2.008 1.00 0.00 H new ATOM 0 HG23 ILE A 567 10.533 -0.329 -3.490 1.00 0.00 H new ATOM 0 HD11 ILE A 567 7.544 -1.913 -6.093 1.00 0.00 H new ATOM 0 HD12 ILE A 567 7.510 -2.922 -4.627 1.00 0.00 H new ATOM 0 HD13 ILE A 567 7.729 -1.161 -4.491 1.00 0.00 H new ATOM 554 N PRO A 568 13.406 -2.153 -2.496 1.00 0.00 N ATOM 555 CA PRO A 568 14.164 -2.115 -1.242 1.00 0.00 C ATOM 556 C PRO A 568 13.516 -1.212 -0.198 1.00 0.00 C ATOM 557 O PRO A 568 13.704 0.005 -0.213 1.00 0.00 O ATOM 558 CB PRO A 568 15.523 -1.553 -1.666 1.00 0.00 C ATOM 559 CG PRO A 568 15.229 -0.717 -2.865 1.00 0.00 C ATOM 560 CD PRO A 568 14.024 -1.327 -3.546 1.00 0.00 C ATOM 0 HA PRO A 568 14.221 -3.096 -0.771 1.00 0.00 H new ATOM 0 HB2 PRO A 568 15.972 -0.959 -0.870 1.00 0.00 H new ATOM 0 HB3 PRO A 568 16.226 -2.352 -1.903 1.00 0.00 H new ATOM 0 HG2 PRO A 568 15.027 0.314 -2.576 1.00 0.00 H new ATOM 0 HG3 PRO A 568 16.084 -0.697 -3.540 1.00 0.00 H new ATOM 0 HD2 PRO A 568 13.338 -0.561 -3.907 1.00 0.00 H new ATOM 0 HD3 PRO A 568 14.314 -1.927 -4.408 1.00 0.00 H new ATOM 568 N VAL A 569 12.752 -1.815 0.707 1.00 0.00 N ATOM 569 CA VAL A 569 12.077 -1.065 1.760 1.00 0.00 C ATOM 570 C VAL A 569 12.144 -1.804 3.091 1.00 0.00 C ATOM 571 O VAL A 569 12.091 -3.034 3.133 1.00 0.00 O ATOM 572 CB VAL A 569 10.602 -0.802 1.403 1.00 0.00 C ATOM 573 CG1 VAL A 569 9.853 -2.115 1.226 1.00 0.00 C ATOM 574 CG2 VAL A 569 9.941 0.057 2.471 1.00 0.00 C ATOM 0 H VAL A 569 12.585 -2.821 0.732 1.00 0.00 H new ATOM 0 HA VAL A 569 12.596 -0.111 1.853 1.00 0.00 H new ATOM 0 HB VAL A 569 10.566 -0.260 0.458 1.00 0.00 H new ATOM 0 HG11 VAL A 569 8.813 -1.909 0.974 1.00 0.00 H new ATOM 0 HG12 VAL A 569 10.314 -2.691 0.424 1.00 0.00 H new ATOM 0 HG13 VAL A 569 9.896 -2.686 2.153 1.00 0.00 H new ATOM 0 HG21 VAL A 569 8.899 0.233 2.203 1.00 0.00 H new ATOM 0 HG22 VAL A 569 9.987 -0.457 3.431 1.00 0.00 H new ATOM 0 HG23 VAL A 569 10.463 1.011 2.545 1.00 0.00 H new ATOM 584 N ASP A 570 12.259 -1.048 4.176 1.00 0.00 N ATOM 585 CA ASP A 570 12.331 -1.631 5.511 1.00 0.00 C ATOM 586 C ASP A 570 11.145 -2.557 5.764 1.00 0.00 C ATOM 587 O ASP A 570 10.334 -2.800 4.872 1.00 0.00 O ATOM 588 CB ASP A 570 12.371 -0.529 6.571 1.00 0.00 C ATOM 589 CG ASP A 570 13.751 0.078 6.724 1.00 0.00 C ATOM 590 OD1 ASP A 570 14.741 -0.681 6.669 1.00 0.00 O ATOM 591 OD2 ASP A 570 13.841 1.311 6.901 1.00 0.00 O ATOM 0 H ASP A 570 12.304 -0.029 4.158 1.00 0.00 H new ATOM 0 HA ASP A 570 13.247 -2.218 5.576 1.00 0.00 H new ATOM 0 HB2 ASP A 570 11.661 0.254 6.304 1.00 0.00 H new ATOM 0 HB3 ASP A 570 12.049 -0.938 7.529 1.00 0.00 H new ATOM 596 N GLU A 571 11.051 -3.068 6.987 1.00 0.00 N ATOM 597 CA GLU A 571 9.965 -3.969 7.357 1.00 0.00 C ATOM 598 C GLU A 571 8.832 -3.204 8.037 1.00 0.00 C ATOM 599 O GLU A 571 7.657 -3.445 7.765 1.00 0.00 O ATOM 600 CB GLU A 571 10.480 -5.072 8.284 1.00 0.00 C ATOM 601 CG GLU A 571 9.440 -5.567 9.277 1.00 0.00 C ATOM 602 CD GLU A 571 9.660 -7.012 9.679 1.00 0.00 C ATOM 603 OE1 GLU A 571 10.556 -7.267 10.512 1.00 0.00 O ATOM 604 OE2 GLU A 571 8.936 -7.888 9.163 1.00 0.00 O ATOM 0 H GLU A 571 11.713 -2.874 7.738 1.00 0.00 H new ATOM 0 HA GLU A 571 9.578 -4.424 6.445 1.00 0.00 H new ATOM 0 HB2 GLU A 571 10.822 -5.912 7.680 1.00 0.00 H new ATOM 0 HB3 GLU A 571 11.345 -4.700 8.832 1.00 0.00 H new ATOM 0 HG2 GLU A 571 9.465 -4.938 10.167 1.00 0.00 H new ATOM 0 HG3 GLU A 571 8.447 -5.462 8.840 1.00 0.00 H new ATOM 611 N ASN A 572 9.197 -2.283 8.922 1.00 0.00 N ATOM 612 CA ASN A 572 8.212 -1.483 9.643 1.00 0.00 C ATOM 613 C ASN A 572 7.422 -0.599 8.682 1.00 0.00 C ATOM 614 O ASN A 572 6.232 -0.356 8.882 1.00 0.00 O ATOM 615 CB ASN A 572 8.902 -0.617 10.699 1.00 0.00 C ATOM 616 CG ASN A 572 9.484 0.655 10.114 1.00 0.00 C ATOM 617 OD1 ASN A 572 8.990 1.753 10.373 1.00 0.00 O ATOM 618 ND2 ASN A 572 10.539 0.513 9.320 1.00 0.00 N ATOM 0 H ASN A 572 10.167 -2.071 9.158 1.00 0.00 H new ATOM 0 HA ASN A 572 7.519 -2.164 10.137 1.00 0.00 H new ATOM 0 HB2 ASN A 572 8.185 -0.360 11.479 1.00 0.00 H new ATOM 0 HB3 ASN A 572 9.697 -1.192 11.174 1.00 0.00 H new ATOM 0 HD21 ASN A 572 10.973 1.333 8.897 1.00 0.00 H new ATOM 0 HD22 ASN A 572 10.915 -0.416 9.133 1.00 0.00 H new ATOM 625 N ALA A 573 8.092 -0.122 7.639 1.00 0.00 N ATOM 626 CA ALA A 573 7.452 0.732 6.646 1.00 0.00 C ATOM 627 C ALA A 573 6.072 0.201 6.272 1.00 0.00 C ATOM 628 O ALA A 573 5.138 0.971 6.050 1.00 0.00 O ATOM 629 CB ALA A 573 8.328 0.849 5.407 1.00 0.00 C ATOM 0 H ALA A 573 9.078 -0.312 7.459 1.00 0.00 H new ATOM 0 HA ALA A 573 7.325 1.722 7.083 1.00 0.00 H new ATOM 0 HB1 ALA A 573 7.838 1.490 4.674 1.00 0.00 H new ATOM 0 HB2 ALA A 573 9.290 1.282 5.681 1.00 0.00 H new ATOM 0 HB3 ALA A 573 8.484 -0.140 4.977 1.00 0.00 H new ATOM 635 N VAL A 574 5.951 -1.121 6.202 1.00 0.00 N ATOM 636 CA VAL A 574 4.685 -1.756 5.854 1.00 0.00 C ATOM 637 C VAL A 574 3.761 -1.836 7.065 1.00 0.00 C ATOM 638 O VAL A 574 4.195 -2.155 8.171 1.00 0.00 O ATOM 639 CB VAL A 574 4.904 -3.175 5.296 1.00 0.00 C ATOM 640 CG1 VAL A 574 3.570 -3.857 5.035 1.00 0.00 C ATOM 641 CG2 VAL A 574 5.743 -3.124 4.028 1.00 0.00 C ATOM 0 H VAL A 574 6.714 -1.773 6.382 1.00 0.00 H new ATOM 0 HA VAL A 574 4.221 -1.138 5.085 1.00 0.00 H new ATOM 0 HB VAL A 574 5.445 -3.760 6.039 1.00 0.00 H new ATOM 0 HG11 VAL A 574 3.744 -4.858 4.641 1.00 0.00 H new ATOM 0 HG12 VAL A 574 3.008 -3.926 5.967 1.00 0.00 H new ATOM 0 HG13 VAL A 574 3.000 -3.276 4.310 1.00 0.00 H new ATOM 0 HG21 VAL A 574 5.888 -4.135 3.647 1.00 0.00 H new ATOM 0 HG22 VAL A 574 5.231 -2.523 3.277 1.00 0.00 H new ATOM 0 HG23 VAL A 574 6.712 -2.677 4.251 1.00 0.00 H new ATOM 651 N HIS A 575 2.482 -1.542 6.846 1.00 0.00 N ATOM 652 CA HIS A 575 1.495 -1.581 7.917 1.00 0.00 C ATOM 653 C HIS A 575 0.314 -2.471 7.537 1.00 0.00 C ATOM 654 O HIS A 575 -0.543 -2.077 6.746 1.00 0.00 O ATOM 655 CB HIS A 575 1.002 -0.170 8.238 1.00 0.00 C ATOM 656 CG HIS A 575 1.967 0.629 9.059 1.00 0.00 C ATOM 657 ND1 HIS A 575 1.572 1.459 10.087 1.00 0.00 N ATOM 658 CD2 HIS A 575 3.316 0.721 9.000 1.00 0.00 C ATOM 659 CE1 HIS A 575 2.637 2.027 10.624 1.00 0.00 C ATOM 660 NE2 HIS A 575 3.708 1.596 9.983 1.00 0.00 N ATOM 0 H HIS A 575 2.107 -1.274 5.936 1.00 0.00 H new ATOM 0 HA HIS A 575 1.974 -2.000 8.802 1.00 0.00 H new ATOM 0 HB2 HIS A 575 