USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=16 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 547 HIS : no HE2:sc= -2.26 K(o=-6.1,f=-4.6) USER MOD Set 1.2: A 587 GLN : amide:sc= -3.81! C(o=-6.1!,f=-12!) USER MOD Single : A 543 LYS NZ :NH3+ 159:sc= -2.22 (180deg=-3.19!) USER MOD Single : A 545 CYS SG : rot -15:sc= -1.5 USER MOD Single : A 549 THR OG1 : rot 180:sc= 0 USER MOD Single : A 550 ASN : amide:sc= -2.45 K(o=-2.5,f=-0.99) 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+ 176:sc= 0.00648 (180deg=0.00565) USER MOD Single : A 558 MET CE :methyl -174:sc= -0.0149 (180deg=-0.0928) USER MOD Single : A 562 GLN : amide:sc=-0.00193 X(o=-0.0019,f=-0.19) USER MOD Single : A 572 ASN : amide:sc= -0.424 K(o=-0.42,f=-2) USER MOD Single : A 575 HIS : no HE2:sc= -2.15 K(o=-2.1,f=-0.43) USER MOD Single : A 591 GLN : amide:sc= -0.0235 K(o=-0.024,f=-0.99) USER MOD Single : A 593 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0251) USER MOD Single : A 594 ASN : amide:sc= -0.736 K(o=-0.74,f=-2.2!) USER MOD Single : A 600 LYS NZ :NH3+ 151:sc= -0.378 (180deg=-1.59!) USER MOD Single : A 601 SER OG : rot -72:sc= 0.924 USER MOD Single : A 605 HIS : no HD1:sc= 0.199 K(o=0.2,f=-4.4!) USER MOD Single : A 607 LYS NZ :NH3+ -179:sc= -1.86 (180deg=-1.91) USER MOD Single : A 608 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 610 ASN : amide:sc= -6.24! C(o=-6.2!,f=-6!) USER MOD Single : A 617 HIS : no HD1:sc= -0.0286 X(o=-0.029,f=-0.17) USER MOD Single : A 620 THR OG1 : rot -68:sc= -0.374 USER MOD Single : A 624 MET CE :methyl -161:sc= -0.034 (180deg=-0.313) USER MOD Single : A 629 LYS NZ :NH3+ -161:sc= -0.0237 (180deg=-0.24) USER MOD ----------------------------------------------------------------- ATOM 141 N ALA A 542 4.877 14.836 -2.385 1.00 0.00 N ATOM 142 CA ALA A 542 5.526 13.673 -2.977 1.00 0.00 C ATOM 143 C ALA A 542 4.860 12.380 -2.516 1.00 0.00 C ATOM 144 O ALA A 542 4.759 12.114 -1.319 1.00 0.00 O ATOM 145 CB ALA A 542 7.007 13.659 -2.629 1.00 0.00 C ATOM 0 HA ALA A 542 5.420 13.741 -4.060 1.00 0.00 H new ATOM 0 HB1 ALA A 542 7.478 12.785 -3.078 1.00 0.00 H new ATOM 0 HB2 ALA A 542 7.480 14.563 -3.013 1.00 0.00 H new ATOM 0 HB3 ALA A 542 7.126 13.619 -1.546 1.00 0.00 H new ATOM 151 N LYS A 543 4.405 11.580 -3.475 1.00 0.00 N ATOM 152 CA LYS A 543 3.749 10.314 -3.169 1.00 0.00 C ATOM 153 C LYS A 543 4.759 9.283 -2.676 1.00 0.00 C ATOM 154 O LYS A 543 5.426 8.623 -3.473 1.00 0.00 O ATOM 155 CB LYS A 543 3.021 9.782 -4.405 1.00 0.00 C ATOM 156 CG LYS A 543 1.638 10.379 -4.601 1.00 0.00 C ATOM 157 CD LYS A 543 1.689 11.635 -5.454 1.00 0.00 C ATOM 158 CE LYS A 543 1.874 12.881 -4.599 1.00 0.00 C ATOM 159 NZ LYS A 543 0.569 13.468 -4.186 1.00 0.00 N ATOM 0 H LYS A 543 4.479 11.786 -4.471 1.00 0.00 H new ATOM 0 HA LYS A 543 3.023 10.492 -2.376 1.00 0.00 H new ATOM 0 HB2 LYS A 543 3.625 9.988 -5.289 1.00 0.00 H new ATOM 0 HB3 LYS A 543 2.932 8.699 -4.325 1.00 0.00 H new ATOM 0 HG2 LYS A 543 0.987 9.644 -5.073 1.00 0.00 H new ATOM 0 HG3 LYS A 543 1.201 10.615 -3.630 1.00 0.00 H new ATOM 0 HD2 LYS A 543 2.508 11.558 -6.169 1.00 0.00 H new ATOM 0 HD3 LYS A 543 0.769 11.722 -6.032 1.00 0.00 H new ATOM 0 HE2 LYS A 543 2.456 12.630 -3.712 1.00 0.00 H new ATOM 0 HE3 LYS A 543 2.446 13.623 -5.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 543 0.708 14.068 -3.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 543 0.185 14.042 -4.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 543 -0.099 12.704 -3.958 1.00 0.00 H new ATOM 173 N VAL A 544 4.865 9.148 -1.359 1.00 0.00 N ATOM 174 CA VAL A 544 5.792 8.195 -0.760 1.00 0.00 C ATOM 175 C VAL A 544 5.047 7.124 0.027 1.00 0.00 C ATOM 176 O VAL A 544 5.525 6.650 1.059 1.00 0.00 O ATOM 177 CB VAL A 544 6.795 8.899 0.174 1.00 0.00 C ATOM 178 CG1 VAL A 544 7.716 9.812 -0.622 1.00 0.00 C ATOM 179 CG2 VAL A 544 6.061 9.677 1.254 1.00 0.00 C ATOM 0 H VAL A 544 4.320 9.687 -0.685 1.00 0.00 H new ATOM 0 HA VAL A 544 6.337 7.726 -1.579 1.00 0.00 H new ATOM 0 HB VAL A 544 7.408 8.140 0.660 1.00 0.00 H new ATOM 0 HG11 VAL A 544 8.417 10.301 0.054 1.00 0.00 H new ATOM 0 HG12 VAL A 544 8.268 9.223 -1.354 1.00 0.00 H new ATOM 0 HG13 VAL A 544 7.123 10.567 -1.137 1.00 0.00 H new ATOM 0 HG21 VAL A 544 6.785 10.168 1.905 1.00 0.00 H new ATOM 0 HG22 VAL A 544 5.422 10.428 0.790 1.00 0.00 H new ATOM 0 HG23 VAL A 544 5.449 8.993 1.843 1.00 0.00 H new ATOM 189 N CYS A 545 3.872 6.745 -0.465 1.00 0.00 N ATOM 190 CA CYS A 545 3.059 5.729 0.193 1.00 0.00 C ATOM 191 C CYS A 545 2.238 4.945 -0.827 1.00 0.00 C ATOM 192 O CYS A 545 1.684 5.519 -1.764 1.00 0.00 O ATOM 193 CB CYS A 545 2.133 6.375 1.223 1.00 0.00 C ATOM 194 SG CYS A 545 2.987 7.397 2.446 1.00 0.00 S ATOM 0 H CYS A 545 3.462 7.126 -1.317 1.00 0.00 H new ATOM 0 HA CYS A 545 3.729 5.037 0.702 1.00 0.00 H new ATOM 0 HB2 CYS A 545 1.399 6.989 0.701 1.00 0.00 H new ATOM 0 HB3 CYS A 545 1.581 5.591 1.742 1.00 0.00 H new ATOM 0 HG CYS A 545 4.262 7.144 2.409 1.00 0.00 H new ATOM 200 N ALA A 546 2.168 3.631 -0.639 1.00 0.00 N ATOM 201 CA ALA A 546 1.414 2.770 -1.542 1.00 0.00 C ATOM 202 C ALA A 546 0.486 1.841 -0.766 1.00 0.00 C ATOM 203 O ALA A 546 0.935 1.043 0.058 1.00 0.00 O ATOM 204 CB ALA A 546 2.364 1.962 -2.414 1.00 0.00 C ATOM 0 H ALA A 546 2.624 3.140 0.130 1.00 0.00 H new ATOM 0 HA ALA A 546 0.800 3.403 -2.182 1.00 0.00 H new ATOM 0 HB1 ALA A 546 1.789 1.323 -3.084 1.00 0.00 H new ATOM 0 HB2 ALA A 546 2.983 2.639 -3.002 1.00 0.00 H new ATOM 0 HB3 ALA A 546 3.001 1.344 -1.782 1.00 0.00 H new ATOM 210 N HIS A 547 -0.812 1.950 -1.035 1.00 0.00 N ATOM 211 CA HIS A 547 -1.804 1.120 -0.363 1.00 0.00 C ATOM 212 C HIS A 547 -2.145 -0.107 -1.202 1.00 0.00 C ATOM 213 O HIS A 547 -2.401 0.002 -2.401 1.00 0.00 O ATOM 214 CB HIS A 547 -3.071 1.929 -0.081 1.00 0.00 C ATOM 215 CG HIS A 547 -4.128 1.154 0.644 1.00 0.00 C ATOM 216 ND1 HIS A 547 -5.477 1.352 0.444 1.00 0.00 N ATOM 217 CD2 HIS A 547 -4.027 0.174 1.573 1.00 0.00 C ATOM 218 CE1 HIS A 547 -6.161 0.529 1.219 1.00 0.00 C ATOM 219 NE2 HIS A 547 -5.304 -0.198 1.913 1.00 0.00 N ATOM 0 H HIS A 547 -1.200 2.605 -1.714 1.00 0.00 H new ATOM 0 HA HIS A 547 -1.379 0.784 0.583 1.00 0.00 H new ATOM 0 HB2 HIS A 547 -2.808 2.807 0.508 1.00 0.00 H new ATOM 0 HB3 HIS A 547 -3.480 2.289 -1.025 1.00 0.00 H new ATOM 0 HD1 HIS A 547 -5.884 2.029 -0.202 1.00 0.00 H new ATOM 0 HD2 HIS A 547 -3.112 -0.238 1.972 1.00 0.00 H new ATOM 0 HE1 HIS A 547 -7.237 0.462 1.275 1.00 0.00 H new ATOM 227 N ILE A 548 -2.145 -1.273 -0.564 1.00 0.00 N ATOM 228 CA ILE A 548 -2.455 -2.519 -1.254 1.00 0.00 C ATOM 229 C ILE A 548 -3.808 -3.070 -0.812 1.00 0.00 C ATOM 230 O ILE A 548 -4.044 -3.288 0.376 1.00 0.00 O ATOM 231 CB ILE A 548 -1.373 -3.586 -1.001 1.00 0.00 C ATOM 232 CG1 ILE A 548 -0.002 -3.064 -1.436 1.00 0.00 C ATOM 233 CG2 ILE A 548 -1.715 -4.871 -1.740 1.00 0.00 C ATOM 234 CD1 ILE A 548 1.153 -3.883 -0.903 1.00 0.00 C ATOM 0 H ILE A 548 -1.934 -1.381 0.428 1.00 0.00 H new ATOM 0 HA ILE A 548 -2.488 -2.291 -2.319 1.00 0.00 H new ATOM 0 HB ILE A 548 -1.337 -3.802 0.067 1.00 0.00 H new ATOM 0 HG12 ILE A 548 0.044 -3.051 -2.525 1.00 0.00 H new ATOM 0 HG13 ILE A 548 0.109 -2.033 -1.100 1.00 0.00 H new ATOM 0 HG21 ILE A 548 -0.942 -5.616 -1.552 1.00 0.00 H new ATOM 0 HG22 ILE A 548 -2.675 -5.248 -1.388 1.00 0.00 H new ATOM 0 HG23 ILE A 548 -1.773 -4.671 -2.810 1.00 0.00 H new ATOM 0 HD11 ILE A 548 2.093 -3.456 -1.251 1.00 0.00 H new ATOM 0 HD12 ILE A 548 1.132 -3.875 0.187 1.00 0.00 H new ATOM 0 HD13 ILE A 548 1.067 -4.909 -1.260 1.00 0.00 H new ATOM 246 N THR A 549 -4.693 -3.294 -1.778 1.00 0.00 N ATOM 247 CA THR A 549 -6.021 -3.820 -1.491 1.00 0.00 C ATOM 248 C THR A 549 -6.311 -5.065 -2.321 1.00 0.00 C ATOM 249 O THR A 549 -5.565 -5.397 -3.241 1.00 0.00 O ATOM 250 CB THR A 549 -7.113 -2.768 -1.766 1.00 0.00 C ATOM 251 OG1 THR A 549 -7.037 -2.325 -3.126 1.00 0.00 O ATOM 252 CG2 THR A 549 -6.965 -1.578 -0.830 1.00 0.00 C ATOM 0 H THR A 549 -4.514 -3.119 -2.767 1.00 0.00 H new ATOM 0 HA THR A 549 -6.036 -4.081 -0.433 1.00 0.00 H new ATOM 0 HB THR A 549 -8.084 -3.230 -1.590 1.00 0.00 H new ATOM 0 HG1 THR A 549 -7.736 -1.658 -3.292 1.00 0.00 H new ATOM 0 HG21 THR A 549 -7.746 -0.848 -1.043 1.00 0.00 H new ATOM 0 HG22 THR A 549 -7.054 -1.914 0.203 1.00 0.00 H new ATOM 0 HG23 THR A 549 -5.988 -1.117 -0.979 1.00 0.00 H new ATOM 260 N ASN A 550 -7.401 -5.750 -1.991 1.00 0.00 N ATOM 261 CA ASN A 550 -7.789 -6.960 -2.706 1.00 0.00 C ATOM 262 C ASN A 550 -6.834 -8.108 -2.394 1.00 0.00 C ATOM 263 O ASN A 550 -6.584 -8.968 -3.239 1.00 0.00 O ATOM 264 CB ASN A 550 -7.815 -6.699 -4.214 1.00 0.00 C ATOM 265 CG ASN A 550 -8.687 -7.693 -4.958 1.00 0.00 C ATOM 266 OD1 ASN A 550 -8.497 -8.904 -4.850 1.00 0.00 O ATOM 267 ND2 ASN A 550 -9.649 -7.183 -5.718 1.00 0.00 N ATOM 0 H ASN A 550 -8.031 -5.488 -1.233 1.00 0.00 H new ATOM 0 HA ASN A 550 -8.788 -7.243 -2.375 1.00 0.00 H new ATOM 0 HB2 ASN A 550 -8.181 -5.689 -4.399 1.00 0.00 H new ATOM 0 HB3 ASN A 550 -6.799 -6.747 -4.606 1.00 0.00 H new ATOM 0 HD21 ASN A 550 -10.267 -7.802 -6.242 1.00 0.00 H new ATOM 0 HD22 ASN A 550 -9.770 -6.172 -5.778 1.00 0.00 H new ATOM 274 N ILE A 551 -6.305 -8.114 -1.175 1.00 0.00 N ATOM 275 CA ILE A 551 -5.378 -9.156 -0.751 1.00 0.00 C ATOM 276 C ILE A 551 -6.038 -10.104 0.245 1.00 0.00 C ATOM 277 O ILE A 551 -6.960 -9.737 0.974 1.00 0.00 O ATOM 278 CB ILE A 551 -4.112 -8.558 -0.112 1.00 0.00 C ATOM 279 CG1 ILE A 551 -4.484 -7.674 1.081 1.00 0.00 C ATOM 280 CG2 ILE A 551 -3.324 -7.762 -1.142 1.00 0.00 C ATOM 281 CD1 ILE A 551 -3.302 -7.297 1.945 1.00 0.00 C ATOM 0 H ILE A 551 -6.502 -7.410 -0.464 1.00 0.00 H new ATOM 0 HA ILE A 551 -5.095 -9.711 -1.646 1.00 0.00 H new ATOM 0 HB ILE A 551 -3.484 -9.374 0.246 1.00 0.00 H new ATOM 0 HG12 ILE A 551 -4.961 -6.765 0.715 1.00 0.00 H new ATOM 0 HG13 ILE A 551 -5.220 -8.195 1.693 1.00 0.00 H new ATOM 0 HG21 ILE A 551 -2.432 -7.345 -0.675 1.00 0.00 H new ATOM 0 HG22 ILE A 551 -3.032 -8.417 -1.962 1.00 0.00 H new ATOM 0 HG23 ILE A 551 -3.943 -6.952 -1.528 1.00 0.00 H new ATOM 0 HD11 ILE A 551 -3.640 -6.671 2.771 1.00 0.00 H new ATOM 0 HD12 ILE A 551 -2.838 -8.200 2.341 1.00 0.00 H new ATOM 0 HD13 ILE A 551 -2.575 -6.748 1.347 1.00 0.00 H new ATOM 293 N PRO A 552 -5.554 -11.355 0.281 1.00 0.00 N ATOM 294 CA PRO A 552 -6.080 -12.382 1.186 1.00 0.00 C ATOM 295 C PRO A 552 -5.624 -12.173 2.626 1.00 0.00 C ATOM 296 O PRO A 552 -4.451 -11.904 2.884 1.00 0.00 O ATOM 297 CB PRO A 552 -5.497 -13.681 0.624 1.00 0.00 C ATOM 298 CG PRO A 552 -4.234 -13.270 -0.052 1.00 0.00 C ATOM 299 CD PRO A 552 -4.456 -11.863 -0.559 1.00 0.00 C ATOM 0 HA PRO A 552 -7.169 -12.370 1.228 1.00 0.00 H new ATOM 0 HB2 PRO A 552 -5.304 -14.404 1.417 1.00 0.00 H new ATOM 0 HB3 PRO A 552 -6.185 -14.153 -0.077 1.00 0.00 H new ATOM 0 HG2 PRO A 552 -3.394 -13.304 0.642 1.00 0.00 H new ATOM 0 HG3 PRO A 552 -3.996 -13.945 -0.874 1.00 0.00 H new ATOM 0 HD2 PRO A 552 -3.558 -11.254 -0.455 1.00 0.00 H new ATOM 0 HD3 PRO A 552 -4.725 -11.856 -1.615 1.00 0.00 H new ATOM 307 N PHE A 553 -6.559 -12.299 3.562 1.00 0.00 N ATOM 308 CA PHE A 553 -6.254 -12.123 4.977 1.00 0.00 C ATOM 309 C PHE A 553 -5.548 -13.355 5.537 1.00 0.00 C ATOM 310 O PHE A 553 -5.326 -13.461 6.743 1.00 0.00 O ATOM 311 CB PHE A 553 -7.536 -11.852 5.767 1.00 0.00 C ATOM 312 CG PHE A 553 -8.668 -12.772 5.408 1.00 0.00 C ATOM 313 CD1 PHE A 553 -8.832 -13.980 6.066 1.00 0.00 C ATOM 314 CD2 PHE A 553 -9.567 -12.428 4.411 1.00 0.00 C ATOM 315 CE1 PHE A 553 -9.873 -14.828 5.738 1.00 0.00 C ATOM 316 CE2 PHE A 553 -10.610 -13.273 4.079 1.00 0.00 C ATOM 317 CZ PHE A 553 -10.762 -14.474 4.743 1.00 0.00 C ATOM 0 H PHE A 553 -7.535 -12.522 3.366 1.00 0.00 H new ATOM 0 HA PHE A 553 -5.587 -11.267 5.076 1.00 0.00 H new ATOM 0 HB2 PHE A 553 -7.324 -11.948 6.832 1.00 0.00 H new ATOM 0 HB3 PHE A 553 -7.848 -10.822 5.596 1.00 0.00 H new ATOM 0 HD1 PHE A 553 -8.138 -14.262 6.844 1.00 0.00 H new ATOM 0 HD2 PHE A 553 -9.452 -11.490 3.888 1.00 0.00 H new ATOM 0 HE1 PHE A 553 -9.991 -15.766 6.259 1.00 0.00 H new ATOM 0 HE2 PHE A 553 -11.305 -12.994 3.301 1.00 0.00 H new ATOM 0 HZ PHE A 553 -11.575 -15.136 4.484 1.00 0.00 H new ATOM 327 N SER A 554 -5.200 -14.284 4.653 1.00 0.00 N ATOM 328 CA SER A 554 -4.523 -15.510 5.058 1.00 0.00 C ATOM 329 C SER A 554 -3.018 -15.289 5.171 1.00 0.00 C ATOM 330 O SER A 554 -2.335 -15.969 5.937 1.00 0.00 O ATOM 331 CB SER A 554 -4.812 -16.632 4.059 1.00 0.00 C ATOM 332 OG SER A 554 -4.151 -16.400 2.828 1.00 0.00 O ATOM 0 H SER A 554 -5.376 -14.211 3.651 1.00 0.00 H new ATOM 0 HA SER A 554 -4.904 -15.799 6.038 1.00 0.00 H new ATOM 0 HB2 SER A 554 -4.489 -17.586 4.475 1.00 0.00 H new ATOM 0 HB3 SER A 554 -5.886 -16.706 3.890 1.00 0.00 H new ATOM 0 HG SER A 554 -4.350 -17.132 2.207 1.00 0.00 H new ATOM 338 N ILE A 555 -2.508 -14.334 4.401 1.00 0.00 N ATOM 339 CA ILE A 555 -1.084 -14.022 4.413 1.00 0.00 C ATOM 340 C ILE A 555 -0.754 -13.005 5.501 1.00 0.00 C ATOM 341 O ILE A 555 -1.649 -12.422 6.114 1.00 0.00 O ATOM 342 CB ILE A 555 -0.615 -13.471 3.053 1.00 0.00 C ATOM 343 CG1 ILE A 555 -1.225 -12.091 2.800 1.00 0.00 C ATOM 344 CG2 ILE A 555 -0.990 -14.434 1.936 1.00 0.00 C ATOM 345 CD1 ILE A 555 -0.535 -11.321 1.695 1.00 0.00 C ATOM 0 H ILE A 555 -3.060 -13.763 3.761 1.00 0.00 H new ATOM 0 HA ILE A 555 -0.559 -14.955 4.618 1.00 0.00 H new ATOM 0 HB ILE A 555 0.470 -13.370 3.072 1.00 0.00 H new ATOM 0 HG12 ILE A 555 -2.279 -12.209 2.547 1.00 0.00 H new ATOM 0 HG13 ILE A 555 -1.181 -11.509 3.720 1.00 0.00 H new ATOM 0 HG21 ILE A 555 -0.653 -14.032 0.981 1.00 0.00 H new ATOM 0 HG22 ILE A 555 -0.514 -15.399 2.112 1.00 0.00 H new ATOM 0 HG23 ILE A 555 -2.072 -14.562 1.914 1.00 0.00 H new ATOM 0 HD11 ILE A 555 -1.019 -10.352 1.570 1.00 0.00 H new ATOM 0 HD12 ILE A 555 0.513 -11.172 1.955 1.00 0.00 H new ATOM 0 HD13 ILE A 555 -0.601 -11.883 0.764 1.00 0.00 H new ATOM 357 N THR A 556 0.538 -12.794 5.734 1.00 0.00 N ATOM 358 CA THR A 556 0.987 -11.847 6.747 1.00 0.00 C ATOM 359 C THR A 556 1.993 -10.860 6.168 1.00 0.00 C ATOM 360 O THR A 556 2.523 -11.065 5.076 1.00 0.00 O ATOM 361 CB THR A 556 1.626 -12.570 7.948 1.00 0.00 C ATOM 362 OG1 THR A 556 2.585 -13.528 7.489 1.00 0.00 O ATOM 363 CG2 THR A 556 0.566 -13.267 8.787 1.00 0.00 C ATOM 0 H THR A 556 1.292 -13.266 5.235 1.00 0.00 H new ATOM 0 HA THR A 556 0.105 -11.305 7.087 1.00 0.00 H new ATOM 0 HB THR A 556 2.125 -11.826 8.568 1.00 0.00 H new ATOM 0 HG1 THR A 556 2.988 -13.982 8.258 1.00 0.00 H new ATOM 0 HG21 THR A 556 1.041 -13.770 9.629 1.00 0.00 H new ATOM 0 HG22 THR A 556 -0.146 -12.530 9.159 1.00 0.00 H new ATOM 0 HG23 THR A 556 0.042 -14.001 8.175 1.00 0.00 H new ATOM 371 N LYS A 557 2.255 -9.787 6.908 1.00 0.00 N ATOM 372 CA LYS A 557 3.200 -8.767 6.469 1.00 0.00 C ATOM 373 C LYS A 557 4.399 -9.401 5.771 1.00 0.00 C ATOM 374 O LYS A 557 4.786 -8.982 4.680 1.00 0.00 O ATOM 375 CB LYS A 557 3.674 -7.933 7.663 1.00 0.00 C ATOM 376 CG LYS A 557 4.612 -6.802 7.281 1.00 0.00 C ATOM 377 CD LYS A 557 5.567 -6.464 8.413 1.00 0.00 C ATOM 378 CE LYS A 557 4.930 -5.512 9.414 1.00 0.00 C ATOM 379 NZ LYS A 557 5.937 -4.930 10.344 1.00 0.00 N ATOM 0 H LYS A 557 1.826 -9.602 7.815 1.00 0.00 H new ATOM 0 HA LYS A 557 2.690 -8.116 5.759 1.00 0.00 H new ATOM 0 HB2 LYS A 557 2.805 -7.517 8.172 1.00 0.00 H new ATOM 0 HB3 LYS A 557 4.178 -8.587 8.375 1.00 0.00 H new ATOM 0 HG2 LYS A 557 5.181 -7.084 6.395 1.00 0.00 H new ATOM 0 HG3 LYS A 557 4.030 -5.918 7.018 1.00 0.00 H new ATOM 0 HD2 LYS A 557 5.869 -7.380 8.921 1.00 0.00 H new ATOM 0 HD3 LYS A 557 6.471 -6.013 8.005 1.00 0.00 H new ATOM 0 HE2 LYS A 557 4.423 -4.709 8.879 1.00 0.00 H new ATOM 0 HE3 LYS A 557 4.170 -6.043 9.