0.807 0.359 7.305 1.00 0.00 H new ATOM 0 HB3 HIS A 575 0.053 -0.238 8.771 1.00 0.00 H new ATOM 0 HD2 HIS A 575 3.964 0.203 8.308 1.00 0.00 H new ATOM 0 HE1 HIS A 575 2.632 2.725 11.448 1.00 0.00 H new ATOM 0 HE2 HIS A 575 4.670 1.869 10.185 1.00 0.00 H new ATOM 668 N VAL A 576 0.278 -3.672 8.105 1.00 0.00 N ATOM 669 CA VAL A 576 -0.796 -4.617 7.825 1.00 0.00 C ATOM 670 C VAL A 576 -2.015 -4.338 8.699 1.00 0.00 C ATOM 671 O VAL A 576 -1.907 -4.238 9.921 1.00 0.00 O ATOM 672 CB VAL A 576 -0.339 -6.070 8.052 1.00 0.00 C ATOM 673 CG1 VAL A 576 -1.495 -7.035 7.835 1.00 0.00 C ATOM 674 CG2 VAL A 576 0.828 -6.410 7.138 1.00 0.00 C ATOM 0 H VAL A 576 0.980 -4.013 8.762 1.00 0.00 H new ATOM 0 HA VAL A 576 -1.065 -4.488 6.777 1.00 0.00 H new ATOM 0 HB VAL A 576 -0.004 -6.169 9.084 1.00 0.00 H new ATOM 0 HG11 VAL A 576 -1.152 -8.056 8.000 1.00 0.00 H new ATOM 0 HG12 VAL A 576 -2.298 -6.804 8.535 1.00 0.00 H new ATOM 0 HG13 VAL A 576 -1.864 -6.937 6.814 1.00 0.00 H new ATOM 0 HG21 VAL A 576 1.138 -7.440 7.312 1.00 0.00 H new ATOM 0 HG22 VAL A 576 0.522 -6.294 6.098 1.00 0.00 H new ATOM 0 HG23 VAL A 576 1.662 -5.740 7.348 1.00 0.00 H new ATOM 684 N LEU A 577 -3.174 -4.212 8.062 1.00 0.00 N ATOM 685 CA LEU A 577 -4.415 -3.944 8.781 1.00 0.00 C ATOM 686 C LEU A 577 -4.887 -5.183 9.535 1.00 0.00 C ATOM 687 O LEU A 577 -4.558 -6.311 9.165 1.00 0.00 O ATOM 688 CB LEU A 577 -5.502 -3.483 7.808 1.00 0.00 C ATOM 689 CG LEU A 577 -5.440 -2.016 7.380 1.00 0.00 C ATOM 690 CD1 LEU A 577 -6.487 -1.727 6.315 1.00 0.00 C ATOM 691 CD2 LEU A 577 -5.633 -1.102 8.581 1.00 0.00 C ATOM 0 H LEU A 577 -3.281 -4.291 7.051 1.00 0.00 H new ATOM 0 HA LEU A 577 -4.222 -3.152 9.504 1.00 0.00 H new ATOM 0 HB2 LEU A 577 -5.449 -4.104 6.914 1.00 0.00 H new ATOM 0 HB3 LEU A 577 -6.474 -3.666 8.266 1.00 0.00 H new ATOM 0 HG LEU A 577 -4.455 -1.822 6.955 1.00 0.00 H new ATOM 0 HD11 LEU A 577 -6.429 -0.679 6.022 1.00 0.00 H new ATOM 0 HD12 LEU A 577 -6.304 -2.357 5.445 1.00 0.00 H new ATOM 0 HD13 LEU A 577 -7.479 -1.938 6.714 1.00 0.00 H new ATOM 0 HD21 LEU A 577 -5.586 -0.062 8.258 1.00 0.00 H new ATOM 0 HD22 LEU A 577 -6.605 -1.298 9.035 1.00 0.00 H new ATOM 0 HD23 LEU A 577 -4.847 -1.291 9.312 1.00 0.00 H new ATOM 809 N GLY A 586 -8.019 -7.560 4.826 1.00 0.00 N ATOM 810 CA GLY A 586 -7.309 -7.919 3.613 1.00 0.00 C ATOM 811 C GLY A 586 -6.670 -6.721 2.938 1.00 0.00 C ATOM 812 O GLY A 586 -6.637 -6.638 1.712 1.00 0.00 O ATOM 0 HA2 GLY A 586 -6.538 -8.652 3.851 1.00 0.00 H new ATOM 0 HA3 GLY A 586 -8.000 -8.397 2.919 1.00 0.00 H new ATOM 816 N GLN A 587 -6.165 -5.792 3.742 1.00 0.00 N ATOM 817 CA GLN A 587 -5.526 -4.591 3.214 1.00 0.00 C ATOM 818 C GLN A 587 -4.255 -4.263 3.990 1.00 0.00 C ATOM 819 O GLN A 587 -4.133 -4.597 5.169 1.00 0.00 O ATOM 820 CB GLN A 587 -6.494 -3.406 3.273 1.00 0.00 C ATOM 821 CG GLN A 587 -7.756 -3.611 2.450 1.00 0.00 C ATOM 822 CD GLN A 587 -8.495 -2.314 2.185 1.00 0.00 C ATOM 823 OE1 GLN A 587 -8.359 -1.344 2.931 1.00 0.00 O ATOM 824 NE2 GLN A 587 -9.284 -2.290 1.118 1.00 0.00 N ATOM 0 H GLN A 587 -6.185 -5.847 4.760 1.00 0.00 H new ATOM 0 HA GLN A 587 -5.256 -4.781 2.175 1.00 0.00 H new ATOM 0 HB2 GLN A 587 -6.772 -3.226 4.311 1.00 0.00 H new ATOM 0 HB3 GLN A 587 -5.982 -2.511 2.921 1.00 0.00 H new ATOM 0 HG2 GLN A 587 -7.494 -4.077 1.500 1.00 0.00 H new ATOM 0 HG3 GLN A 587 -8.418 -4.302 2.972 1.00 0.00 H new ATOM 0 HE21 GLN A 587 -9.367 -3.117 0.527 1.00 0.00 H new ATOM 0 HE22 GLN A 587 -9.807 -1.445 0.889 1.00 0.00 H new ATOM 833 N ALA A 588 -3.312 -3.608 3.322 1.00 0.00 N ATOM 834 CA ALA A 588 -2.051 -3.235 3.950 1.00 0.00 C ATOM 835 C ALA A 588 -1.460 -1.990 3.296 1.00 0.00 C ATOM 836 O ALA A 588 -1.663 -1.745 2.106 1.00 0.00 O ATOM 837 CB ALA A 588 -1.063 -4.390 3.880 1.00 0.00 C ATOM 0 H ALA A 588 -3.397 -3.325 2.346 1.00 0.00 H new ATOM 0 HA ALA A 588 -2.249 -3.005 4.997 1.00 0.00 H new ATOM 0 HB1 ALA A 588 -0.126 -4.096 4.353 1.00 0.00 H new ATOM 0 HB2 ALA A 588 -1.476 -5.254 4.399 1.00 0.00 H new ATOM 0 HB3 ALA A 588 -0.878 -4.648 2.837 1.00 0.00 H new ATOM 843 N LEU A 589 -0.727 -1.207 4.081 1.00 0.00 N ATOM 844 CA LEU A 589 -0.107 0.014 3.578 1.00 0.00 C ATOM 845 C LEU A 589 1.408 -0.143 3.485 1.00 0.00 C ATOM 846 O LEU A 589 1.993 -1.011 4.134 1.00 0.00 O ATOM 847 CB LEU A 589 -0.453 1.196 4.484 1.00 0.00 C ATOM 848 CG LEU A 589 -1.886 1.722 4.384 1.00 0.00 C ATOM 849 CD1 LEU A 589 -2.219 2.597 5.582 1.00 0.00 C ATOM 850 CD2 LEU A 589 -2.082 2.493 3.087 1.00 0.00 C ATOM 0 H LEU A 589 -0.548 -1.396 5.067 1.00 0.00 H new ATOM 0 HA LEU A 589 -0.497 0.204 2.578 1.00 0.00 H new ATOM 0 HB2 LEU A 589 -0.266 0.903 5.517 1.00 0.00 H new ATOM 0 HB3 LEU A 589 0.230 2.015 4.256 1.00 0.00 H new ATOM 0 HG LEU A 589 -2.566 0.870 4.383 1.00 0.00 H new ATOM 0 HD11 LEU A 589 -3.242 2.962 5.493 1.00 0.00 H new ATOM 0 HD12 LEU A 589 -2.120 2.014 6.497 1.00 0.00 H new ATOM 0 HD13 LEU A 589 -1.534 3.444 5.616 1.00 0.00 H new ATOM 0 HD21 LEU A 589 -3.107 2.860 3.033 1.00 0.00 H new ATOM 0 HD22 LEU A 589 -1.393 3.337 3.058 1.00 0.00 H new ATOM 0 HD23 LEU A 589 -1.887 1.836 2.240 1.00 0.00 H new ATOM 862 N VAL A 590 2.037 0.703 2.676 1.00 0.00 N ATOM 863 CA VAL A 590 3.483 0.660 2.501 1.00 0.00 C ATOM 864 C VAL A 590 4.071 2.065 2.428 1.00 0.00 C ATOM 865 O VAL A 590 3.907 2.764 1.428 1.00 0.00 O ATOM 866 CB VAL A 590 3.872 -0.114 1.227 1.00 0.00 C ATOM 867 CG1 VAL A 590 5.383 -0.131 1.053 1.00 0.00 C ATOM 868 CG2 VAL A 590 3.316 -1.530 1.274 1.00 0.00 C ATOM 0 H VAL A 590 1.568 1.427 2.131 1.00 0.00 H new ATOM 0 HA VAL A 590 3.891 0.144 3.370 1.00 0.00 H new ATOM 0 HB VAL A 590 3.437 0.394 0.366 1.00 0.00 H new ATOM 0 HG11 VAL A 590 5.639 -0.682 0.148 1.00 0.00 H new ATOM 0 HG12 VAL A 590 5.751 0.892 0.972 1.00 0.00 H new ATOM 0 HG13 VAL A 590 5.843 -0.615 1.915 1.00 0.00 H new ATOM 0 HG21 VAL A 590 3.600 -2.063 0.366 1.00 0.00 H new ATOM 0 HG22 VAL A 590 3.720 -2.051 2.142 1.00 0.00 H new ATOM 0 HG23 VAL A 590 2.229 -1.492 1.347 1.00 0.00 H new ATOM 878 N GLN A 591 4.754 2.472 3.493 1.00 0.00 N ATOM 879 CA GLN A 591 5.365 3.795 3.548 1.00 0.00 C ATOM 880 C GLN A 591 6.805 3.750 3.048 1.00 0.00 C ATOM 881 O GLN A 591 7.655 3.081 3.633 1.00 0.00 O ATOM 882 CB GLN A 591 5.325 4.339 4.978 1.00 0.00 C ATOM 883 CG GLN A 591 5.872 5.750 