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 557 5.475 -4.236 10.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 557 6.355 -5.687 10.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 557 6.685 -4.459 9.796 1.00 0.00 H new ATOM 393 N MET A 558 4.981 -10.412 6.406 1.00 0.00 N ATOM 394 CA MET A 558 6.134 -11.105 5.842 1.00 0.00 C ATOM 395 C MET A 558 5.888 -11.475 4.384 1.00 0.00 C ATOM 396 O MET A 558 6.770 -11.327 3.539 1.00 0.00 O ATOM 397 CB MET A 558 6.447 -12.364 6.655 1.00 0.00 C ATOM 398 CG MET A 558 7.166 -12.081 7.963 1.00 0.00 C ATOM 399 SD MET A 558 8.914 -11.704 7.728 1.00 0.00 S ATOM 400 CE MET A 558 9.333 -11.024 9.331 1.00 0.00 C ATOM 0 H MET A 558 4.674 -10.770 7.311 1.00 0.00 H new ATOM 0 HA MET A 558 6.989 -10.430 5.886 1.00 0.00 H new ATOM 0 HB2 MET A 558 5.516 -12.889 6.868 1.00 0.00 H new ATOM 0 HB3 MET A 558 7.060 -13.033 6.051 1.00 0.00 H new ATOM 0 HG2 MET A 558 6.682 -11.243 8.465 1.00 0.00 H new ATOM 0 HG3 MET A 558 7.070 -12.945 8.620 1.00 0.00 H new ATOM 0 HE1 MET A 558 10.355 -10.645 9.310 1.00 0.00 H new ATOM 0 HE2 MET A 558 8.649 -10.210 9.571 1.00 0.00 H new ATOM 0 HE3 MET A 558 9.251 -11.803 10.089 1.00 0.00 H new ATOM 410 N ASP A 559 4.684 -11.956 4.096 1.00 0.00 N ATOM 411 CA ASP A 559 4.321 -12.346 2.738 1.00 0.00 C ATOM 412 C ASP A 559 4.346 -11.142 1.801 1.00 0.00 C ATOM 413 O ASP A 559 4.893 -11.210 0.700 1.00 0.00 O ATOM 414 CB ASP A 559 2.934 -12.991 2.724 1.00 0.00 C ATOM 415 CG ASP A 559 2.944 -14.399 3.286 1.00 0.00 C ATOM 416 OD1 ASP A 559 3.223 -14.553 4.494 1.00 0.00 O ATOM 417 OD2 ASP A 559 2.672 -15.346 2.519 1.00 0.00 O ATOM 0 H ASP A 559 3.943 -12.085 4.784 1.00 0.00 H new ATOM 0 HA ASP A 559 5.054 -13.072 2.386 1.00 0.00 H new ATOM 0 HB2 ASP A 559 2.245 -12.377 3.304 1.00 0.00 H new ATOM 0 HB3 ASP A 559 2.558 -13.014 1.701 1.00 0.00 H new ATOM 422 N VAL A 560 3.749 -10.040 2.246 1.00 0.00 N ATOM 423 CA VAL A 560 3.703 -8.821 1.448 1.00 0.00 C ATOM 424 C VAL A 560 5.107 -8.336 1.104 1.00 0.00 C ATOM 425 O VAL A 560 5.430 -8.112 -0.063 1.00 0.00 O ATOM 426 CB VAL A 560 2.949 -7.698 2.183 1.00 0.00 C ATOM 427 CG1 VAL A 560 3.018 -6.400 1.392 1.00 0.00 C ATOM 428 CG2 VAL A 560 1.503 -8.102 2.435 1.00 0.00 C ATOM 0 H VAL A 560 3.291 -9.967 3.154 1.00 0.00 H new ATOM 0 HA VAL A 560 3.171 -9.064 0.528 1.00 0.00 H new ATOM 0 HB VAL A 560 3.430 -7.534 3.147 1.00 0.00 H new ATOM 0 HG11 VAL A 560 2.479 -5.618 1.928 1.00 0.00 H new ATOM 0 HG12 VAL A 560 4.060 -6.104 1.269 1.00 0.00 H new ATOM 0 HG13 VAL A 560 2.564 -6.547 0.412 1.00 0.00 H new ATOM 0 HG21 VAL A 560 0.985 -7.296 2.955 1.00 0.00 H new ATOM 0 HG22 VAL A 560 1.008 -8.296 1.483 1.00 0.00 H new ATOM 0 HG23 VAL A 560 1.479 -9.004 3.047 1.00 0.00 H new ATOM 438 N LEU A 561 5.938 -8.175 2.128 1.00 0.00 N ATOM 439 CA LEU A 561 7.309 -7.716 1.934 1.00 0.00 C ATOM 440 C LEU A 561 7.967 -8.443 0.765 1.00 0.00 C ATOM 441 O LEU A 561 8.817 -7.882 0.074 1.00 0.00 O ATOM 442 CB LEU A 561 8.126 -7.934 3.210 1.00 0.00 C ATOM 443 CG LEU A 561 7.608 -7.232 4.465 1.00 0.00 C ATOM 444 CD1 LEU A 561 8.540 -7.485 5.641 1.00 0.00 C ATOM 445 CD2 LEU A 561 7.454 -5.738 4.216 1.00 0.00 C ATOM 0 H LEU A 561 5.687 -8.355 3.100 1.00 0.00 H new ATOM 0 HA LEU A 561 7.280 -6.651 1.705 1.00 0.00 H new ATOM 0 HB2 LEU A 561 8.172 -9.005 3.410 1.00 0.00 H new ATOM 0 HB3 LEU A 561 9.147 -7.599 3.026 1.00 0.00 H new ATOM 0 HG LEU A 561 6.628 -7.642 4.709 1.00 0.00 H new ATOM 0 HD11 LEU A 561 8.155 -6.978 6.526 1.00 0.00 H new ATOM 0 HD12 LEU A 561 8.600 -8.556 5.834 1.00 0.00 H new ATOM 0 HD13 LEU A 561 9.534 -7.103 5.407 1.00 0.00 H new ATOM 0 HD21 LEU A 561 7.084 -5.255 5.120 1.00 0.00 H new ATOM 0 HD22 LEU A 561 8.421 -5.313 3.946 1.00 0.00 H new ATOM 0 HD23 LEU A 561 6.747 -5.576 3.403 1.00 0.00 H new ATOM 457 N GLN A 562 7.566 -9.692 0.551 1.00 0.00 N ATOM 458 CA GLN A 562 8.116 -10.493 -0.535 1.00 0.00 C ATOM 459 C GLN A 562 7.458 -10.136 -1.863 1.00 0.00 C ATOM 460 O GLN A 562 8.124 -10.050 -2.895 1.00 0.00 O ATOM 461 CB GLN A 562 7.927 -11.983 -0.243 1.00 0.00 C ATOM 462 CG GLN A 562 8.735 -12.890 -1.159 1.00 0.00 C ATOM 463 CD GLN A 562 8.850 -14.305 -0.625 1.00 0.00 C ATOM 464 OE1 GLN A 562 9.216 -14.516 0.531 1.00 0.00 O ATOM 465 NE2 GLN A 562 8.539 -15.282 -1.468 1.00 0.00 N ATOM 0 H GLN A 562 6.863 -10.170 1.115 1.00 0.00 H new ATOM 0 HA GLN A 562 9.182 -10.276 -0.609 1.00 0.00 H new ATOM 0 HB2 GLN A 562 8.209 -12.181 0.791 1.00 0.00 H new ATOM 0 HB3 GLN A 562 6.870 -12.232 -0.339 1.00 0.00 H new ATOM 0 HG2 GLN A 562 8.269 -12.914 -2.144 1.00 0.00 H new ATOM 0 HG3 GLN A 562 9.733 -12.472 -1.289 1.00 0.00 H new ATOM 0 HE21 GLN A 562 8.240 -15.060 -2.418 1.00 0.00 H new ATOM 0 HE22 GLN A 562 8.599 -16.254 -1.166 1.00 0.00 H new ATOM 474 N PHE A 563 6.145 -9.930 -1.831 1.00 0.00 N ATOM 475 CA PHE A 563 5.395 -9.584 -3.033 1.00 0.00 C ATOM 476 C PHE A 563 5.990 -8.350 -3.707 1.00 0.00 C ATOM 477 O PHE A 563 5.864 -8.170 -4.919 1.00 0.00 O ATOM 478 CB PHE A 563 3.927 -9.332 -2.688 1.00 0.00 C ATOM 479 CG PHE A 563 3.174 -8.603 -3.765 1.00 0.00 C ATOM 480 CD1 PHE A 563 2.824 -9.248 -4.940 1.00 0.00 C ATOM 481 CD2 PHE A 563 2.817 -7.275 -3.602 1.00 0.00 C ATOM 482 CE1 PHE A 563 2.132 -8.581 -5.934 1.00 0.00 C ATOM 483 CE2 PHE A 563 2.125 -6.603 -4.591 1.00 0.00 C ATOM 484 CZ PHE A 563 1.782 -7.257 -5.759 1.00 0.00 C ATOM 0 H PHE A 563 5.578 -9.997 -0.985 1.00 0.00 H new ATOM 0 HA PHE A 563 5.459 -10.423 -3.726 1.00 0.00 H new ATOM 0 HB2 PHE A 563 3.438 -10.287 -2.497 1.00 0.00 H new ATOM 0 HB3 PHE A 563 3.873 -8.756 -1.764 1.00 0.00 H new ATOM 0 HD1 PHE A 563 3.095 -10.284 -5.081 1.00 0.00 H new ATOM 0 HD2 PHE A 563 3.083 -6.759 -2.691 1.00 0.00 H new ATOM 0 HE1 PHE A 563 1.866 -9.095 -6.846 1.00 0.00 H new ATOM 0 HE2 PHE A 563 1.852 -5.567 -4.451 1.00 0.00 H new ATOM 0 HZ PHE A 563 1.241 -6.733 -6.533 1.00 0.00 H new ATOM 494 N LEU A 564 6.637 -7.503 -2.914 1.00 0.00 N ATOM 495 CA LEU A 564 7.251 -6.286 -3.433 1.00 0.00 C ATOM 496 C LEU A 564 8.728 -6.510 -3.743 1.00 0.00 C ATOM 497 O LEU A 564 9.519 -5.568 -3.751 1.00 0.00 O ATOM 498 CB LEU A 564 7.097 -5.145 -2.425 1.00 0.00 C ATOM 499 CG LEU A 564 5.675 -4.623 -2.214 1.00 0.00 C ATOM 500 CD1 LEU A 564 5.642 -3.608 -1.083 1.00 0.00 C ATOM 501 CD2 LEU A 564 5.136 -4.010 -3.499 1.00 0.00 C ATOM 0 H LEU A 564 6.750 -7.637 -1.909 1.00 0.00 H new ATOM 0 HA LEU A 564 6.742 -6.017 -4.358 1.00 0.00 H new ATOM 0 HB2 LEU A 564 7.486 -5.481 -1.464 1.00 0.00 H new ATOM 0 HB3 LEU A 564 7.723 -4.314 -2.749 1.00 0.00 H new ATOM 0 HG LEU A 564 5.037 -5.463 -1.940 1.00 0.00 H new ATOM 0 HD11 LEU A 564 4.622 -3.248 -0.947 1.00 0.00 H new ATOM 0 HD12 LEU A 564 5.986 -4.078 -0.162 1.00 0.00 H new ATOM 0 HD13 LEU A 564 6.294 -2.769 -1.328 1.00 0.00 H new ATOM 0 HD21 LEU A 564 4.123 -3.644 -3.331 1.00 0.00 H new ATOM 0 HD22 LEU A 564 5.776 -3.181 -3.803 1.00 0.00 H new ATOM 0 HD23 LEU A 564 5.123 -4.765 -4.285 1.00 0.00 H new ATOM 513 N GLU A 565 9.089 -7.764 -4.000 1.00 0.00 N ATOM 514 CA GLU A 565 10.471 -8.111 -4.312 1.00 0.00 C ATOM 515 C GLU A 565 