5.107 1.00 0.00 C ATOM 884 CD GLN A 591 6.288 6.087 6.525 1.00 0.00 C ATOM 885 OE1 GLN A 591 5.577 5.783 7.482 1.00 0.00 O ATOM 886 NE2 GLN A 591 7.448 6.720 6.667 1.00 0.00 N ATOM 0 H GLN A 591 4.898 1.905 4.329 1.00 0.00 H new ATOM 0 HA GLN A 591 4.795 4.459 2.898 1.00 0.00 H new ATOM 0 HB2 GLN A 591 4.295 4.323 5.335 1.00 0.00 H new ATOM 0 HB3 GLN A 591 5.897 3.676 5.626 1.00 0.00 H new ATOM 0 HG2 GLN A 591 6.729 5.865 4.444 1.00 0.00 H new ATOM 0 HG3 GLN A 591 5.115 6.461 4.776 1.00 0.00 H new ATOM 0 HE21 GLN A 591 8.006 6.953 5.845 1.00 0.00 H new ATOM 0 HE22 GLN A 591 7.780 6.973 7.598 1.00 0.00 H new ATOM 895 N PHE A 592 7.071 4.469 1.963 1.00 0.00 N ATOM 896 CA PHE A 592 8.408 4.511 1.383 1.00 0.00 C ATOM 897 C PHE A 592 9.137 5.788 1.789 1.00 0.00 C ATOM 898 O PHE A 592 8.579 6.644 2.475 1.00 0.00 O ATOM 899 CB PHE A 592 8.329 4.418 -0.142 1.00 0.00 C ATOM 900 CG PHE A 592 7.822 3.093 -0.637 1.00 0.00 C ATOM 901 CD1 PHE A 592 8.614 1.959 -0.554 1.00 0.00 C ATOM 902 CD2 PHE A 592 6.554 2.983 -1.186 1.00 0.00 C ATOM 903 CE1 PHE A 592 8.150 0.738 -1.007 1.00 0.00 C ATOM 904 CE2 PHE A 592 6.086 1.764 -1.640 1.00 0.00 C ATOM 905 CZ PHE A 592 6.885 0.641 -1.552 1.00 0.00 C ATOM 0 H PHE A 592 6.378 5.031 1.468 1.00 0.00 H new ATOM 0 HA PHE A 592 8.969 3.657 1.763 1.00 0.00 H new ATOM 0 HB2 PHE A 592 7.677 5.209 -0.513 1.00 0.00 H new ATOM 0 HB3 PHE A 592 9.319 4.598 -0.561 1.00 0.00 H new ATOM 0 HD1 PHE A 592 9.605 2.030 -0.131 1.00 0.00 H new ATOM 0 HD2 PHE A 592 5.926 3.858 -1.260 1.00 0.00 H new ATOM 0 HE1 PHE A 592 8.776 -0.139 -0.935 1.00 0.00 H new ATOM 0 HE2 PHE A 592 5.095 1.690 -2.064 1.00 0.00 H new ATOM 0 HZ PHE A 592 6.521 -0.311 -1.909 1.00 0.00 H new ATOM 915 N LYS A 593 10.389 5.909 1.359 1.00 0.00 N ATOM 916 CA LYS A 593 11.197 7.081 1.677 1.00 0.00 C ATOM 917 C LYS A 593 11.079 8.136 0.580 1.00 0.00 C ATOM 918 O LYS A 593 10.793 9.300 0.854 1.00 0.00 O ATOM 919 CB LYS A 593 12.663 6.682 1.858 1.00 0.00 C ATOM 920 CG LYS A 593 12.973 6.119 3.234 1.00 0.00 C ATOM 921 CD LYS A 593 13.159 7.225 4.261 1.00 0.00 C ATOM 922 CE LYS A 593 14.503 7.916 4.098 1.00 0.00 C ATOM 923 NZ LYS A 593 14.705 8.984 5.116 1.00 0.00 N ATOM 0 H LYS A 593 10.866 5.210 0.790 1.00 0.00 H new ATOM 0 HA LYS A 593 10.825 7.506 2.609 1.00 0.00 H new ATOM 0 HB2 LYS A 593 12.925 5.940 1.103 1.00 0.00 H new ATOM 0 HB3 LYS A 593 13.293 7.554 1.681 1.00 0.00 H new ATOM 0 HG2 LYS A 593 12.164 5.461 3.550 1.00 0.00 H new ATOM 0 HG3 LYS A 593 13.877 5.512 3.184 1.00 0.00 H new ATOM 0 HD2 LYS A 593 12.358 7.957 4.158 1.00 0.00 H new ATOM 0 HD3 LYS A 593 13.083 6.807 5.265 1.00 0.00 H new ATOM 0 HE2 LYS A 593 15.302 7.180 4.181 1.00 0.00 H new ATOM 0 HE3 LYS A 593 14.570 8.348 3.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 593 15.633 9.431 4.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 593 13.957 9.700 5.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 593 14.666 8.568 6.068 1.00 0.00 H new ATOM 937 N ASN A 594 11.299 7.718 -0.662 1.00 0.00 N ATOM 938 CA ASN A 594 11.216 8.627 -1.801 1.00 0.00 C ATOM 939 C ASN A 594 10.436 7.993 -2.948 1.00 0.00 C ATOM 940 O ASN A 594 10.272 6.774 -3.000 1.00 0.00 O ATOM 941 CB ASN A 594 12.618 9.014 -2.274 1.00 0.00 C ATOM 942 CG ASN A 594 13.600 9.148 -1.126 1.00 0.00 C ATOM 943 OD1 ASN A 594 13.292 10.030 -0.184 1.00 0.00 O flip ATOM 944 ND2 ASN A 594 14.623 8.463 -1.087 1.00 0.00 N flip ATOM 0 H ASN A 594 11.536 6.756 -0.906 1.00 0.00 H new ATOM 0 HA ASN A 594 10.688 9.525 -1.480 1.00 0.00 H new ATOM 0 HB2 ASN A 594 12.982 8.262 -2.974 1.00 0.00 H new ATOM 0 HB3 ASN A 594 12.567 9.958 -2.817 1.00 0.00 H new ATOM 0 HD21 ASN A 594 14.819 7.797 -1.834 1.00 0.00 H new ATOM 0 HD22 ASN A 594 15.274 8.562 -0.308 1.00 0.00 H new ATOM 951 N GLU A 595 9.957 8.828 -3.864 1.00 0.00 N ATOM 952 CA GLU A 595 9.194 8.348 -5.010 1.00 0.00 C ATOM 953 C GLU A 595 9.900 7.173 -5.680 1.00 0.00 C ATOM 954 O GLU A 595 9.268 6.182 -6.045 1.00 0.00 O ATOM 955 CB GLU A 595 8.988 9.477 -6.023 1.00 0.00 C ATOM 956 CG GLU A 595 8.207 10.657 -5.469 1.00 0.00 C ATOM 957 CD GLU A 595 7.524 11.465 -6.555 1.00 0.00 C ATOM 958 OE1 GLU A 595 8.237 12.114 -7.349 1.00 0.00 O ATOM 959 OE2 GLU A 595 6.277 11.451 -6.608 1.00 0.00 O ATOM 0 H GLU A 595 10.084 9.840 -3.835 1.00 0.00 H new ATOM 0 HA GLU A 595 8.222 8.009 -4.651 1.00 0.00 H new ATOM 0 HB2 GLU A 595 9.961 9.826 -6.368 1.00 0.00 H new ATOM 0 HB3 GLU A 595 8.464 9.082 -6.893 1.00 0.00 H new ATOM 0 HG2 GLU A 595 7.458 10.294 -4.766 1.00 0.00 H new ATOM 0 HG3 GLU A 595 8.882 11.305 -4.910 1.00 0.00 H new ATOM 966 N ASP A 596 11.214 7.291 -5.837 1.00 0.00 N ATOM 967 CA ASP A 596 12.006 6.238 -6.462 1.00 0.00 C ATOM 968 C ASP A 596 11.538 4.861 -6.003 1.00 0.00 C ATOM 969 O ASP A 596 11.710 3.868 -6.713 1.00 0.00 O ATOM 970 CB ASP A 596 13.489 6.423 -6.132 1.00 0.00 C ATOM 971 CG ASP A 596 14.395 5.726 -7.128 1.00 0.00 C ATOM 972 OD1 ASP A 596 14.716 4.540 -6.911 1.00 0.00 O ATOM 973 OD2 ASP A 596 14.782 6.369 -8.127 1.00 0.00 O ATOM 0 H ASP A 596 11.753 8.105 -5.540 1.00 0.00 H new ATOM 0 HA ASP A 596 11.870 6.306 -7.541 1.00 0.00 H new ATOM 0 HB2 ASP A 596 13.724 7.487 -6.114 1.00 0.00 H new ATOM 0 HB3 ASP A 596 13.687 6.036 -5.132 1.00 0.00 H new ATOM 978 N ASP A 597 10.948 4.807 -4.814 1.00 0.00 N ATOM 979 CA ASP A 597 10.456 3.551 -4.262 1.00 0.00 C ATOM 980 C ASP A 597 8.965 3.381 -4.541 1.00 0.00 C ATOM 981 O ASP A 597 8.514 2.301 -4.919 1.00 0.00 O ATOM 982 CB ASP A 597 10.713 3.497 -2.755 1.00 0.00 C ATOM 983 CG ASP A 597 12.187 3.371 -2.424 1.00 0.00 C ATOM 984 OD1 ASP A 597 12.974 4.223 -2.885 1.00 0.00 O ATOM 985 OD2 ASP A 597 12.553 2.419 -1.702 1.00 0.00 O ATOM 0 H ASP A 597 10.799 5.619 -4.214 1.00 0.00 H new ATOM 0 HA ASP A 597 10.994 2.735 -4.745 1.00 0.00 H new ATOM 0 HB2 ASP A 597 10.315 4.398 -2.289 1.00 0.00 H new ATOM 0 HB3 ASP A 597 10.174 2.652 -2.327 1.00 0.00 H new ATOM 990 N ALA A 598 8.207 4.456 -4.352 1.00 0.00 N ATOM 991 CA ALA A 598 6.769 4.427 -4.584 1.00 0.00 C ATOM 992 C ALA A 598 6.454 4.113 -6.044 1.00 0.00 C ATOM 993 O ALA A 598 5.676 3.207 -6.340 1.00 0.00 O ATOM 994 CB ALA A 598 6.141 5.753 -4.181 1.00 0.00 C ATOM 0 H ALA A 598 8.566 5.358 -4.039 1.00 0.00 H new ATOM 0 HA ALA A 598 6.344 3.634 -3.968 1.00 0.00 H new ATOM 0 HB1 ALA A 598 5.066 5.716 -4.360 1.00 0.00 H new ATOM 0 HB2 ALA A 598 6.326 5.937 -3.123 1.00 0.00 H new ATOM 0 HB3 ALA A 598 6.580 6.558 -4.771 1.00 0.00 H new ATOM 1000 N ARG A 599 7.066 4.868 -6.951 1.00 0.00 N ATOM 1001 CA ARG A 599 6.850 4.672 -8.379 1.00 0.00 C ATOM 1002 C ARG A 599 6.908 3.190 -8.739 1.00 0.00 C ATOM 1003 O ARG A 599 6.111 2.703 -9.541 1.00 0.00 O ATOM 1004 CB ARG A 599 7.895 5.444 -9.185 1.00 0.00 C ATOM 1005 CG ARG A 599 7.484 6.872 -9.506 1.00 0.00 C ATOM 1006 CD ARG A 599 8.051 7.329 -10.842 1.00 0.00 C ATOM 1007 NE ARG A 599 7.137 7.050 -11.947 1.00 0.00 N ATOM 1008 CZ ARG A 599 6.073 7.795 -12.225 1.00 0.00 C ATOM 1009 NH1 ARG A 599 5.790 8.857 -11.484 1.00 0.00 N ATOM 1010 NH2 ARG A 599 5.290 7.478 -13.248 1.00 0.00 N ATOM 0 H ARG A 599 7.715 5.621 -6.722 1.00 0.00 H new ATOM 0 HA ARG A 599 5.858 5.050 -8.626 1.00 0.00 H new ATOM 0 HB2 ARG A 599 8.832 5.461 -8.628 1.00 0.00 H new ATOM 0 HB3 ARG A 599 8.088 4.912 -10.117 1.00 0.00 H new ATOM 0 HG2 ARG A 599 6.396 6.942 -9.528 1.00 0.00 H new ATOM 0 HG3 ARG A 599 7.831 7.538 -8.716 1.00 0.00 H new ATOM 0 HD2 ARG A 599 8.256 8.399 -10.802 1.00 0.00 H new ATOM 0 HD3 ARG A 599 9.002 6.828 -11.023 1.00 0.00 H new ATOM 0 HE ARG A 599 7.326 6.240 -12.537 1.00 0.00 H new ATOM 0 HH11 ARG A 599 6.390 9.105 -10.697 1.00 0.00 H new ATOM 0 HH12 ARG A 599 4.972 9.427 -11.701 1.00 0.00 H new ATOM 0 HH21 ARG A 599 5.505 6.662 -13.821 1.00 0.00 H new ATOM 0 HH22 ARG A 599 4.473 8.050 -13.461 1.00 0.00 H new ATOM 1024 N LYS A 600 7.856 2.477 -8.140 1.00 0.00 N ATOM 1025 CA LYS A 600 8.019 1.052 -8.396 1.00 0.00 C ATOM 1026 C LYS A 600 6.757 0.282 -8.013 1.00 0.00 C ATOM 1027 O LYS A 600 6.363 -0.660 -8.699 1.00 0.00 O ATOM 1028 CB LYS A 600 9.217 0.506 -7.616 1.00 0.00 C ATOM 1029 CG LYS A 600 10.559 0.960 -8.165 1.00 0.00 C ATOM 1030 CD LYS A 600 11.709 0.466 -7.305 1.00 0.00 C ATOM 1031 CE LYS A 600 13.034 0.547 -8.049 1.00 0.00 C ATOM 1032 NZ LYS A 600 14.165 0.035 -7.224 1.00 0.00 N ATOM 0 H LYS A 600 8.524 2.864 -7.473 1.00 0.00 H new ATOM 0 HA LYS A 600 8.196 0.919 -9.463 1.00 0.00 H new ATOM 0 HB2 LYS A 600 9.135 0.819 -6.575 1.00 0.00 H new ATOM 0 HB3 LYS A 600 9.180 -0.583 -7.625 1.00 0.00 H new ATOM 0 HG2 LYS A 600 10.680 0.591 -9.183 1.00 0.00 H new ATOM 0 HG3 LYS A 600 10.583 2.049 -8.216 1.00 0.00 H new ATOM 0 HD2 LYS A 600 11.765 1.061 -6.393 1.00 0.00 H new ATOM 0 HD3 LYS A 600 11.522 -0.564 -7.002 1.00 0.00 H new ATOM 0 HE2 LYS A 600 12.968 -0.029 -8.972 1.00 0.00 H new ATOM 0 HE3 LYS A 600 13.229 1.581 -8.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 600 15.050 0.107 -7.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 600 14.244 0.600 -6.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 600 13.991 -0.960 -6.976 1.00 0.00 H new ATOM 1046 N SER A 601 6.130 0.693 -6.915 1.00 0.00 N ATOM 1047 CA SER A 601 4.915 0.041 -6.441 1.00 0.00 C ATOM 1048 C SER A 601 3.830 0.068 -7.514 1.00 0.00 C ATOM 1049 O SER A 601 3.061 -0.883 -7.657 1.00 0.00 O ATOM 1050 CB SER A 601 4.408 0.724 -5.170 1.00 0.00 C ATOM 1051 OG SER A 601 3.725 1.928 -5.475 1.00 0.00 O ATOM 0 H SER A 601 6.443 1.474 -6.338 1.00 0.00 H new ATOM 0 HA SER A 601 5.154 -0.999 -6.216 1.00 0.00 H new ATOM 0 HB2 SER A 601 3.741 0.050 -4.633 1.00 0.00 H new ATOM 0 HB3 SER A 601 5.247 0.936 -4.508 1.00 0.00 H new ATOM 0 HG SER A 601 4.245 2.443 -6.127 1.00 0.00 H new ATOM 1057 N GLU A 602 3.776 1.163 -8.265 1.00 0.00 N ATOM 1058 CA GLU A 602 2.785 1.314 -9.324 1.00 0.00 C ATOM 1059 C GLU A 602 2.973 0.249 -10.401 1.00 0.00 C ATOM 1060 O GLU A 602 2.025 -0.126 -11.089 1.00 0.00 O ATOM 1061 CB GLU A 602 2.881 2.708 -9.948 1.00 0.00 C ATOM 1062 CG GLU A 602 2.542 3.832 -8.983 1.00 0.00 C ATOM 1063 CD GLU A 602 2.846 5.203 -9.553 1.00 0.00 C ATOM 1064 OE1 GLU A 602 3.998 5.424 -9.984 1.00 0.00 O ATOM 1065 OE2 GLU A 602 1.933 6.055 -9.570 1.00 0.00 O ATOM 0 H GLU A 602 4.406 1.958 -8.160 1.00 0.00 H new ATOM 0 HA GLU A 602 1.797 1.189 -8.882 1.00 0.00 H new ATOM 0 HB2 GLU A 602 3.892 2.858 -10.327 1.00 0.00 H new ATOM 0 HB3 GLU A 602 2.209 2.761 -10.804 1.00 0.00 H new ATOM 0 HG2 GLU A 602 1.485 3.777 -8.724 1.00 0.00 H new ATOM 0 HG3 GLU A 602 3.104 3.694 -8.059 1.00 0.00 H new ATOM 1072 N ARG A 603 4.203 -0.233 -10.540 1.00 0.00 N ATOM 1073 CA ARG A 603 4.518 -1.252 -11.533 1.00 0.00 C ATOM 1074 C ARG A 603 3.878 -2.587 -11.162 1.00 0.00 C ATOM 1075 O ARG A 603 3.519 -3.380 -12.034 1.00 0.00 O ATOM 1076 CB ARG A 603 6.032 -1.418 -11.664 1.00 0.00 C ATOM 1077 CG ARG A 603 6.445 -2.418 -12.731 1.00 0.00 C ATOM 1078 CD ARG A 603 6.083 -1.927 -14.125 1.00 0.00 C ATOM 1079 NE ARG A 603 4.734 -2.329 -14.513 1.00 0.00 N ATOM 1080 CZ ARG A 603 4.142 -1.932 -15.634 1.00 0.00 C ATOM 1081 NH1 ARG A 603 4.779 -1.127 -16.473 1.00 0.00 N ATOM 1082 NH2 ARG A 603 2.912 -2.342 -15.918 1.00 0.00 N ATOM 0 H ARG A 603 4.999 0.066 -9.977 1.00 0.00 H new ATOM 0 HA ARG A 603 4.113 -0.928 -12.491 1.00 0.00 H new ATOM 0 HB2 ARG A 603 6.477 -0.450 -11.894 1.00 0.00 H new ATOM 0 HB3 ARG A 603 6.439 -1.735 -10.704 1.00 0.00 H new ATOM 0 HG2 ARG A 603 7.520 -2.591 -12.673 1.00 0.00 H new ATOM 0 HG3 ARG A 603 5.957 -3.375 -12.543 1.00 0.00 H new ATOM 0 HD2 ARG A 603 6.161 -0.840 -14.158 1.00 0.00 H new ATOM 0 HD3 ARG A 603 6.800 -2.320 -14.846 1.00 0.00 H new ATOM 0 HE ARG A 603 4.218 -2.949 -13.889 1.00 0.00 H new ATOM 0 HH11 ARG A 603 5.725 -0.812 -16.258 1.00 0.00 H new ATOM 0 HH12 ARG A 603 4.323 -0.823 -17.333 1.00 0.00 H new ATOM 0 HH21 ARG A 603 2.420 -2.963 -15.275 1.00 0.00 H new ATOM 0 HH22 ARG A 603 2.459 -2.036 -16.779 1.00 0.00 H new ATOM 1096 N LEU A 604 3.741 -2.831 -9.863 1.00 0.00 N ATOM 1097 CA LEU A 604 3.147 -4.070 -9.375 1.00 0.00 C ATOM 1098 C LEU A 604 1.624 -3.975 -9.360 1.00 0.00 C ATOM 1099 O LEU A 604 0.947 -4.784 -8.725 1.00 0.00 O ATOM 1100 CB LEU A 604 3.663 -4.390 -7.972 1.00 0.00 C ATOM 1101 CG LEU A 604 5.152 -4.724 -7.864 1.00 0.00 C ATOM 1102 CD1 LEU A 604 5.568 -4.839 -6.406 1.00 0.00 C ATOM 1103 CD2 LEU A 604 5.465 -6.010 -8.613 1.00 0.00 C ATOM 0 H LEU A 604 4.034 -2.186 -9.129 1.00 0.00 H new ATOM 0 HA LEU A 604 3.436 -4.873 -10.053 1.00 0.00 H new ATOM 0 HB2 LEU A 604 3.455 -3.537 -7.327 1.00 0.00 H new ATOM 0 HB3 LEU A 604 3.093 -5.232 -7.580 1.00 