11.092 -7.078 -5.250 1.00 0.00 C ATOM 516 O GLU A 565 10.485 -6.683 -6.244 1.00 0.00 O ATOM 517 CB GLU A 565 10.540 -9.500 -4.949 1.00 0.00 C ATOM 518 CG GLU A 565 11.932 -10.107 -4.934 1.00 0.00 C ATOM 519 CD GLU A 565 12.501 -10.231 -3.534 1.00 0.00 C ATOM 520 OE1 GLU A 565 11.816 -10.809 -2.665 1.00 0.00 O ATOM 521 OE2 GLU A 565 13.631 -9.749 -3.307 1.00 0.00 O ATOM 0 H GLU A 565 8.445 -8.555 -3.998 1.00 0.00 H new ATOM 0 HA GLU A 565 11.037 -8.118 -3.380 1.00 0.00 H new ATOM 0 HB2 GLU A 565 9.856 -10.166 -4.423 1.00 0.00 H new ATOM 0 HB3 GLU A 565 10.192 -9.436 -5.980 1.00 0.00 H new ATOM 0 HG2 GLU A 565 11.899 -11.093 -5.397 1.00 0.00 H new ATOM 0 HG3 GLU A 565 12.598 -9.493 -5.540 1.00 0.00 H new ATOM 528 N GLY A 566 12.306 -6.646 -4.923 1.00 0.00 N ATOM 529 CA GLY A 566 12.989 -5.664 -5.744 1.00 0.00 C ATOM 530 C GLY A 566 13.080 -4.308 -5.072 1.00 0.00 C ATOM 531 O GLY A 566 14.096 -3.620 -5.182 1.00 0.00 O ATOM 0 H GLY A 566 12.828 -6.958 -4.105 1.00 0.00 H new ATOM 0 HA2 GLY A 566 13.993 -6.021 -5.972 1.00 0.00 H new ATOM 0 HA3 GLY A 566 12.464 -5.561 -6.694 1.00 0.00 H new ATOM 535 N ILE A 567 12.017 -3.922 -4.376 1.00 0.00 N ATOM 536 CA ILE A 567 11.981 -2.640 -3.684 1.00 0.00 C ATOM 537 C ILE A 567 12.658 -2.731 -2.320 1.00 0.00 C ATOM 538 O ILE A 567 12.171 -3.390 -1.401 1.00 0.00 O ATOM 539 CB ILE A 567 10.536 -2.142 -3.495 1.00 0.00 C ATOM 540 CG1 ILE A 567 9.875 -1.901 -4.853 1.00 0.00 C ATOM 541 CG2 ILE A 567 10.518 -0.871 -2.659 1.00 0.00 C ATOM 542 CD1 ILE A 567 8.374 -1.725 -4.772 1.00 0.00 C ATOM 0 H ILE A 567 11.168 -4.479 -4.276 1.00 0.00 H new ATOM 0 HA ILE A 567 12.523 -1.930 -4.309 1.00 0.00 H new ATOM 0 HB ILE A 567 9.970 -2.909 -2.967 1.00 0.00 H new ATOM 0 HG12 ILE A 567 10.313 -1.013 -5.309 1.00 0.00 H new ATOM 0 HG13 ILE A 567 10.099 -2.740 -5.511 1.00 0.00 H new ATOM 0 HG21 ILE A 567 9.490 -0.532 -2.535 1.00 0.00 H new ATOM 0 HG22 ILE A 567 10.954 -1.073 -1.681 1.00 0.00 H new ATOM 0 HG23 ILE A 567 11.097 -0.097 -3.162 1.00 0.00 H new ATOM 0 HD11 ILE A 567 7.973 -1.558 -5.772 1.00 0.00 H new ATOM 0 HD12 ILE A 567 7.925 -2.622 -4.346 1.00 0.00 H new ATOM 0 HD13 ILE A 567 8.142 -0.868 -4.140 1.00 0.00 H new ATOM 554 N PRO A 568 13.807 -2.055 -2.184 1.00 0.00 N ATOM 555 CA PRO A 568 14.575 -2.041 -0.935 1.00 0.00 C ATOM 556 C PRO A 568 13.930 -1.164 0.133 1.00 0.00 C ATOM 557 O PRO A 568 14.305 -0.004 0.306 1.00 0.00 O ATOM 558 CB PRO A 568 15.928 -1.464 -1.357 1.00 0.00 C ATOM 559 CG PRO A 568 15.624 -0.609 -2.538 1.00 0.00 C ATOM 560 CD PRO A 568 14.447 -1.249 -3.238 1.00 0.00 C ATOM 0 HA PRO A 568 14.641 -3.032 -0.486 1.00 0.00 H new ATOM 0 HB2 PRO A 568 16.378 -0.882 -0.553 1.00 0.00 H new ATOM 0 HB3 PRO A 568 16.633 -2.255 -1.612 1.00 0.00 H new ATOM 0 HG2 PRO A 568 15.385 0.409 -2.229 1.00 0.00 H new ATOM 0 HG3 PRO A 568 16.485 -0.547 -3.204 1.00 0.00 H new ATOM 0 HD2 PRO A 568 13.764 -0.500 -3.639 1.00 0.00 H new ATOM 0 HD3 PRO A 568 14.768 -1.868 -4.076 1.00 0.00 H new ATOM 568 N VAL A 569 12.960 -1.725 0.846 1.00 0.00 N ATOM 569 CA VAL A 569 12.264 -0.995 1.898 1.00 0.00 C ATOM 570 C VAL A 569 12.291 -1.765 3.214 1.00 0.00 C ATOM 571 O VAL A 569 12.346 -2.995 3.222 1.00 0.00 O ATOM 572 CB VAL A 569 10.800 -0.711 1.511 1.00 0.00 C ATOM 573 CG1 VAL A 569 10.011 -2.008 1.424 1.00 0.00 C ATOM 574 CG2 VAL A 569 10.162 0.244 2.508 1.00 0.00 C ATOM 0 H VAL A 569 12.638 -2.684 0.714 1.00 0.00 H new ATOM 0 HA VAL A 569 12.788 -0.048 2.025 1.00 0.00 H new ATOM 0 HB VAL A 569 10.786 -0.238 0.529 1.00 0.00 H new ATOM 0 HG11 VAL A 569 8.979 -1.788 1.150 1.00 0.00 H new ATOM 0 HG12 VAL A 569 10.457 -2.655 0.669 1.00 0.00 H new ATOM 0 HG13 VAL A 569 10.030 -2.511 2.391 1.00 0.00 H new ATOM 0 HG21 VAL A 569 9.128 0.434 2.220 1.00 0.00 H new ATOM 0 HG22 VAL A 569 10.185 -0.200 3.503 1.00 0.00 H new ATOM 0 HG23 VAL A 569 10.715 1.184 2.517 1.00 0.00 H new ATOM 584 N ASP A 570 12.250 -1.035 4.321 1.00 0.00 N ATOM 585 CA ASP A 570 12.268 -1.650 5.644 1.00 0.00 C ATOM 586 C ASP A 570 11.056 -2.556 5.838 1.00 0.00 C ATOM 587 O ASP A 570 10.184 -2.635 4.973 1.00 0.00 O ATOM 588 CB ASP A 570 12.296 -0.574 6.731 1.00 0.00 C ATOM 589 CG ASP A 570 13.699 -0.077 7.018 1.00 0.00 C ATOM 590 OD1 ASP A 570 14.358 0.416 6.079 1.00 0.00 O ATOM 591 OD2 ASP A 570 14.137 -0.182 8.182 1.00 0.00 O ATOM 0 H ASP A 570 12.204 -0.016 4.330 1.00 0.00 H new ATOM 0 HA ASP A 570 13.170 -2.257 5.723 1.00 0.00 H new ATOM 0 HB2 ASP A 570 11.672 0.265 6.423 1.00 0.00 H new ATOM 0 HB3 ASP A 570 11.862 -0.975 7.647 1.00 0.00 H new ATOM 596 N GLU A 571 11.009 -3.237 6.979 1.00 0.00 N ATOM 597 CA GLU A 571 9.904 -4.138 7.285 1.00 0.00 C ATOM 598 C GLU A 571 8.767 -3.390 7.974 1.00 0.00 C ATOM 599 O GLU A 571 7.593 -3.693 7.763 1.00 0.00 O ATOM 600 CB GLU A 571 10.386 -5.287 8.174 1.00 0.00 C ATOM 601 CG GLU A 571 9.321 -5.808 9.124 1.00 0.00 C ATOM 602 CD GLU A 571 9.512 -7.273 9.468 1.00 0.00 C ATOM 603 OE1 GLU A 571 9.669 -8.085 8.532 1.00 0.00 O ATOM 604 OE2 GLU A 571 9.505 -7.606 10.670 1.00 0.00 O ATOM 0 H GLU A 571 11.723 -3.182 7.706 1.00 0.00 H new ATOM 0 HA GLU A 571 9.530 -4.546 6.346 1.00 0.00 H new ATOM 0 HB2 GLU A 571 10.729 -6.106 7.541 1.00 0.00 H new ATOM 0 HB3 GLU A 571 11.246 -4.951 8.754 1.00 0.00 H new ATOM 0 HG2 GLU A 571 9.337 -5.218 10.041 1.00 0.00 H new ATOM 0 HG3 GLU A 571 8.338 -5.670 8.673 1.00 0.00 H new ATOM 611 N ASN A 572 9.124 -2.411 8.798 1.00 0.00 N ATOM 612 CA ASN A 572 8.133 -1.619 9.519 1.00 0.00 C ATOM 613 C ASN A 572 7.364 -0.711 8.565 1.00 0.00 C ATOM 614 O ASN A 572 6.160 -0.513 8.717 1.00 0.00 O ATOM 615 CB ASN A 572 8.812 -0.781 10.605 1.00 0.00 C ATOM 616 CG ASN A 572 9.389 0.511 10.062 1.00 0.00 C ATOM 617 OD1 ASN A 572 10.316 0.497 9.251 1.00 0.00 O ATOM 618 ND2 ASN A 572 8.843 1.636 10.506 1.00 0.00 N ATOM 0 H ASN A 572 10.091 -2.147 8.984 1.00 0.00 H new ATOM 0 HA ASN A 572 7.427 -2.304 9.987 1.00 0.00 H new ATOM 0 HB2 ASN A 572 8.089 -0.552 11.388 1.00 0.00 H new ATOM 0 HB3 ASN A 572 9.608 -1.365 11.067 1.00 0.00 H new ATOM 0 HD21 ASN A 572 9.190 2.536 10.175 1.00 0.00 H new ATOM 0 HD22 ASN A 572 8.076 1.600 11.178 1.00 0.00 H new ATOM 625 N ALA A 573 8.071 -0.161 7.583 1.00 0.00 N ATOM 626 CA ALA A 573 7.454 0.725 6.603 1.00 0.00 C ATOM 627 C ALA A 573 6.064 0.231 6.214 1.00 0.00 C ATOM 628 O ALA A 573 5.149 1.028 6.000 1.00 0.00 O ATOM 629 CB ALA A 573 8.338 0.845 5.370 1.00 0.00 C ATOM 0 H ALA A 573 9.070 -0.313 7.445 1.00 0.00 H new ATOM 0 HA ALA A 573 7.347 1.710 7.057 1.00 0.00 H new ATOM 0 HB1 ALA A 573 7.865 1.509 4.647 1.00 0.00 H new ATOM 0 HB2 ALA A 573 9.308 1.251 5.656 1.00 0.00 H new ATOM 0 HB3 ALA A 573 8.475 -0.140 4.923 1.00 0.00 H new ATOM 635 N VAL A 574 5.913 -1.086 6.123 1.00 0.00 N ATOM 636 CA VAL A 574 4.635 -1.685 5.760 1.00 0.00 C ATOM 637 C VAL A 574 3.745 -1.868 6.985 1.00 0.00 C ATOM 638 O VAL A 574 4.129 -2.530 7.950 1.00 0.00 O ATOM 639 CB VAL A 574 4.830 -3.050 5.073 1.00 0.00 C ATOM 640 CG1 VAL A 574 3.490 -3.634 4.655 1.00 0.00 C ATOM 641 CG2 VAL A 574 5.758 -2.914 3.874 1.00 0.00 C ATOM 0 H VAL A 574 6.660 -1.759 6.296 1.00 0.00 H new ATOM 0 HA VAL A 574 4.152 -1.001 5.063 1.00 0.00 H new ATOM 0 HB VAL A 574 5.291 -3.734 5.786 1.00 0.00 H new ATOM 0 HG11 VAL A 574 3.648 -4.598 4.172 1.00 0.00 H new ATOM 0 HG12 VAL A 574 2.861 -3.768 5.535 1.00 0.00 H new ATOM 0 HG13 VAL A 574 2.999 -2.955 3.958 1.00 0.00 H new ATOM 0 HG21 VAL A 574 5.885 -3.887 3.400 1.00 0.00 H new ATOM 0 HG22 VAL A 574 5.327 -2.215 3.157 1.00 0.00 H new ATOM 0 HG23 VAL A 574 6.728 -2.542 4.205 1.00 0.00 H new ATOM 651 N HIS A 575 2.556 -1.277 6.938 1.00 0.00 N ATOM 652 CA HIS A 575 1.610 -1.376 8.045 1.00 0.00 C ATOM 653 C HIS A 575 0.363 -2.148 7.627 1.00 0.00 C ATOM 654 O HIS A 575 -0.493 -1.626 6.912 1.00 0.00 O ATOM 655 CB HIS A 575 1.221 0.018 8.536 1.00 0.00 C ATOM 656 CG HIS A 575 2.352 0.769 9.166 1.00 0.00 C ATOM 657 ND1 HIS A 575 2.186 1.623 10.236 1.00 0.00 N ATOM 658 CD2 HIS A 575 3.673 0.791 8.872 1.00 0.00 C ATOM 659 CE1 HIS A 575 3.356 2.138 10.572 1.00 0.00 C ATOM 660 NE2 HIS A 575 4.275 1.649 9.760 1.00 0.00 N ATOM 0 H HIS A 575 2.224 -0.725 6.147 1.00 0.00 H new ATOM 0 HA HIS A 575 2.094 -1.917 8.858 1.00 0.00 H new ATOM 0 HB2 HIS A 575 0.836 0.596 7.696 1.00 0.00 H new ATOM 0 HB3 HIS A 575 0.410 -0.074 9.258 1.00 0.00 H new ATOM 0 HD1 HIS A 575 1.299 1.826 10.696 1.00 0.00 H new ATOM 0 HD2 HIS A 575 4.163 0.237 8.085 1.00 0.00 H new ATOM 0 HE1 HIS A 575 3.531 2.840 11.374 1.00 0.00 H new ATOM 668 N VAL A 576 0.267 -3.396 8.075 1.00 0.00 N ATOM 669 CA VAL A 576 -0.876 -4.240 7.748 1.00 0.00 C ATOM 670 C VAL A 576 -2.087 -3.881 8.601 1.00 0.00 C ATOM 671 O VAL A 576 -1.948 -3.456 9.749 1.00 0.00 O ATOM 672 CB VAL A 576 -0.547 -5.731 7.944 1.00 0.00 C ATOM 673 CG1 VAL A 576 -1.753 -6.594 7.604 1.00 0.00 C ATOM 674 CG2 VAL A 576 0.656 -6.127 7.102 1.00 0.00 C ATOM 0 H VAL A 576 0.967 -3.845 8.665 1.00 0.00 H new ATOM 0 HA VAL A 576 -1.110 -4.062 6.698 1.00 0.00 H new ATOM 0 HB VAL A 576 -0.297 -5.894 8.992 1.00 0.00 H new ATOM 0 HG11 VAL A 576 -1.501 -7.645 7.749 1.00 0.00 H new ATOM 0 HG12 VAL A 576 -2.586 -6.328 8.255 1.00 0.00 H new ATOM 0 HG13 VAL A 576 -2.037 -6.429 6.565 1.00 0.00 H new ATOM 0 HG21 VAL A 576 0.874 -7.184 7.253 1.00 0.00 H new ATOM 0 HG22 VAL A 576 0.438 -5.949 6.049 1.00 0.00 H new ATOM 0 HG23 VAL A 576 1.520 -5.532 7.399 1.00 0.00 H new ATOM 684 N LEU A 577 -3.276 -4.057 8.036 1.00 0.00 N ATOM 685 CA LEU A 577 -4.514 -3.752 8.746 1.00 0.00 C ATOM 686 C LEU A 577 -5.036 -4.981 9.482 1.00 0.00 C ATOM 687 O LEU A 577 -4.825 -6.114 9.049 1.00 0.00 O ATOM 688 CB LEU A 577 -5.574 -3.243 7.767 1.00 0.00 C ATOM 689 CG LEU A 577 -5.422 -1.792 7.309 1.00 0.00 C ATOM 690 CD1 LEU A 577 -6.574 -1.395 6.400 1.00 0.00 C ATOM 691 CD2 LEU A 577 -5.342 -0.858 8.509 1.00 0.00 C ATOM 0 H LEU A 577 -3.410 -4.409 7.088 1.00 0.00 H new ATOM 0 HA LEU A 577 -4.301 -2.974 9.479 1.00 0.00 H new ATOM 0 HB2 LEU A 577 -5.564 -3.884 6.886 1.00 0.00 H new ATOM 0 HB3 LEU A 577 -6.553 -3.356 8.232 1.00 0.00 H new ATOM 0 HG LEU A 577 -4.494 -1.706 6.744 1.00 0.00 H new ATOM 0 HD11 LEU A 577 -6.448 -0.359 6.084 1.00 0.00 H new ATOM 0 HD12 LEU A 577 -6.586 -2.043 5.523 1.00 0.00 H new ATOM 0 HD13 LEU A 577 -7.515 -1.498 6.940 1.00 0.00 H new ATOM 0 HD21 LEU A 577 -5.234 0.170 8.163 1.00 0.00 H new ATOM 0 HD22 LEU A 577 -6.253 -0.948 9.101 1.00 0.00 H new ATOM 0 HD23 LEU A 577 -4.482 -1.127 9.122 1.00 0.00 H new ATOM 809 N GLY A 586 -8.182 -7.610 4.856 1.00 0.00 N ATOM 810 CA GLY A 586 -7.366 -7.977 3.714 1.00 0.00 C ATOM 811 C GLY A 586 -6.757 -6.771 3.027 1.00 0.00 C ATOM 812 O GLY A 586 -6.972 -6.555 1.834 1.00 0.00 O ATOM 0 HA2 GLY A 586 -6.570 -8.646 4.040 1.00 0.00 H new ATOM 0 HA3 GLY A 586 -7.975 -8.530 2.999 1.00 0.00 H new ATOM 816 N GLN A 587 -5.996 -5.983 3.780 1.00 0.00 N ATOM 817 CA GLN A 587 -5.357 -4.791 3.234 1.00 0.00 C ATOM 818 C GLN A 587 -4.052 -4.492 3.964 1.00 0.00 C ATOM 819 O GLN A 587 -3.815 -4.990 5.063 1.00 0.00 O ATOM 820 CB GLN A 587 -6.299 -3.590 3.336 1.00 0.00 C ATOM 821 CG GLN A 587 -7.386 -3.577 2.274 1.00 0.00 C ATOM 822 CD GLN A 587 -8.329 -2.399 2.417 1.00 0.00 C ATOM 823 OE1 GLN A 587 -8.299 -1.464 1.617 1.00 0.00 O ATOM 824 NE2 GLN A 587 -9.174 -2.439 3.442 1.00 0.00 N ATOM 0 H GLN A 587 -5.807 -6.148 4.769 1.00 0.00 H new ATOM 0 HA GLN A 587 -5.131 -4.978 2.184 1.00 0.00 H new ATOM 0 HB2 GLN A 587 -6.765 -3.587 4.321 1.00 0.00 H new ATOM 0 HB3 GLN A 587 -5.715 -2.673 3.257 1.00 0.00 H new ATOM 0 HG2 GLN A 587 -6.924 -3.550 1.287 1.00 0.00 H new ATOM 0 HG3 GLN A 587 -7.957 -4.504 2.333 1.00 0.00 H new ATOM 0 HE21 GLN A 587 -9.164 -3.234 4.081 1.00 0.00 H new ATOM 0 HE22 GLN A 587 -9.833 -1.674 3.590 1.00 0.00 H new ATOM 833 N ALA A 588 -3.206 -3.675 3.343 1.00 0.00 N ATOM 834 CA ALA A 588 -1.926 -3.308 3.933 1.00 0.00 C ATOM 835 C ALA A 588 -1.378 -2.030 3.306 1.00 0.00 C ATOM 836 O ALA A 588 -1.529 -1.802 2.105 1.00 0.00 O ATOM 837 CB ALA A 588 -0.928 -4.446 3.777 1.00 0.00 C ATOM 0 H ALA A 588 -3.386 -3.255 2.431 1.00 0.00 H new ATOM 0 HA ALA A 588 -2.084 -3.121 4.995 1.00 0.00 H new ATOM 0 HB1 ALA A 588 0.024 -4.158 4.222 1.00 0.00 H new ATOM 0 HB2 ALA A 588 -1.309 -5.336 4.279 1.00 0.00 H new ATOM 0 HB3 ALA A 588 -0.783 -4.661 2.718 1.00 0.00 H new ATOM 843 N LEU A 589 -0.741 -1.201 4.125 1.00 0.00 N ATOM 844 CA LEU A 589 -0.170 0.054 3.651 1.00 0.00 C ATOM 845 C LEU A 589 1.351 -0.034 3.570 1.00 0.00 C ATOM 846 O LEU A 589 1.978 -0.799 4.302 1.00 0.00 O ATOM 847 CB LEU A 589 -0.577 1.204 4.573 1.00 0.00 C ATOM 848 CG LEU A 589 -2.026 1.680 4.454 1.00 0.00 C ATOM 849 CD1 LEU A 589 -2.441 2.444 5.702 1.00 0.00 C ATOM 850 CD2 LEU A 589 -2.203 2.544 3.215 1.00 0.00 C ATOM 0 H LEU A 589 -0.607 -1.375 5.121 1.00 0.00 H new ATOM 0 HA LEU A 589 -0.558 0.244 2.650 1.00 0.00 H new ATOM 0 HB2 LEU A 589 -0.400 0.897 5.604 1.00 0.00 H new ATOM 0 HB3 LEU A 589 0.080 2.051 4.376 1.00 0.00 H new ATOM 0 HG LEU A 589 -2.669 0.805 4.358 1.00 0.00 H new ATOM 0 HD11 LEU A 589 -3.474 2.775 5.599 1.00 0.00 H new ATOM 0 HD12 LEU A 589 -2.353 1.794 6.573 1.00 0.00 H new ATOM 0 HD13 LEU A 589 -1.793 3.311 5.830 1.00 0.00 H new ATOM 0 HD21 LEU A 589 -3.240 2.874 3.146 1.00 0.00 H new ATOM 0 HD22 LEU A 589 -1.549 3.414 3.281 1.00 0.00 H new ATOM 0 HD23 LEU A 589 -1.947 1.965 2.328 1.00 0.00 H new ATOM 862 N VAL A 590 1.939 0.756 2.677 1.00 0.00 N ATOM 863 CA VAL A 590 3.386 0.770 2.503 1.00 0.00 C ATOM 864 C VAL A 590 3.925 2.195 2.491 1.00 0.00 C ATOM 865 O VAL A 590 3.486 3.028 1.698 1.00 0.00 O ATOM 866 CB VAL A 590 3.801 0.064 1.199 1.00 0.00 C ATOM 867 CG1 VAL A 590 5.317 -0.001 1.086 1.00 0.00 C ATOM 868 CG2 VAL A 590 3.193 -1.329 1.130 1.00 0.00 C ATOM 0 H VAL A 590 1.435 1.395 2.063 1.00 0.00 H new ATOM 0 HA VAL A 590 3.812 0.232 3.350 1.00 0.00 H new ATOM 0 HB VAL A 590 3.422 0.643 0.357 1.00 0.00 H new ATOM 0 HG11 VAL A 590 5.592 -0.503 0.158 1.00 0.00 H new ATOM 0 HG12 VAL A 590 5.726 1.010 1.086 1.00 0.00 H new ATOM 0 HG13 VAL A 590 5.721 -0.556 1.932 1.00 0.00 H new ATOM 0 HG21 VAL A 590 3.497 -1.813 0.202 1.00 0.00 H new ATOM 0 HG22 VAL A 590 3.540 -1.920 1.978 1.00 0.00 H new ATOM 0 HG23 VAL A 590 2.106 -1.254 1.161 1.00 0.00 H new ATOM 878 N GLN A 591 4.879 2.469 3.375 1.00 0.00 N ATOM 879 CA GLN A 591 5.477 3.795 3.465 1.00 0.00 C ATOM 880 C GLN A 591 6.920 3.776 2.971 1.00 0.00 C ATOM 881 O GLN A 591 7.758 3.044 3.497 1.00 0.00 O ATOM 882 CB GLN A 591 5.427 4.304 4.907 1.00 0.00 C ATOM 883 CG GLN A 591 5.932 5.728 5.068 1.00 0.00 C ATOM 884 CD GLN A 591 6.509 5.991 6.446 1.00 0.00 C ATOM 885 OE1 GLN A 591 6.293 5.219 7.380 1.00 0.00 O ATOM 886 NE2 GLN A 591 7.249 7.086 6.579 1.00 0.00 N ATOM 0 H GLN A 591 5.254 1.791 4.038 1.00 0.00 H new ATOM 0 HA GLN A 591 4.902 4.468 2.829 1.00 0.00 H new ATOM 0 HB2 GLN A 591 4.400 4.249 5.267 1.00 0.00 H new ATOM 0 HB3 GLN A 591 6.022 3.643 5.537 1.00 0.00 H new ATOM 0 HG2 GLN A 591 6.695 5.926 4.315 1.00 0.00 H new ATOM 0 HG3 GLN A 591 5.113 6.423 4.883 1.00 0.00 H new ATOM 0 HE21 GLN A 591 7.402 7.698 5.778 1.00 0.00 H new ATOM 0 HE22 GLN A 591 7.664 7.315 7.482 1.00 0.00 H new ATOM 895 N PHE A 592 7.204 4.586 1.956 1.00 0.00 N ATOM 