0.00 H new ATOM 0 HG LEU A 604 5.721 -3.914 -8.320 1.00 0.00 H new ATOM 0 HD11 LEU A 604 6.630 -5.077 -6.348 1.00 0.00 H new ATOM 0 HD12 LEU A 604 5.380 -3.893 -5.898 1.00 0.00 H new ATOM 0 HD13 LEU A 604 4.992 -5.630 -5.925 1.00 0.00 H new ATOM 0 HD21 LEU A 604 6.528 -6.232 -8.526 1.00 0.00 H new ATOM 0 HD22 LEU A 604 4.887 -6.830 -8.186 1.00 0.00 H new ATOM 0 HD23 LEU A 604 5.204 -5.891 -9.665 1.00 0.00 H new ATOM 1115 N HIS A 605 1.092 -2.981 -10.064 1.00 0.00 N ATOM 1116 CA HIS A 605 -0.352 -2.780 -10.134 1.00 0.00 C ATOM 1117 C HIS A 605 -1.029 -3.951 -10.840 1.00 0.00 C ATOM 1118 O HIS A 605 -0.438 -4.589 -11.711 1.00 0.00 O ATOM 1119 CB HIS A 605 -0.672 -1.475 -10.862 1.00 0.00 C ATOM 1120 CG HIS A 605 -2.136 -1.162 -10.915 1.00 0.00 C ATOM 1121 ND1 HIS A 605 -2.994 -1.395 -9.860 1.00 0.00 N ATOM 1122 CD2 HIS A 605 -2.893 -0.631 -11.903 1.00 0.00 C ATOM 1123 CE1 HIS A 605 -4.215 -1.022 -10.198 1.00 0.00 C ATOM 1124 NE2 HIS A 605 -4.181 -0.554 -11.433 1.00 0.00 N ATOM 0 H HIS A 605 1.638 -2.302 -10.594 1.00 0.00 H new ATOM 0 HA HIS A 605 -0.736 -2.721 -9.116 1.00 0.00 H new ATOM 0 HB2 HIS A 605 -0.151 -0.655 -10.367 1.00 0.00 H new ATOM 0 HB3 HIS A 605 -0.284 -1.531 -11.879 1.00 0.00 H new ATOM 0 HD2 HIS A 605 -2.548 -0.325 -12.880 1.00 0.00 H new ATOM 0 HE1 HIS A 605 -5.092 -1.088 -9.571 1.00 0.00 H new ATOM 0 HE2 HIS A 605 -4.981 -0.194 -11.953 1.00 0.00 H new ATOM 1132 N ARG A 606 -2.271 -4.228 -10.458 1.00 0.00 N ATOM 1133 CA ARG A 606 -3.028 -5.323 -11.053 1.00 0.00 C ATOM 1134 C ARG A 606 -2.194 -6.600 -11.097 1.00 0.00 C ATOM 1135 O ARG A 606 -2.158 -7.296 -12.112 1.00 0.00 O ATOM 1136 CB ARG A 606 -3.481 -4.949 -12.465 1.00 0.00 C ATOM 1137 CG ARG A 606 -4.266 -3.648 -12.529 1.00 0.00 C ATOM 1138 CD ARG A 606 -4.432 -3.167 -13.961 1.00 0.00 C ATOM 1139 NE ARG A 606 -5.629 -2.347 -14.128 1.00 0.00 N ATOM 1140 CZ ARG A 606 -5.875 -1.618 -15.211 1.00 0.00 C ATOM 1141 NH1 ARG A 606 -5.013 -1.607 -16.218 1.00 0.00 N ATOM 1142 NH2 ARG A 606 -6.987 -0.898 -15.289 1.00 0.00 N ATOM 0 H ARG A 606 -2.775 -3.709 -9.739 1.00 0.00 H new ATOM 0 HA ARG A 606 -3.906 -5.504 -10.432 1.00 0.00 H new ATOM 0 HB2 ARG A 606 -2.605 -4.867 -13.109 1.00 0.00 H new ATOM 0 HB3 ARG A 606 -4.096 -5.755 -12.865 1.00 0.00 H new ATOM 0 HG2 ARG A 606 -5.247 -3.791 -12.076 1.00 0.00 H new ATOM 0 HG3 ARG A 606 -3.754 -2.884 -11.945 1.00 0.00 H new ATOM 0 HD2 ARG A 606 -3.554 -2.591 -14.254 1.00 0.00 H new ATOM 0 HD3 ARG A 606 -4.486 -4.027 -14.628 1.00 0.00 H new ATOM 0 HE ARG A 606 -6.313 -2.333 -13.372 1.00 0.00 H new ATOM 0 HH11 ARG A 606 -4.157 -2.160 -16.163 1.00 0.00 H new ATOM 0 HH12 ARG A 606 -5.205 -1.046 -17.048 1.00 0.00 H new ATOM 0 HH21 ARG A 606 -7.654 -0.904 -14.517 1.00 0.00 H new ATOM 0 HH22 ARG A 606 -7.175 -0.339 -16.121 1.00 0.00 H new ATOM 1156 N LYS A 607 -1.524 -6.900 -9.990 1.00 0.00 N ATOM 1157 CA LYS A 607 -0.689 -8.093 -9.900 1.00 0.00 C ATOM 1158 C LYS A 607 -1.493 -9.281 -9.380 1.00 0.00 C ATOM 1159 O LYS A 607 -2.643 -9.132 -8.967 1.00 0.00 O ATOM 1160 CB LYS A 607 0.509 -7.834 -8.985 1.00 0.00 C ATOM 1161 CG LYS A 607 1.724 -7.286 -9.712 1.00 0.00 C ATOM 1162 CD LYS A 607 2.448 -8.375 -10.487 1.00 0.00 C ATOM 1163 CE LYS A 607 3.347 -9.201 -9.580 1.00 0.00 C ATOM 1164 NZ LYS A 607 4.157 -10.185 -10.350 1.00 0.00 N ATOM 0 H LYS A 607 -1.543 -6.334 -9.142 1.00 0.00 H new ATOM 0 HA LYS A 607 -0.329 -8.331 -10.901 1.00 0.00 H new ATOM 0 HB2 LYS A 607 0.215 -7.131 -8.206 1.00 0.00 H new ATOM 0 HB3 LYS A 607 0.783 -8.764 -8.488 1.00 0.00 H new ATOM 0 HG2 LYS A 607 1.414 -6.496 -10.396 1.00 0.00 H new ATOM 0 HG3 LYS A 607 2.407 -6.835 -8.992 1.00 0.00 H new ATOM 0 HD2 LYS A 607 1.719 -9.026 -10.969 1.00 0.00 H new ATOM 0 HD3 LYS A 607 3.045 -7.924 -11.279 1.00 0.00 H new ATOM 0 HE2 LYS A 607 4.011 -8.538 -9.026 1.00 0.00 H new ATOM 0 HE3 LYS A 607 2.737 -9.728 -8.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 607 4.756 -10.728 -9.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 607 3.523 -10.834 -10.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 607 4.758 -9.681 -11.033 1.00 0.00 H new ATOM 1178 N LYS A 608 -0.880 -10.460 -9.403 1.00 0.00 N ATOM 1179 CA LYS A 608 -1.535 -11.673 -8.931 1.00 0.00 C ATOM 1180 C LYS A 608 -0.829 -12.231 -7.700 1.00 0.00 C ATOM 1181 O LYS A 608 0.220 -12.866 -7.809 1.00 0.00 O ATOM 1182 CB LYS A 608 -1.560 -12.727 -10.040 1.00 0.00 C ATOM 1183 CG LYS A 608 -2.209 -12.244 -11.325 1.00 0.00 C ATOM 1184 CD LYS A 608 -2.225 -13.331 -12.386 1.00 0.00 C ATOM 1185 CE LYS A 608 -2.566 -12.769 -13.757 1.00 0.00 C ATOM 1186 NZ LYS A 608 -2.203 -13.713 -14.850 1.00 0.00 N ATOM 0 H LYS A 608 0.071 -10.600 -9.744 1.00 0.00 H new ATOM 0 HA LYS A 608 -2.559 -11.419 -8.655 1.00 0.00 H new ATOM 0 HB2 LYS A 608 -0.538 -13.040 -10.255 1.00 0.00 H new ATOM 0 HB3 LYS A 608 -2.095 -13.607 -9.681 1.00 0.00 H new ATOM 0 HG2 LYS A 608 -3.229 -11.921 -11.119 1.00 0.00 H new ATOM 0 HG3 LYS A 608 -1.669 -11.375 -11.702 1.00 0.00 H new ATOM 0 HD2 LYS A 608 -1.251 -13.818 -12.424 1.00 0.00 H new ATOM 0 HD3 LYS A 608 -2.953 -14.095 -12.114 1.00 0.00 H new ATOM 0 HE2 LYS A 608 -3.633 -12.551 -13.805 1.00 0.00 H new ATOM 0 HE3 LYS A 608 -2.041 -11.825 -13.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 608 -2.451 -13.293 -15.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 608 -1.181 -13.902 -14.