896 CA PHE A 592 8.545 4.661 1.389 1.00 0.00 C ATOM 897 C PHE A 592 9.246 5.946 1.821 1.00 0.00 C ATOM 898 O PHE A 592 8.672 6.774 2.527 1.00 0.00 O ATOM 899 CB PHE A 592 8.482 4.590 -0.138 1.00 0.00 C ATOM 900 CG PHE A 592 8.004 3.263 -0.656 1.00 0.00 C ATOM 901 CD1 PHE A 592 8.812 2.141 -0.577 1.00 0.00 C ATOM 902 CD2 PHE A 592 6.745 3.139 -1.223 1.00 0.00 C ATOM 903 CE1 PHE A 592 8.375 0.919 -1.052 1.00 0.00 C ATOM 904 CE2 PHE A 592 6.304 1.920 -1.700 1.00 0.00 C ATOM 905 CZ PHE A 592 7.119 0.808 -1.616 1.00 0.00 C ATOM 0 H PHE A 592 6.523 5.200 1.509 1.00 0.00 H new ATOM 0 HA PHE A 592 9.118 3.812 1.761 1.00 0.00 H new ATOM 0 HB2 PHE A 592 7.819 5.374 -0.503 1.00 0.00 H new ATOM 0 HB3 PHE A 592 9.472 4.795 -0.545 1.00 0.00 H new ATOM 0 HD1 PHE A 592 9.796 2.222 -0.139 1.00 0.00 H new ATOM 0 HD2 PHE A 592 6.102 4.004 -1.292 1.00 0.00 H new ATOM 0 HE1 PHE A 592 9.015 0.052 -0.982 1.00 0.00 H new ATOM 0 HE2 PHE A 592 5.321 1.836 -2.139 1.00 0.00 H new ATOM 0 HZ PHE A 592 6.775 -0.145 -1.990 1.00 0.00 H new ATOM 915 N LYS A 593 10.494 6.105 1.390 1.00 0.00 N ATOM 916 CA LYS A 593 11.275 7.287 1.729 1.00 0.00 C ATOM 917 C LYS A 593 11.228 8.314 0.602 1.00 0.00 C ATOM 918 O LYS A 593 11.363 9.514 0.836 1.00 0.00 O ATOM 919 CB LYS A 593 12.727 6.899 2.019 1.00 0.00 C ATOM 920 CG LYS A 593 12.868 5.809 3.067 1.00 0.00 C ATOM 921 CD LYS A 593 12.662 6.356 4.470 1.00 0.00 C ATOM 922 CE LYS A 593 13.903 7.076 4.976 1.00 0.00 C ATOM 923 NZ LYS A 593 14.970 6.123 5.384 1.00 0.00 N ATOM 0 H LYS A 593 10.985 5.429 0.805 1.00 0.00 H new ATOM 0 HA LYS A 593 10.839 7.734 2.622 1.00 0.00 H new ATOM 0 HB2 LYS A 593 13.197 6.565 1.094 1.00 0.00 H new ATOM 0 HB3 LYS A 593 13.271 7.783 2.351 1.00 0.00 H new ATOM 0 HG2 LYS A 593 12.142 5.020 2.873 1.00 0.00 H new ATOM 0 HG3 LYS A 593 13.857 5.357 2.993 1.00 0.00 H new ATOM 0 HD2 LYS A 593 11.815 7.042 4.473 1.00 0.00 H new ATOM 0 HD3 LYS A 593 12.413 5.539 5.147 1.00 0.00 H new ATOM 0 HE2 LYS A 593 14.284 7.735 4.196 1.00 0.00 H new ATOM 0 HE3 LYS A 593 13.636 7.707 5.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 593 15.734 6.642 5.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 593 14.573 5.415 6.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 593 15.350 5.646 4.542 1.00 0.00 H new ATOM 937 N ASN A 594 11.033 7.832 -0.623 1.00 0.00 N ATOM 938 CA ASN A 594 10.967 8.708 -1.786 1.00 0.00 C ATOM 939 C ASN A 594 10.185 8.049 -2.919 1.00 0.00 C ATOM 940 O ASN A 594 9.837 6.872 -2.842 1.00 0.00 O ATOM 941 CB ASN A 594 12.377 9.063 -2.264 1.00 0.00 C ATOM 942 CG ASN A 594 13.329 7.886 -2.183 1.00 0.00 C ATOM 943 OD1 ASN A 594 12.950 6.747 -2.456 1.00 0.00 O ATOM 944 ND2 ASN A 594 14.573 8.156 -1.806 1.00 0.00 N ATOM 0 H ASN A 594 10.918 6.841 -0.834 1.00 0.00 H new ATOM 0 HA ASN A 594 10.449 9.621 -1.493 1.00 0.00 H new ATOM 0 HB2 ASN A 594 12.330 9.418 -3.293 1.00 0.00 H new ATOM 0 HB3 ASN A 594 12.766 9.884 -1.661 1.00 0.00 H new ATOM 0 HD21 ASN A 594 15.258 7.404 -1.733 1.00 0.00 H new ATOM 0 HD22 ASN A 594 14.843 9.115 -1.589 1.00 0.00 H new ATOM 951 N GLU A 595 9.914 8.818 -3.969 1.00 0.00 N ATOM 952 CA GLU A 595 9.173 8.308 -5.117 1.00 0.00 C ATOM 953 C GLU A 595 9.932 7.170 -5.792 1.00 0.00 C ATOM 954 O GLU A 595 9.336 6.186 -6.229 1.00 0.00 O ATOM 955 CB GLU A 595 8.914 9.431 -6.123 1.00 0.00 C ATOM 956 CG GLU A 595 8.155 10.611 -5.537 1.00 0.00 C ATOM 957 CD GLU A 595 7.951 11.729 -6.541 1.00 0.00 C ATOM 958 OE1 GLU A 595 7.269 11.493 -7.561 1.00 0.00 O ATOM 959 OE2 GLU A 595 8.472 12.839 -6.307 1.00 0.00 O ATOM 0 H GLU A 595 10.196 9.795 -4.048 1.00 0.00 H new ATOM 0 HA GLU A 595 8.218 7.922 -4.760 1.00 0.00 H new ATOM 0 HB2 GLU A 595 9.868 9.783 -6.516 1.00 0.00 H new ATOM 0 HB3 GLU A 595 8.351 9.030 -6.966 1.00 0.00 H new ATOM 0 HG2 GLU A 595 7.185 10.271 -5.175 1.00 0.00 H new ATOM 0 HG3 GLU A 595 8.699 10.997 -4.675 1.00 0.00 H new ATOM 966 N ASP A 596 11.251 7.313 -5.874 1.00 0.00 N ATOM 967 CA ASP A 596 12.092 6.298 -6.496 1.00 0.00 C ATOM 968 C ASP A 596 11.635 4.897 -6.103 1.00 0.00 C ATOM 969 O ASP A 596 11.731 3.957 -6.891 1.00 0.00 O ATOM 970 CB ASP A 596 13.554 6.502 -6.095 1.00 0.00 C ATOM 971 CG ASP A 596 14.473 5.463 -6.709 1.00 0.00 C ATOM 972 OD1 ASP A 596 14.628 4.379 -6.110 1.00 0.00 O ATOM 973 OD2 ASP A 596 15.037 5.736 -7.790 1.00 0.00 O ATOM 0 H ASP A 596 11.760 8.122 -5.517 1.00 0.00 H new ATOM 0 HA ASP A 596 12.002 6.400 -7.577 1.00 0.00 H new ATOM 0 HB2 ASP A 596 13.877 7.496 -6.403 1.00 0.00 H new ATOM 0 HB3 ASP A 596 13.639 6.462 -5.009 1.00 0.00 H new ATOM 978 N ASP A 597 11.137 4.765 -4.878 1.00 0.00 N ATOM 979 CA ASP A 597 10.664 3.479 -4.379 1.00 0.00 C ATOM 980 C ASP A 597 9.158 3.340 -4.576 1.00 0.00 C ATOM 981 O ASP A 597 8.658 2.257 -4.878 1.00 0.00 O ATOM 982 CB ASP A 597 11.014 3.322 -2.898 1.00 0.00 C ATOM 983 CG ASP A 597 12.476 3.609 -2.615 1.00 0.00 C ATOM 984 OD1 ASP A 597 13.336 3.086 -3.355 1.00 0.00 O ATOM 985 OD2 ASP A 597 12.759 4.354 -1.655 1.00 0.00 O ATOM 0 H ASP A 597 11.051 5.533 -4.212 1.00 0.00 H new ATOM 0 HA ASP A 597 11.161 2.692 -4.947 1.00 0.00 H new ATOM 0 HB2 ASP A 597 10.393 3.996 -2.308 1.00 0.00 H new ATOM 0 HB3 ASP A 597 10.777 2.308 -2.577 1.00 0.00 H new ATOM 990 N ALA A 598 8.440 4.444 -4.401 1.00 0.00 N ATOM 991 CA ALA A 598 6.990 4.447 -4.560 1.00 0.00 C ATOM 992 C ALA A 598 6.593 4.061 -5.982 1.00 0.00 C ATOM 993 O ALA A 598 5.894 3.071 -6.195 1.00 0.00 O ATOM 994 CB ALA A 598 6.422 5.812 -4.203 1.00 0.00 C ATOM 0 H ALA A 598 8.838 5.349 -4.149 1.00 0.00 H new ATOM 0 HA ALA A 598 6.573 3.704 -3.880 1.00 0.00 H new ATOM 0 HB1 ALA A 598 5.339 5.799 -4.326 1.00 0.00 H new ATOM 0 HB2 ALA A 598 6.666 6.048 -3.167 1.00 0.00 H new ATOM 0 HB3 ALA A 598 6.853 6.568 -4.859 1.00 0.00 H new ATOM 1000 N ARG A 599 7.044 4.851 -6.951 1.00 0.00 N ATOM 1001 CA ARG A 599 6.735 4.593 -8.352 1.00 0.00 C ATOM 1002 C ARG A 599 6.736 3.094 -8.643 1.00 0.00 C ATOM 1003 O ARG A 599 5.742 2.542 -9.114 1.00 0.00 O ATOM 1004 CB ARG A 599 7.744 5.300 -9.258 1.00 0.00 C ATOM 1005 CG ARG A 599 7.645 6.815 -9.215 1.00 0.00 C ATOM 1006 CD ARG A 599 6.640 7.337 -10.230 1.00 0.00 C ATOM 1007 NE ARG A 599 6.996 6.964 -11.596 1.00 0.00 N ATOM 1008 CZ ARG A 599 6.377 7.435 -12.671 1.00 0.00 C ATOM 1009 NH1 ARG A 599 5.375 8.294 -12.542 1.00 0.00 N ATOM 1010 NH2 ARG A 599 6.760 7.048 -13.882 1.00 0.00 N ATOM 0 H ARG A 599 7.624 5.675 -6.792 1.00 0.00 H new ATOM 0 HA ARG A 599 5.738 4.984 -8.556 1.00 0.00 H new ATOM 0 HB2 ARG A 599 8.751 5.002 -8.967 1.00 0.00 H new ATOM 0 HB3 ARG A 599 7.596 4.964 -10.284 1.00 0.00 H new ATOM 0 HG2 ARG A 599 7.352 7.133 -8.215 1.00 0.00 H new ATOM 0 HG3 ARG A 599 8.624 7.250 -9.414 1.00 0.00 H new ATOM 0 HD2 ARG A 599 5.650 6.946 -9.994 1.00 0.00 H new ATOM 0 HD3 ARG A 599 6.580 8.423 -10.155 1.00 0.00 H new ATOM 0 HE ARG A 599 7.763 6.305 -11.731 1.00 0.00 H new ATOM 0 HH11 ARG A 599 5.078 8.595 -11.614 1.00 0.00 H new ATOM 0 HH12 ARG A 599 4.902 8.654 -13.371 1.00 0.00 H new ATOM 0 HH21 ARG A 599 7.531 6.388 -13.987 1.00 0.00 H new ATOM 0 HH22 ARG A 599 6.284 7.411 -14.708 1.00 0.00 H new ATOM 1024 N LYS A 600 7.859 2.444 -8.358 1.00 0.00 N ATOM 1025 CA LYS A 600 7.990 1.010 -8.587 1.00 0.00 C ATOM 1026 C LYS A 600 6.703 0.279 -8.219 1.00 0.00 C ATOM 1027 O LYS A 600 6.186 -0.519 -9.000 1.00 0.00 O ATOM 1028 CB LYS A 600 9.159 0.448 -7.775 1.00 0.00 C ATOM 1029 CG LYS A 600 10.505 1.040 -8.156 1.00 0.00 C ATOM 1030 CD LYS A 600 11.567 0.724 -7.116 1.00 0.00 C ATOM 1031 CE LYS A 600 12.293 -0.574 -7.436 1.00 0.00 C ATOM 1032 NZ LYS A 600 12.750 -0.620 -8.852 1.00 0.00 N ATOM 0 H LYS A 600 8.691 2.887 -7.968 1.00 0.00 H new ATOM 0 HA LYS A 600 8.184 0.854 -9.648 1.00 0.00 H new ATOM 0 HB2 LYS A 600 8.977 0.633 -6.716 1.00 0.00 H new ATOM 0 HB3 LYS A 600 9.196 -0.633 -7.908 1.00 0.00 H new ATOM 0 HG2 LYS A 600 10.815 0.648 -9.125 1.00 0.00 H new ATOM 0 HG3 LYS A 600 10.411 2.120 -8.265 1.00 0.00 H new ATOM 0 HD2 LYS A 600 12.286 1.542 -7.069 1.00 0.00 H new ATOM 0 HD3 LYS A 600 11.103 0.650 -6.132 1.00 0.00 H new ATOM 0 HE2 LYS A 600 13.152 -0.682 -6.774 1.00 0.00 H new ATOM 0 HE3 LYS A 600 11.631 -1.418 -7.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 600 13.604 -1.209 -8.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 600 11.999 -1.026 -9.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 600 12.966 0.343 -9.178 1.00 0.00 H new ATOM 1046 N SER A 601 6.191 0.558 -7.025 1.00 0.00 N ATOM 1047 CA SER A 601 4.965 -0.075 -6.552 1.00 0.00 C ATOM 1048 C SER A 601 3.914 -0.115 -7.657 1.00 0.00 C ATOM 1049 O SER A 601 3.279 -1.143 -7.887 1.00 0.00 O ATOM 1050 CB SER A 601 4.415 0.675 -5.337 1.00 0.00 C ATOM 1051 OG SER A 601 3.734 1.854 -5.729 1.00 0.00 O ATOM 0 H SER A 601 6.606 1.218 -6.367 1.00 0.00 H new ATOM 0 HA SER A 601 5.202 -1.099 -6.262 1.00 0.00 H new ATOM 0 HB2 SER A 601 3.736 0.027 -4.783 1.00 0.00 H new ATOM 0 HB3 SER A 601 5.233 0.931 -4.663 1.00 0.00 H new ATOM 0 HG SER A 601 4.383 2.519 -6.039 1.00 0.00 H new ATOM 1057 N GLU A 602 3.735 1.014 -8.337 1.00 0.00 N ATOM 1058 CA GLU A 602 2.760 1.107 -9.418 1.00 0.00 C ATOM 1059 C GLU A 602 3.029 0.052 -10.486 1.00 0.00 C ATOM 1060 O GLU A 602 2.101 -0.483 -11.093 1.00 0.00 O ATOM 1061 CB GLU A 602 2.793 2.503 -10.044 1.00 0.00 C ATOM 1062 CG GLU A 602 2.163 3.576 -9.172 1.00 0.00 C ATOM 1063 CD GLU A 602 2.284 4.962 -9.775 1.00 0.00 C ATOM 1064 OE1 GLU A 602 1.852 5.147 -10.931 1.00 0.00 O ATOM 1065 OE2 GLU A 602 2.811 5.863 -9.087 1.00 0.00 O ATOM 0 H GLU A 602 4.251 1.875 -8.159 1.00 0.00 H new ATOM 0 HA GLU A 602 1.770 0.928 -8.997 1.00 0.00 H new ATOM 0 HB2 GLU A 602 3.828 2.775 -10.250 1.00 0.00 H new ATOM 0 HB3 GLU A 602 2.274 2.475 -11.002 1.00 0.00 H new ATOM 0 HG2 GLU A 602 1.110 3.342 -9.018 1.00 0.00 H new ATOM 0 HG3 GLU A 602 2.639 3.568 -8.191 1.00 0.00 H new ATOM 1072 N ARG A 603 4.306 -0.242 -10.712 1.00 0.00 N ATOM 1073 CA ARG A 603 4.697 -1.232 -11.709 1.00 0.00 C ATOM 1074 C ARG A 603 4.087 -2.594 -11.392 1.00 0.00 C ATOM 1075 O ARG A 603 3.971 -3.452 -12.267 1.00 0.00 O ATOM 1076 CB ARG A 603 6.222 -1.347 -11.772 1.00 0.00 C ATOM 1077 CG ARG A 603 6.721 -2.182 -12.939 1.00 0.00 C ATOM 1078 CD ARG A 603 8.124 -2.712 -12.685 1.00 0.00 C ATOM 1079 NE ARG A 603 8.612 -3.523 -13.796 1.00 0.00 N ATOM 1080 CZ ARG A 603 9.065 -3.013 -14.936 1.00 0.00 C ATOM 1081 NH1 ARG A 603 9.092 -1.699 -15.113 1.00 0.00 N ATOM 1082 NH2 ARG A 603 9.493 -3.817 -15.900 1.00 0.00 N ATOM 0 H ARG A 603 5.087 0.191 -10.219 1.00 0.00 H new ATOM 0 HA ARG A 603 4.323 -0.903 -12.678 1.00 0.00 H new ATOM 0 HB2 ARG A 603 6.651 -0.347 -11.842 1.00 0.00 H new ATOM 0 HB3 ARG A 603 6.584 -1.785 -10.842 1.00 0.00 H new ATOM 0 HG2 ARG A 603 6.041 -3.017 -13.108 1.00 0.00 H new ATOM 0 HG3 ARG A 603 6.717 -1.579 -13.847 1.00 0.00 H new ATOM 0 HD2 ARG A 603 8.803 -1.875 -12.521 1.00 0.00 H new ATOM 0 HD3 ARG A 603 8.127 -3.308 -11.772 1.00 0.00 H new ATOM 0 HE ARG A 603 8.605 -4.538 -13.691 1.00 0.00 H new ATOM 0 HH11 ARG A 603 8.765 -1.078 -14.373 1.00 0.00 H new ATOM 0 HH12 ARG A 603 9.440 -1.309 -15.989 1.00 0.00 H new ATOM 0 HH21 ARG A 603 9.475 -4.828 -15.767 1.00 0.00 H new ATOM 0 HH22 ARG A 603 9.841 -3.424 -16.775 1.00 0.00 H new ATOM 1096 N LEU A 604 3.698 -2.784 -10.136 1.00 0.00 N ATOM 1097 CA LEU A 604 3.099 -4.041 -9.703 1.00 0.00 C ATOM 1098 C LEU A 604 1.585 -3.909 -9.578 1.00 0.00 C ATOM 1099 O LEU A 604 0.922 -4.763 -8.987 1.00 0.00 O ATOM 1100 CB LEU A 604 3.696 -4.479 -8.363 1.00 0.00 C ATOM 1101 CG LEU A 604 5.206 -4.716 -8.348 1.00 0.00 C ATOM 1102 CD1 LEU A 604 5.684 -5.020 -6.936 1.00 0.00 C ATOM 1103 CD2 LEU A 604 5.578 -5.849 -9.294 1.00 0.00 C ATOM 0 H LEU A 604 3.787 -2.084 -9.400 1.00 0.00 H new ATOM 0 HA LEU A 604 3.318 -4.797 -10.457 1.00 0.00 H new ATOM 0 HB2 LEU A 604 3.460 -3.720 -7.617 1.00 0.00 H new ATOM 0 HB3 LEU A 604 3.201 -5.398 -8.050 1.00 0.00 H new ATOM 0 HG LEU A 604 5.701 -3.807 -8.690 1.00 0.00 H new ATOM 0 HD11 LEU A 604 6.761 -5.186 -6.944 1.00 0.00 H new ATOM 0 HD12 LEU A 604 5.452 -4.178 -6.284 1.00 0.00 H new ATOM 0 HD13 LEU A 604 5.182 -5.914 -6.567 1.00 0.00 H new ATOM 0 HD21 LEU A 604 6.657 -6.003 -9.270 1.00 0.00 H new ATOM 0 HD22 LEU A 604 5.073 -6.764 -8.982 1.00 0.00 H new ATOM 0 HD23 LEU A 604 5.271 -5.592 -10.308 1.00 0.00 H new ATOM 1115 N HIS A 605 1.041 -2.835 -10.141 1.00 0.00 N ATOM 1116 CA HIS A 605 -0.396 -2.591 -10.096 1.00 0.00 C ATOM 1117 C HIS A 605 -1.154 -3.672 -10.861 1.00 0.00 C ATOM 1118 O HIS A 605 -0.702 -4.140 -11.905 1.00 0.00 O ATOM 1119 CB HIS A 605 -0.721 -1.215 -10.679 1.00 0.00 C ATOM 1120 CG HIS A 605 -2.164 -0.835 -10.549 1.00 0.00 C ATOM 1121 ND1 HIS A 605 -2.926 -1.140 -9.440 1.00 0.00 N ATOM 1122 CD2 HIS A 605 -2.984 -0.171 -11.397 1.00 0.00 C ATOM 1123 CE1 HIS A 605 -4.153 -0.681 -9.612 1.00 0.00 C ATOM 1124 NE2 HIS A 605 -4.213 -0.088 -10.792 1.00 0.00 N ATOM 0 H HIS A 605 1.574 -2.119 -10.634 1.00 0.00 H new ATOM 0 HA HIS A 605 -0.711 -2.618 -9.053 1.00 0.00 H new ATOM 0 HB2 HIS A 605 -0.110 -0.464 -10.179 1.00 0.00 H new ATOM 0 HB3 HIS A 605 -0.444 -1.201 -11.733 1.00 0.00 H new ATOM 0 HD2 HIS A 605 -2.720 0.220 -12.368 1.00 0.00 H new ATOM 0 HE1 HIS A 605 -4.967 -0.774 -8.909 1.00 0.00 H new ATOM 0 HE2 HIS A 605 -5.039 0.359 -11.189 1.00 0.00 H new ATOM 1132 N ARG A 606 -2.308 -4.065 -10.333 1.00 0.00 N ATOM 1133 CA ARG A 606 -3.128 -5.092 -10.965 1.00 0.00 C ATOM 1134 C ARG A 606 -2.363 -6.408 -11.073 1.00 0.00 C ATOM 1135 O ARG A 606 -2.485 -7.131 -12.062 1.00 0.00 O ATOM 1136 CB ARG A 606 -3.576 -4.634 -12.354 1.00 0.00 C ATOM 1137 CG ARG A 606 -4.550 -3.469 -12.327 1.00 0.00 C ATOM 1138 CD ARG A 606 -4.993 -3.080 -13.729 1.00 0.00 C ATOM 1139 NE ARG A 606 -4.013 -2.225 -14.394 1.00 0.00 N ATOM 1140 CZ ARG A 606 -4.216 -1.656 -15.577 1.00 0.00 C ATOM 1141 NH1 ARG A 606 -5.359 -1.848 -16.221 1.00 0.00 N ATOM 1142 NH2 ARG A 606 -3.276 -0.892 -16.118 1.00 0.00 N ATOM 0 H ARG A 606 -2.697 -3.688 -9.469 1.00 0.00 H new ATOM 0 HA ARG A 606 -4.008 -5.253 -10.342 1.00 0.00 H new ATOM 0 HB2 ARG A 606 -2.698 -4.349 -12.934 1.00 0.00 H new ATOM 0 HB3 ARG A 606 -4.041 -5.473 -12.871 1.00 0.00 H new ATOM 0 HG2 ARG A 606 -5.422 -3.736 -11.730 1.00 0.00 H new ATOM 0 HG3 ARG A 606 -4.081 -2.613 -11.842 1.00 0.00 H new ATOM 0 HD2 ARG A 606 -5.151 -3.981 -14.323 1.00 0.00 H new ATOM 0 HD3 ARG A 606 -5.950 -2.561 -13.676 1.00 0.00 H new ATOM 0 HE ARG A 606 -3.124 -2.056 -13.924 1.00 0.00 H new ATOM 0 HH11 ARG A 606 -6.085 -2.434 -15.808 1.00 0.00 H new ATOM 0 HH12 ARG A 606 -5.512 -1.410 -17.129 1.00 0.00 H new ATOM 0 HH21 ARG A 606 -2.396 -0.741 -15.625 1.00 0.00 H new ATOM 0 HH22 ARG A 606 -3.434 -0.456 -17.026 1.00 0.00 H new ATOM 1156 N LYS A 607 -1.573 -6.712 -10.048 1.00 0.00 N ATOM 1157 CA LYS A 607 -0.787 -7.941 -10.026 1.00 0.00 C ATOM 1158 C LYS A 607 -1.628 -9.114 -9.535 1.00 0.00 C ATOM 1159 O LYS A 607 -2.815 -8.964 -9.245 1.00 0.00 O ATOM 1160 CB LYS A 607 0.442 -7.769 -9.132 1.00 0.00 C ATOM 1161 CG LYS A 607 1.657 -7.227 -9.864 1.00 0.00 C ATOM 1162 CD LYS A 607 2.254 -8.265 -10.798 1.00 0.00 C ATOM 1163 CE LYS A 607 2.922 -9.391 -10.024 1.00 0.00 C ATOM 1164 NZ LYS A 607 3.999 -8.886 -9.126 1.00 0.00 N ATOM 0 H LYS A 607 -1.460 -6.124 -9.222 1.00 0.00 H new ATOM 0 HA LYS A 607 -0.460 -8.153 -11.044 1.00 0.00 H new ATOM 0 HB2 LYS A 607 0.193 -7.096 -8.312 1.00 0.00 H new ATOM 0 HB3 LYS A 607 0.695 -8.732 -8.688 1.00 0.00 H new ATOM 0 HG2 LYS A 607 1.374 -6.342 -10.435 1.00 0.00 H new ATOM 0 HG3 LYS A 607 2.409 -6.912 -9.140 1.00 0.00 H new ATOM 0 HD2 LYS A 607 1.471 -8.675 -11.436 1.00 0.00 H new ATOM 0 HD3 LYS A 607 2.984 -7.790 -11.454 1.00 0.00 H new ATOM 0 HE2 LYS A 607 2.174 -9.918 -9.432 1.00 0.00 H new ATOM 0 HE3 LYS A 607 3.342 -10.113 -10.