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 608 -2.723 -14.605 -14.725 1.00 0.00 H new ATOM 1200 N LEU A 609 -1.411 -11.991 -6.530 1.00 0.00 N ATOM 1201 CA LEU A 609 -0.837 -12.471 -5.277 1.00 0.00 C ATOM 1202 C LEU A 609 -1.560 -13.724 -4.793 1.00 0.00 C ATOM 1203 O LEU A 609 -2.697 -13.655 -4.328 1.00 0.00 O ATOM 1204 CB LEU A 609 -0.912 -11.380 -4.209 1.00 0.00 C ATOM 1205 CG LEU A 609 -0.040 -11.594 -2.970 1.00 0.00 C ATOM 1206 CD1 LEU A 609 -0.056 -10.355 -2.087 1.00 0.00 C ATOM 1207 CD2 LEU A 609 -0.512 -12.812 -2.190 1.00 0.00 C ATOM 0 H LEU A 609 -2.280 -11.467 -6.423 1.00 0.00 H new ATOM 0 HA LEU A 609 0.208 -12.723 -5.457 1.00 0.00 H new ATOM 0 HB2 LEU A 609 -0.632 -10.431 -4.667 1.00 0.00 H new ATOM 0 HB3 LEU A 609 -1.949 -11.285 -3.887 1.00 0.00 H new ATOM 0 HG LEU A 609 0.985 -11.771 -3.296 1.00 0.00 H new ATOM 0 HD11 LEU A 609 0.569 -10.525 -1.210 1.00 0.00 H new ATOM 0 HD12 LEU A 609 0.329 -9.503 -2.648 1.00 0.00 H new ATOM 0 HD13 LEU A 609 -1.078 -10.148 -1.769 1.00 0.00 H new ATOM 0 HD21 LEU A 609 0.120 -12.949 -1.312 1.00 0.00 H new ATOM 0 HD22 LEU A 609 -1.545 -12.664 -1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 609 -0.449 -13.697 -2.824 1.00 0.00 H new ATOM 1219 N ASN A 610 -0.891 -14.867 -4.902 1.00 0.00 N ATOM 1220 CA ASN A 610 -1.468 -16.136 -4.474 1.00 0.00 C ATOM 1221 C ASN A 610 -2.716 -16.467 -5.285 1.00 0.00 C ATOM 1222 O ASN A 610 -3.615 -17.159 -4.808 1.00 0.00 O ATOM 1223 CB ASN A 610 -1.814 -16.084 -2.984 1.00 0.00 C ATOM 1224 CG ASN A 610 -0.600 -16.300 -2.100 1.00 0.00 C ATOM 1225 OD1 ASN A 610 0.527 -16.387 -2.587 1.00 0.00 O ATOM 1226 ND2 ASN A 610 -0.827 -16.388 -0.795 1.00 0.00 N ATOM 0 H ASN A 610 0.052 -14.940 -5.283 1.00 0.00 H new ATOM 0 HA ASN A 610 -0.729 -16.919 -4.643 1.00 0.00 H new ATOM 0 HB2 ASN A 610 -2.262 -15.118 -2.751 1.00 0.00 H new ATOM 0 HB3 ASN A 610 -2.562 -16.844 -2.761 1.00 0.00 H new ATOM 0 HD21 ASN A 610 -0.050 -16.534 -0.151 1.00 0.00 H new ATOM 0 HD22 ASN A 610 -1.779 -16.310 -0.436 1.00 0.00 H new ATOM 1233 N GLY A 611 -2.764 -15.968 -6.517 1.00 0.00 N ATOM 1234 CA GLY A 611 -3.905 -16.222 -7.376 1.00 0.00 C ATOM 1235 C GLY A 611 -5.011 -15.203 -7.189 1.00 0.00 C ATOM 1236 O GLY A 611 -6.142 -15.415 -7.627 1.00 0.00 O ATOM 0 H GLY A 611 -2.033 -15.393 -6.935 1.00 0.00 H new ATOM 0 HA2 GLY A 611 -3.581 -16.215 -8.417 1.00 0.00 H new ATOM 0 HA3 GLY A 611 -4.295 -17.219 -7.171 1.00 0.00 H new ATOM 1240 N ARG A 612 -4.685 -14.094 -6.534 1.00 0.00 N ATOM 1241 CA ARG A 612 -5.661 -13.039 -6.286 1.00 0.00 C ATOM 1242 C ARG A 612 -5.196 -11.716 -6.889 1.00 0.00 C ATOM 1243 O ARG A 612 -4.094 -11.248 -6.606 1.00 0.00 O ATOM 1244 CB ARG A 612 -5.894 -12.873 -4.783 1.00 0.00 C ATOM 1245 CG ARG A 612 -6.908 -13.850 -4.212 1.00 0.00 C ATOM 1246 CD ARG A 612 -8.331 -13.343 -4.388 1.00 0.00 C ATOM 1247 NE ARG A 612 -8.720 -13.279 -5.793 1.00 0.00 N ATOM 1248 CZ ARG A 612 -8.947 -14.353 -6.542 1.00 0.00 C ATOM 1249 NH1 ARG A 612 -8.826 -15.565 -6.022 1.00 0.00 N ATOM 1250 NH2 ARG A 612 -9.298 -14.214 -7.815 1.00 0.00 N ATOM 0 H ARG A 612 -3.753 -13.902 -6.166 1.00 0.00 H new ATOM 0 HA ARG A 612 -6.598 -13.326 -6.762 1.00 0.00 H new ATOM 0 HB2 ARG A 612 -4.946 -13.000 -4.261 1.00 0.00 H new ATOM 0 HB3 ARG A 612 -6.232 -11.856 -4.587 1.00 0.00 H new ATOM 0 HG2 ARG A 612 -6.801 -14.816 -4.705 1.00 0.00 H new ATOM 0 HG3 ARG A 612 -6.706 -14.009 -3.153 1.00 0.00 H new ATOM 0 HD2 ARG A 612 -9.018 -13.998 -3.851 1.00 0.00 H new ATOM 0 HD3 ARG A 612 -8.421 -12.353 -3.942 1.00 0.00 H new ATOM 0 HE ARG A 612 -8.823 -12.360 -6.224 1.00 0.00 H new ATOM 0 HH11 ARG A 612 -8.558 -15.676 -5.044 1.00 0.00 H new ATOM 0 HH12 ARG A 612 -9.001 -16.387 -6.599 1.00 0.00 H new ATOM 0 HH21 ARG A 612 -9.394 -13.282 -8.219 1.00 0.00 H new ATOM 0 HH22 ARG A 612 -9.472 -15.039 -8.389 1.00 0.00 H new ATOM 1264 N GLU A 613 -6.045 -11.120 -7.721 1.00 0.00 N ATOM 1265 CA GLU A 613 -5.720 -9.853 -8.365 1.00 0.00 C ATOM 1266 C GLU A 613 -5.722 -8.711 -7.350 1.00 0.00 C ATOM 1267 O GLU A 613 -6.757 -8.384 -6.773 1.00 0.00 O ATOM 1268 CB GLU A 613 -6.715 -9.554 -9.487 1.00 0.00 C ATOM 1269 CG GLU A 613 -6.716 -10.596 -10.592 1.00 0.00 C ATOM 1270 CD GLU A 613 -7.624 -11.771 -10.286 1.00 0.00 C ATOM 1271 OE1 GLU A 613 -8.857 -11.611 -10.389 1.00 0.00 O ATOM 1272 OE2 GLU A 613 -7.100 -12.852 -9.943 1.00 0.00 O ATOM 0 H GLU A 613 -6.962 -11.494 -7.964 1.00 0.00 H new ATOM 0 HA GLU A 613 -4.720 -9.938 -8.791 1.00 0.00 H new ATOM 0 HB2 GLU A 613 -7.717 -9.484 -9.064 1.00 0.00 H new ATOM 0 HB3 GLU A 613 -6.482 -8.580 -9.918 1.00 0.00 H new ATOM 0 HG2 GLU A 613 -7.033 -10.130 -11.525 1.00 0.00 H new ATOM 0 HG3 GLU A 613 -5.699 -10.958 -10.746 1.00 0.00 H new ATOM 1279 N ALA A 614 -4.555 -8.112 -7.141 1.00 0.00 N ATOM 1280 CA ALA A 614 -4.421 -7.008 -6.199 1.00 0.00 C ATOM 1281 C ALA A 614 -4.235 -5.682 -6.930 1.00 0.00 C ATOM 1282 O ALA A 614 -3.789 -5.652 -8.076 1.00 0.00 O ATOM 1283 CB ALA A 614 -3.257 -7.259 -5.252 1.00 0.00 C ATOM 0 H ALA A 614 -3.688 -8.373 -7.611 1.00 0.00 H new ATOM 0 HA ALA A 614 -5.341 -6.946 -5.617 1.00 0.00 H new ATOM 0 HB1 ALA A 614 -3.169 -6.426 -4.554 1.00 0.00 H new ATOM 0 HB2 ALA A 614 -3.432 -8.181 -4.697 1.00 0.00 H new ATOM 0 HB3 ALA A 614 -2.335 -7.351 -5.825 1.00 0.00 H new ATOM 1289 N PHE A 615 -4.581 -4.588 -6.259 1.00 0.00 N ATOM 1290 CA PHE A 615 -4.453 -3.260 -6.845 1.00 0.00 C ATOM 1291 C PHE A 615 -3.643 -2.339 -5.937 1.00 0.00 C ATOM 1292 O PHE A 615 -3.903 -2.247 -4.738 1.00 0.00 O ATOM 1293 CB PHE A 615 -5.836 -2.656 -7.100 1.00 0.00 C ATOM 1294 CG PHE A 615 -6.719 -3.521 -7.953 1.00 0.00 C ATOM 1295 CD1 PHE A 615 -6.209 -4.173 -9.064 1.00 0.00 C ATOM 1296 CD2 PHE A 615 -8.061 -3.683 -7.642 1.00 0.00 C ATOM 1297 CE1 PHE A 615 -7.021 -4.969 -9.850 1.00 0.00 C ATOM 1298 CE2 PHE A 615 -8.877 -4.477 -8.425 1.00 0.00 C ATOM 1299 CZ PHE A 615 -8.355 -5.122 -9.530 1.00 0.00 C ATOM 0 H PHE A 615 -4.952 -4.596 -5.309 1.00 0.00 H new ATOM 0 HA PHE A 615 -3.927 -3.359 -7.794 1.00 0.00 H new ATOM 0 HB2 PHE A 615 -6.328 -2.479 -6.144 1.00 0.00 H new ATOM 0 HB3 PHE A 615 -5.717 -1.685 -7.582 1.00 0.00 H new ATOM 0 HD1 PHE A 615 -5.166 -4.058 -9.319 1.00 0.00 H new ATOM 0 HD2 PHE A 615 -8.473 -3.183 -6.778 1.00 0.00 H new ATOM 0 HE1 PHE A 615 -6.612 -5.471 -10.714 1.00 0.00 H new ATOM 0 HE2 PHE A 615 -9.921 -4.593 -8.174 1.00 0.00 H new ATOM 0 HZ PHE A 615 -8.990 -5.745 -10.142 1.00 0.00 H new ATOM 1309 N VAL A 616 -2.660 -1.660 -6.518 1.00 0.00 N ATOM 1310 CA VAL A 616 -1.811 -0.746 -5.762 1.00 0.00 C ATOM 1311 C VAL A 616 -2.192 0.706 -6.029 1.00 0.00 C ATOM 1312 O VAL A 616 -2.395 1.104 -7.177 1.00 0.00 O ATOM 1313 CB VAL A 616 -0.323 -0.946 -6.105 1.00 0.00 C ATOM 1314 CG1 VAL A 616 0.549 -0.035 -5.256 1.00 0.00 C ATOM 1315 CG2 VAL A 616 0.074 -2.403 -5.920 1.00 0.00 C ATOM 0 H VAL A 616 -2.431 -1.725 -7.510 1.00 0.00 H new ATOM 0 HA VAL A 616 -1.966 -0.972 -4.707 1.00 0.00 H new ATOM 0 HB VAL A 616 -0.170 -0.681 -7.151 1.00 0.00 H new ATOM 0 HG11 VAL A 616 1.597 -0.191 -5.513 1.00 0.00 H new ATOM 0 HG12 VAL A 616 0.280 1.005 -5.444 1.00 0.00 H new ATOM 0 HG13 VAL A 616 0.396 -0.264 -4.201 1.00 0.00 H new ATOM 0 HG21 VAL A 616 1.128 -2.527 -6.167 1.00 0.00 H new ATOM 0 HG22 VAL A 616 -0.093 -2.697 -4.884 1.00 0.00 H new ATOM 0 HG23 VAL A 616 -0.528 -3.030 -6.577 1.00 0.00 H new ATOM 1325 N HIS A 617 -2.288 1.494 -4.963 1.00 0.00 N ATOM 1326 CA HIS A 617 -2.643 2.902 -5.083 1.00 0.00 C ATOM 1327 C HIS A 617 -1.627 3.783 -4.360 1.00 0.00 C ATOM 1328 O HIS A 617 -1.543 3.770 -3.132 1.00 0.00 O ATOM 1329 CB HIS A 617 -4.042 3.148 -4.516 1.00 0.00 C ATOM 1330 CG HIS A 617 -5.144 2.733 -5.442 1.00 0.00 C ATOM 1331 ND1 HIS A 617 -5.736 1.488 -5.397 1.00 0.00 N ATOM 1332 CD2 HIS A 617 -5.763 3.407 -6.439 1.00 0.00 C ATOM 1333 CE1 HIS A 617 -6.670 1.413 -6.328 1.00 0.00 C ATOM 1334 NE2 HIS A 617 -6.707 2.565 -6.975 1.00 0.00 N ATOM 0 H HIS A 617 -2.125 1.180 -4.006 1.00 0.00 H new ATOM 0 HA HIS A 617 -2.637 3.163 -6.141 1.00 0.00 H new ATOM 0 HB2 HIS A 617 -4.145 2.606 -3.576 1.00 0.00 H new ATOM 0 HB3 HIS A 617 -4.151 4.208 -4.286 1.00 0.00 H new ATOM 0 HD2 HIS A 617 -5.554 4.418 -6.755 1.00 0.00 H new ATOM 0 HE1 HIS A 617 -7.297 0.556 -6.527 1.00 0.00 H new ATOM 0 HE2 HIS A 617 -7.334 2.792 -7.747 1.00 0.00 H new ATOM 1342 N VAL A 618 -0.857 4.545 -5.130 1.00 0.00 N ATOM 1343 CA VAL A 618 0.152 5.431 -4.563 1.00 0.00 C ATOM 1344 C VAL A 618 -0.472 6.735 -4.078 1.00 0.00 C ATOM 1345 O VAL A 618 -0.963 7.535 -4.873 1.00 0.00 O ATOM 1346 CB VAL A 618 1.255 5.753 -5.589 1.00 0.00 C ATOM 1347 CG1 VAL A 618 2.121 6.904 -5.098 1.00 0.00 C ATOM 1348 CG2 VAL A 618 2.101 4.520 -5.866 1.00 0.00 C ATOM 0 H VAL A 618 -0.913 4.566 -6.148 1.00 0.00 H new ATOM 0 HA VAL A 618 0.595 4.907 -3.716 1.00 0.00 H new ATOM 0 HB VAL A 618 0.781 6.058 -6.522 1.00 0.00 H new ATOM 0 HG11 VAL A 618 2.895 7.118 -5.835 1.00 0.00 H new ATOM 0 HG12 VAL A 618 1.502 7.790 -4.955 1.00 0.00 H new ATOM 0 HG13 VAL A 618 2.587 6.630 -4.152 1.00 0.00 H new ATOM 0 HG21 VAL A 618 2.875 4.766 -6.593 1.00 0.00 H new ATOM 0 HG22 VAL A 618 2.567 4.183 -4.940 1.00 0.00 H new ATOM 0 HG23 VAL A 618 1.468 3.727 -6.264 1.00 0.00 H new ATOM 1358 N VAL A 619 -0.448 6.942 -2.764 1.00 0.00 N ATOM 1359 CA VAL A 619 -1.009 8.150 -2.171 1.00 0.00 C ATOM 1360 C VAL A 619 0.053 8.931 -1.405 1.00 0.00 C ATOM 1361 O VAL A 619 1.201 8.498 -1.297 1.00 0.00 O ATOM 1362 CB VAL A 619 -2.173 7.818 -1.218 1.00 0.00 C ATOM 1363 CG1 VAL A 619 -3.329 7.193 -1.984 1.00 0.00 C ATOM 1364 CG2 VAL A 619 -1.703 6.897 -0.103 1.00 0.00 C ATOM 0 H VAL A 619 -0.046 6.289 -2.091 1.00 0.00 H new ATOM 0 HA VAL A 619 -1.383 8.761 -2.992 1.00 0.00 H new ATOM 0 HB VAL A 619 -2.526 8.746 -0.768 1.00 0.00 H new ATOM 0 HG11 VAL A 619 -4.142 6.965 -1.294 1.00 0.00 H new ATOM 0 HG12 VAL A 619 -3.682 7.891 -2.743 1.00 0.00 H new ATOM 0 HG13 VAL A 619 -2.993 6.274 -2.464 1.00 0.00 H new ATOM 0 HG21 VAL A 619 -2.538 6.673 0.560 1.00 0.00 H new ATOM 0 HG22 VAL A 619 -1.322 5.970 -0.533 1.00 0.00 H new ATOM 0 HG23 VAL A 619 -0.911 7.386 0.464 1.00 0.00 H new ATOM 1374 N THR A 620 -0.338 10.084 -0.873 1.00 0.00 N ATOM 1375 CA THR A 620 0.580 10.928 -0.117 1.00 0.00 C ATOM 1376 C THR A 620 0.613 10.525 1.352 1.00 0.00 C ATOM 1377 O THR A 620 -0.406 10.133 1.922 1.00 0.00 O ATOM 1378 CB THR A 620 0.193 12.414 -0.222 1.00 0.00 C ATOM 1379 OG1 THR A 620 -1.185 12.588 0.127 1.00 0.00 O ATOM 1380 CG2 THR A 620 0.435 12.939 -1.629 1.00 0.00 C ATOM 0 H THR A 620 -1.285 10.456 -0.951 1.00 0.00 H new ATOM 0 HA THR A 620 1.570 10.787 -0.552 1.00 0.00 H new ATOM 0 HB THR A 620 0.817 12.978 0.471 1.00 0.00 H new ATOM 0 HG1 THR A 620 -1.422 13.536 0.059 1.00 0.00 H new ATOM 0 HG21 THR A 620 0.154 13.991 -1.678 1.00 0.00 H new ATOM 0 HG22 THR A 620 1.490 12.833 -1.880 1.00 0.00 H new ATOM 0 HG23 THR A 620 -0.166 12.370 -2.338 1.00 0.00 H new ATOM 1388 N LEU A 621 1.790 10.624 1.962 1.00 0.00 N ATOM 1389 CA LEU A 621 1.955 10.270 3.367 1.00 0.00 C ATOM 1390 C LEU A 621 0.727 10.672 4.178 1.00 0.00 C ATOM 1391 O LEU A 621 0.111 9.839 4.842 1.00 0.00 O ATOM 1392 CB LEU A 621 3.202 10.947 3.941 1.00 0.00 C ATOM 1393 CG LEU A 621 3.665 10.450 5.311 1.00 0.00 C ATOM 1394 CD1 LEU A 621 3.449 8.950 5.436 1.00 0.00 C ATOM 1395 CD2 LEU A 621 5.127 10.802 5.539 1.00 0.00 C ATOM 0 H LEU A 621 2.643 10.946 1.505 1.00 0.00 H new ATOM 0 HA LEU A 621 2.073 9.188 3.432 1.00 0.00 H new ATOM 0 HB2 LEU A 621 4.021 10.816 3.233 1.00 0.00 H new ATOM 0 HB3 LEU A 621 3.010 12.018 4.011 1.00 0.00 H new ATOM 0 HG LEU A 621 3.069 10.946 6.077 1.00 0.00 H new ATOM 0 HD11 LEU A 621 3.784 8.615 6.417 1.00 0.00 H new ATOM 0 HD12 LEU A 621 2.389 8.724 5.318 1.00 0.00 H new ATOM 0 HD13 LEU A 621 4.018 8.435 4.662 1.00 0.00 H new ATOM 0 HD21 LEU A 621 5.440 10.441 6.519 1.00 0.00 H new ATOM 0 HD22 LEU A 621 5.739 10.334 4.768 1.00 0.00 H new ATOM 0 HD23 LEU A 621 5.252 11.884 5.494 1.00 0.00 H new ATOM 1407 N GLU A 622 0.377 11.952 4.118 1.00 0.00 N ATOM 1408 CA GLU A 622 -0.779 12.463 4.845 1.00 0.00 C ATOM 1409 C GLU A 622 -1.991 11.557 4.647 1.00 0.00 C ATOM 1410 O GLU A 622 -2.544 11.023 5.608 1.00 0.00 O ATOM 1411 CB GLU A 622 -1.111 13.884 4.387 1.00 0.00 C ATOM 1412 CG GLU A 622 -0.110 14.926 4.857 1.00 0.00 C ATOM 1413 CD GLU A 622 -0.062 15.050 6.367 1.00 0.00 C ATOM 1414 OE1 GLU A 622 -1.116 14.866 7.012 1.00 0.00 O ATOM 1415 OE2 GLU A 622 1.029 15.330 6.905 1.00 0.00 O ATOM 0 H GLU A 622 0.877 12.655 3.573 1.00 0.00 H new ATOM 0 HA GLU A 622 -0.529 12.480 5.906 1.00 0.00 H new ATOM 0 HB2 GLU A 622 -1.159 13.904 3.298 1.00 0.00 H new ATOM 0 HB3 GLU A 622 -2.101 14.153 4.754 1.00 0.00 H new ATOM 0 HG2 GLU A 622 0.881 14.665 4.486 1.00 0.00 H new ATOM 0 HG3 GLU A 622 -0.368 15.893 4.425 1.00 0.00 H new ATOM 1422 N ASP A 623 -2.398 11.388 3.394 1.00 0.00 N ATOM 1423 CA ASP A 623 -3.543 10.546 3.068 1.00 0.00 C ATOM 1424 C ASP A 623 -3.396 9.163 3.693 1.00 0.00 C ATOM 1425 O ASP A 623 -4.342 8.625 4.266 1.00 0.00 O ATOM 1426 CB ASP A 623 -3.696 10.421 1.551 1.00 0.00 C ATOM 1427 CG ASP A 623 -4.373 11.631 0.936 1.00 0.00 C ATOM 1428 OD1 ASP A 623 -4.140 12.756 1.428 1.00 0.00 O ATOM 1429 OD2 ASP A 623 -5.135 11.453 -0.037 1.00 0.00 O ATOM 0 H ASP A 623 -1.952 11.823 2.587 1.00 0.00 H new ATOM 0 HA ASP A 623 -4.437 11.016 3.478 1.00 0.00 H new ATOM 0 HB2 ASP A 623 -2.713 10.289 1.099 1.00 0.00 H new ATOM 0 HB3 ASP A 623 -4.275 9.527 1.319 1.00 0.00 H new ATOM 1434 N MET A 624 -2.202 8.591 3.577 1.00 0.00 N ATOM 1435 CA MET A 624 -1.931 7.269 4.130 1.00 0.00 C ATOM 1436 C MET A 624 -2.219 7.237 5.627 1.00 0.00 C ATOM 1437 O MET A 624 -3.018 6.428 6.097 1.00 0.00 O ATOM 1438 CB MET A 624 -0.475 6.873 3.870 1.00 0.00 C ATOM 1439 CG MET A 624 -0.080 5.556 4.518 1.00 0.00 C ATOM 1440 SD MET A 624 0.331 5.738 6.265 1.00 0.00 S ATOM 1441 CE MET A 624 1.904 4.884 6.334 1.00 0.00 C ATOM 0 H MET A 624 -1.407 9.022 3.105 1.00 0.00 H new ATOM 0 HA MET A 624 -2.589 6.554 3.636 1.00 0.00 H new ATOM 0 HB2 MET A 624 -0.312 6.803 2.794 1.00 0.00 H new ATOM 0 HB3 MET A 624 0.180 7.662 4.241 1.00 0.00 H new ATOM 0 HG2 MET A 624 -0.899 4.844 4.413 1.00 0.00 H new ATOM 0 HG3 MET A 624 0.776 5.137 3.989 1.00 0.00 H new ATOM 0 HE1 MET A 624 2.020 4.413 7.310 1.00 0.00 H new ATOM 0 HE2 MET A 624 1.938 4.121 5.557 1.00 0.00 H new ATOM 0 HE3 MET A 624 2.713 5.598 6.177 1.00 0.00 H new ATOM 1451 N ARG A 625 -1.562 8.122 6.371 1.00 0.00 N ATOM 1452 CA ARG A 625 -1.747 8.194 7.815 1.00 0.00 C ATOM 1453 C ARG A 625 -3.231 8.191 8.173 1.00 0.00 C ATOM 1454 O ARG A 625 -3.649 7.523 9.119 1.00 0.00 O ATOM 1455 CB ARG A 625 -1.079 9.451 8.375 1.00 0.00 C ATOM 1456 CG ARG A 625 -0.777 9.369 9.862 1.00 0.00 C ATOM 1457 CD ARG A 625 0.170 10.475 10.300 1.00 0.00 C ATOM 1458 NE ARG A 625 -0.540 11.710 10.620 1.00 0.00 N ATOM 1459 CZ ARG A 625 -0.002 12.710 11.309 1.00 0.00 C ATOM 1460 NH1 ARG A 625 1.245 12.620 11.749 1.00 0.00 N ATOM 1461 NH2 ARG A 625 -0.711 13.803 11.560 1.00 0.00 N ATOM 0 H ARG A 625 -0.897 8.799 5.997 1.00 0.00 H new ATOM 0 HA ARG A 625 -1.281 7.315 8.260 1.00 0.00 H new ATOM 0 HB2 ARG A 625 -0.150 9.630 7.834 1.00 0.00 H new ATOM 0 HB3 ARG A 625 -1.726 10.309 8.191 1.00 0.00 H new ATOM 0 HG2 ARG A 625 -1.706 9.439 10.427 1.00 0.00 H new ATOM 0 HG3 ARG A 625 -0.336 8.399 10.092 1.00 0.00 H new ATOM 0 HD2 ARG A 625 0.734 10.145 11.172 1.00 0.00 H new ATOM 0 HD3 ARG A 625 0.893 10.668 9.507 1.00 0.00 H new ATOM 0 HE ARG A 625 -1.502 11.810 10.297 1.00 0.00 H new ATOM 0 HH11 ARG A 625 1.794 11.781 11.559 1.00 0.00 H new ATOM 0 HH12 ARG A 625 1.656 13.389 12.278 1.00 0.00 H new ATOM 0 HH21 ARG A 625 -1.671 13.876 11.224 1.00 0.00 H new ATOM 0 HH22 ARG A 625 -0.296 14.570 12.089 1.00 0.00 H new ATOM 1475 N GLU A 626 -4.020 8.944 7.413 1.00 0.00 N ATOM 1476 CA GLU A 626 -5.456 9.028 7.653 1.00 0.00 C ATOM 1477 C GLU A 626 -6.106 7.652 7.551 1.00 0.00 C ATOM 1478 O GLU A 626 -6.944 7.288 8.377 1.00 0.00 O ATOM 1479 CB GLU A 626 -6.106 9.986 6.653 1.00 0.00 C ATOM 1480 CG GLU A 626 -6.155 11.427 7.133 1.00 0.00 C ATOM 1481 CD GLU A 626 -4.861 12.174 6.872 1.00 0.00 C ATOM 1482 OE1 GLU A 626 -4.688 12.685 5.745 1.00 0.00 O ATOM 1483 OE2 GLU A 626 -4.022 12.246 7.794 1.00 0.00 O ATOM 0 H GLU A 626 -3.690 9.504 6.627 1.00 0.00 H new ATOM 0 HA GLU A 626 -5.608 9.409 8.663 1.00 0.00 H new ATOM 0 HB2 GLU A 626 -5.556 9.944 5.713 1.00 0.00 H new ATOM 0 HB3 GLU A 626 -7.121 9.647 6.445 1.00 0.00 H new ATOM 0 HG2 GLU A 626 -6.975 11.944 6.635 1.00 0.00 H new ATOM 0 HG3 GLU A 626 -6.370 11.443 8.201 1.00 0.00 H new ATOM 1490 N ILE A 627 -5.715 6.892 6.534 1.00 0.00 N ATOM 1491 CA ILE A 627 -6.259 5.556 6.326 1.00 0.00 C ATOM 1492 C ILE A 627 -5.908 4.632 7.486 1.00 0.00 C ATOM 1493 O ILE A 627 -6.790 4.129 8.181 1.00 0.00 O ATOM 1494 CB ILE A 627 -5.741 4.935 5.014 1.00 0.00 C ATOM 1495 CG1 ILE A 627 -6.179 5.780 3.817 1.00 0.00 C ATOM 1496 CG2 ILE A 627 -6.240 3.505 4.872 1.00 0.00 C ATOM 1497 CD1 ILE A 627 -5.491 5.399 2.524 1.00 0.00 C ATOM 0 H ILE A 627 -5.023 7.179 5.841 1.00 0.00 H new ATOM 0 HA ILE A 627 -7.342 5.663 6.265 1.00 0.00 H new ATOM 0 HB ILE A 627 -4.652 4.917 5.042 1.00 0.00 H new ATOM 0 HG12 ILE A 627 -7.257 5.682 3.688 1.00 0.00 H new ATOM 0 HG13 ILE A 627 -5.978 6.830 4.031 1.00 0.00 H new ATOM 0 HG21 ILE A 627 -5.866 3.080 3.941 1.00 0.00 H new ATOM 0 HG22 ILE A 627 -5.882 2.910 5.712 1.00 0.00 H new ATOM 0 HG23 ILE A 627 -7.330 3.499 4.861 1.00 0.00 H new ATOM 0 HD11 ILE A 627 -5.850 6.039 1.718 1.00 0.00 H new ATOM 0 HD12 ILE A 627 -4.414 5.524 2.634 1.00 0.00 H new ATOM 0 HD13 ILE A 627 -5.713 4.359 2.287 1.00 0.00 H new ATOM 1509 N GLU A 628 -4.613 4.414 7.691 1.00 0.00 N ATOM 1510 CA GLU A 628 -4.144 3.550 8.769 1.00 0.00 C ATOM 1511 C GLU A 628 -5.040 3.680 9.998 1.00 0.00 C ATOM 1512 O GLU A 628 -5.426 2.683 10.608 1.00 0.00 O ATOM 1513 CB GLU A 628 -2.701 3.896 9.139 1.00 0.00 C ATOM 1514 CG GLU A 628 -2.056 2.892 10.081 1.00 0.00 C ATOM 1515 CD GLU A 628 -0.817 3.441 10.760 1.00 0.00 C ATOM 1516 OE1 GLU A 628 -0.156 4.320 10.166 1.00 0.00 O ATOM 1517 OE2 GLU A 628 -0.506 2.994 11.882 1.00 0.00 O ATOM 0 H GLU A 628 -3.870 4.823 7.125 1.00 0.00 H new ATOM 0 HA GLU A 628 -4.184 2.519 8.417 1.00 0.00 H new ATOM 0 HB2 GLU A 628 -2.107 3.960 8.228 1.00 0.00 H new ATOM 0 HB3 GLU A 628 -2.680 4.882 9.603 1.00 0.00 H new ATOM 0 HG2 GLU A 628 -2.780 2.595 10.840 1.00 0.00 H new ATOM 0 HG3 GLU A 628 -1.792 1.994 9.523 1.00 0.00 H new ATOM 1524 N LYS A 629 -5.369 4.917 10.355 1.00 0.00 N ATOM 1525 CA LYS A 629 -6.219 5.180 11.510 1.00 0.00 C ATOM 1526 C LYS A 629 -7.682 4.899 11.183 1.00 0.00 C ATOM 1527 O LYS A 629 -8.340 4.114 11.865 1.00 0.00 O ATOM 1528 CB LYS A 629 -6.057 6.631 11.969 1.00 0.00 C ATOM 1529 CG LYS A 629 -4.615 7.032 12.222 1.00 0.00 C ATOM 1530 CD LYS A 629 -4.522 8.408 12.859 1.00 0.00 C ATOM 1531 CE LYS A 629 -4.858 9.508 11.864 1.00 0.00 C ATOM 1532 NZ LYS A 629 -4.810 10.857 12.491 1.00 0.00 N ATOM 0 H LYS A 629 -5.059 5.754 9.860 1.00 0.00 H new ATOM 0 HA LYS A 629 -5.911 4.514 12.316 1.00 0.00 H new ATOM 0 HB2 LYS A 629 -6.482 7.292 11.213 1.00 0.00 H new ATOM 0 HB3 LYS A 629 -6.632 6.780 12.883 1.00 0.00 H new ATOM 0 HG2 LYS A 629 -4.141 6.297 12.872 1.00 0.00 H new ATOM 0 HG3 LYS A 629 -4.065 7.028 11.281 1.00 0.00 H new ATOM 0 HD2 LYS A 629 -5.203 8.464 13.708 1.00 0.00 H new ATOM 0 HD3 LYS A 629 -3.515 8.563 13.248 1.00 0.00 H new ATOM 0 HE2 LYS A 629 -4.157 9.470 11.030 1.00 0.00 H new ATOM 0 HE3 LYS A 629 -5.852 9.334 11.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 629 -5.045 11.579 11.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 629 -5.497 10.902 13.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 629 -3.854 11.034 12.861 1.00 0.00 H new