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 607 4.440 -9.686 -8.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 607 4.718 -8.390 -9.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 607 3.591 -8.229 -8.430 1.00 0.00 H new ATOM 1178 N LYS A 608 -1.004 -10.284 -9.440 1.00 0.00 N ATOM 1179 CA LYS A 608 -1.693 -11.484 -8.981 1.00 0.00 C ATOM 1180 C LYS A 608 -0.950 -12.123 -7.810 1.00 0.00 C ATOM 1181 O LYS A 608 0.037 -12.834 -8.002 1.00 0.00 O ATOM 1182 CB LYS A 608 -1.825 -12.491 -10.125 1.00 0.00 C ATOM 1183 CG LYS A 608 -2.404 -11.895 -11.396 1.00 0.00 C ATOM 1184 CD LYS A 608 -3.046 -12.960 -12.270 1.00 0.00 C ATOM 1185 CE LYS A 608 -3.532 -12.379 -13.589 1.00 0.00 C ATOM 1186 NZ LYS A 608 -3.860 -13.445 -14.577 1.00 0.00 N ATOM 0 H LYS A 608 -0.022 -10.426 -9.675 1.00 0.00 H new ATOM 0 HA LYS A 608 -2.688 -11.195 -8.644 1.00 0.00 H new ATOM 0 HB2 LYS A 608 -0.843 -12.909 -10.345 1.00 0.00 H new ATOM 0 HB3 LYS A 608 -2.458 -13.317 -9.800 1.00 0.00 H new ATOM 0 HG2 LYS A 608 -3.145 -11.138 -11.139 1.00 0.00 H new ATOM 0 HG3 LYS A 608 -1.615 -11.391 -11.955 1.00 0.00 H new ATOM 0 HD2 LYS A 608 -2.326 -13.755 -12.465 1.00 0.00 H new ATOM 0 HD3 LYS A 608 -3.884 -13.411 -11.739 1.00 0.00 H new ATOM 0 HE2 LYS A 608 -4.414 -11.764 -13.412 1.00 0.00 H new ATOM 0 HE3 LYS A 608 -2.765 -11.724 -14.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 608 -4.187 -13.009 -15.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 608 -3.012 -14.017 -14.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 608 -4.610 -14.055 -14.194 1.00 0.00 H new ATOM 1200 N LEU A 609 -1.433 -11.867 -6.599 1.00 0.00 N ATOM 1201 CA LEU A 609 -0.815 -12.418 -5.398 1.00 0.00 C ATOM 1202 C LEU A 609 -1.627 -13.593 -4.860 1.00 0.00 C ATOM 1203 O LEU A 609 -2.770 -13.428 -4.436 1.00 0.00 O ATOM 1204 CB LEU A 609 -0.688 -11.337 -4.324 1.00 0.00 C ATOM 1205 CG LEU A 609 0.278 -11.639 -3.178 1.00 0.00 C ATOM 1206 CD1 LEU A 609 0.073 -10.658 -2.034 1.00 0.00 C ATOM 1207 CD2 LEU A 609 0.100 -13.071 -2.695 1.00 0.00 C ATOM 0 H LEU A 609 -2.250 -11.282 -6.423 1.00 0.00 H new ATOM 0 HA LEU A 609 0.180 -12.777 -5.662 1.00 0.00 H new ATOM 0 HB2 LEU A 609 -0.372 -10.411 -4.805 1.00 0.00 H new ATOM 0 HB3 LEU A 609 -1.676 -11.155 -3.901 1.00 0.00 H new ATOM 0 HG LEU A 609 1.297 -11.525 -3.547 1.00 0.00 H new ATOM 0 HD11 LEU A 609 0.769 -10.889 -1.228 1.00 0.00 H new ATOM 0 HD12 LEU A 609 0.252 -9.643 -2.389 1.00 0.00 H new ATOM 0 HD13 LEU A 609 -0.949 -10.738 -1.665 1.00 0.00 H new ATOM 0 HD21 LEU A 609 0.795 -13.269 -1.879 1.00 0.00 H new ATOM 0 HD22 LEU A 609 -0.922 -13.212 -2.343 1.00 0.00 H new ATOM 0 HD23 LEU A 609 0.299 -13.759 -3.516 1.00 0.00 H new ATOM 1219 N ASN A 610 -1.026 -14.778 -4.876 1.00 0.00 N ATOM 1220 CA ASN A 610 -1.691 -15.980 -4.388 1.00 0.00 C ATOM 1221 C ASN A 610 -2.945 -16.278 -5.206 1.00 0.00 C ATOM 1222 O ASN A 610 -3.889 -16.890 -4.712 1.00 0.00 O ATOM 1223 CB ASN A 610 -2.059 -15.819 -2.912 1.00 0.00 C ATOM 1224 CG ASN A 610 -0.838 -15.771 -2.013 1.00 0.00 C ATOM 1225 OD1 ASN A 610 0.287 -15.982 -2.466 1.00 0.00 O ATOM 1226 ND2 ASN A 610 -1.056 -15.493 -0.733 1.00 0.00 N ATOM 0 H ASN A 610 -0.079 -14.931 -5.222 1.00 0.00 H new ATOM 0 HA ASN A 610 -1.001 -16.817 -4.495 1.00 0.00 H new ATOM 0 HB2 ASN A 610 -2.638 -14.905 -2.783 1.00 0.00 H new ATOM 0 HB3 ASN A 610 -2.699 -16.647 -2.607 1.00 0.00 H new ATOM 0 HD21 ASN A 610 -0.273 -15.447 -0.081 1.00 0.00 H new ATOM 0 HD22 ASN A 610 -2.006 -15.325 -0.402 1.00 0.00 H new ATOM 1233 N GLY A 611 -2.943 -15.840 -6.461 1.00 0.00 N ATOM 1234 CA GLY A 611 -4.084 -16.070 -7.329 1.00 0.00 C ATOM 1235 C GLY A 611 -5.189 -15.055 -7.115 1.00 0.00 C ATOM 1236 O GLY A 611 -6.324 -15.264 -7.541 1.00 0.00 O ATOM 0 H GLY A 611 -2.172 -15.330 -6.892 1.00 0.00 H new ATOM 0 HA2 GLY A 611 -3.759 -16.035 -8.369 1.00 0.00 H new ATOM 0 HA3 GLY A 611 -4.476 -17.072 -7.152 1.00 0.00 H new ATOM 1240 N ARG A 612 -4.856 -13.952 -6.452 1.00 0.00 N ATOM 1241 CA ARG A 612 -5.830 -12.901 -6.180 1.00 0.00 C ATOM 1242 C ARG A 612 -5.325 -11.550 -6.676 1.00 0.00 C ATOM 1243 O ARG A 612 -4.271 -11.076 -6.251 1.00 0.00 O ATOM 1244 CB ARG A 612 -6.126 -12.828 -4.681 1.00 0.00 C ATOM 1245 CG ARG A 612 -7.269 -13.729 -4.241 1.00 0.00 C ATOM 1246 CD ARG A 612 -7.417 -13.742 -2.728 1.00 0.00 C ATOM 1247 NE ARG A 612 -8.292 -14.819 -2.273 1.00 0.00 N ATOM 1248 CZ ARG A 612 -9.618 -14.765 -2.335 1.00 0.00 C ATOM 1249 NH1 ARG A 612 -10.218 -13.692 -2.832 1.00 0.00 N ATOM 1250 NH2 ARG A 612 -10.346 -15.785 -1.902 1.00 0.00 N ATOM 0 H ARG A 612 -3.920 -13.763 -6.094 1.00 0.00 H new ATOM 0 HA ARG A 612 -6.749 -13.144 -6.714 1.00 0.00 H new ATOM 0 HB2 ARG A 612 -5.227 -13.100 -4.128 1.00 0.00 H new ATOM 0 HB3 ARG A 612 -6.364 -11.798 -4.416 1.00 0.00 H new ATOM 0 HG2 ARG A 612 -8.199 -13.387 -4.696 1.00 0.00 H new ATOM 0 HG3 ARG A 612 -7.093 -14.743 -4.599 1.00 0.00 H new ATOM 0 HD2 ARG A 612 -6.435 -13.854 -2.269 1.00 0.00 H new ATOM 0 HD3 ARG A 612 -7.817 -12.784 -2.395 1.00 0.00 H new ATOM 0 HE ARG A 612 -7.861 -15.659 -1.886 1.00 0.00 H new ATOM 0 HH11 ARG A 612 -9.661 -12.906 -3.168 1.00 0.00 H new ATOM 0 HH12 ARG A 612 -11.236 -13.653 -2.879 1.00 0.00 H new ATOM 0 HH21 ARG A 612 -9.888 -16.613 -1.521 1.00 0.00 H new ATOM 0 HH22 ARG A 612 -11.364 -15.742 -1.950 1.00 0.00 H new ATOM 1264 N GLU A 613 -6.083 -10.935 -7.578 1.00 0.00 N ATOM 1265 CA GLU A 613 -5.711 -9.639 -8.133 1.00 0.00 C ATOM 1266 C GLU A 613 -5.437 -8.630 -7.021 1.00 0.00 C ATOM 1267 O GLU A 613 -6.303 -8.354 -6.193 1.00 0.00 O ATOM 1268 CB GLU A 613 -6.818 -9.115 -9.051 1.00 0.00 C ATOM 1269 CG GLU A 613 -7.034 -9.967 -10.291 1.00 0.00 C ATOM 1270 CD GLU A 613 -8.063 -9.373 -11.234 1.00 0.00 C ATOM 1271 OE1 GLU A 613 -9.164 -9.021 -10.763 1.00 0.00 O ATOM 1272 OE2 GLU A 613 -7.767 -9.262 -12.441 1.00 0.00 O ATOM 0 H GLU A 613 -6.958 -11.313 -7.940 1.00 0.00 H new ATOM 0 HA GLU A 613 -4.799 -9.770 -8.715 1.00 0.00 H new ATOM 0 HB2 GLU A 613 -7.750 -9.063 -8.489 1.00 0.00 H new ATOM 0 HB3 GLU A 613 -6.574 -8.098 -9.357 1.00 0.00 H new ATOM 0 HG2 GLU A 613 -6.087 -10.082 -10.818 1.00 0.00 H new ATOM 0 HG3 GLU A 613 -7.355 -10.965 -9.991 1.00 0.00 H new ATOM 1279 N ALA A 614 -4.226 -8.084 -7.012 1.00 0.00 N ATOM 1280 CA ALA A 614 -3.837 -7.105 -6.005 1.00 0.00 C ATOM 1281 C ALA A 614 -3.739 -5.707 -6.607 1.00 0.00 C ATOM 1282 O ALA A 614 -2.954 -5.470 -7.526 1.00 0.00 O ATOM 1283 CB ALA A 614 -2.514 -7.501 -5.366 1.00 0.00 C ATOM 0 H ALA A 614 -3.497 -8.303 -7.691 1.00 0.00 H new ATOM 0 HA ALA A 614 -4.608 -7.087 -5.235 1.00 0.00 H new ATOM 0 HB1 ALA A 614 -2.236 -6.761 -4.616 1.00 0.00 H new ATOM 0 HB2 ALA A 614 -2.617 -8.477 -4.892 1.00 0.00 H new ATOM 0 HB3 ALA A 614 -1.740 -7.550 -6.132 1.00 0.00 H new ATOM 1289 N PHE A 615 -4.538 -4.784 -6.083 1.00 0.00 N ATOM 1290 CA PHE A 615 -4.543 -3.411 -6.570 1.00 0.00 C ATOM 1291 C PHE A 615 -3.623 -2.532 -5.726 1.00 0.00 C ATOM 1292 O PHE A 615 -3.736 -2.494 -4.501 1.00 0.00 O ATOM 1293 CB PHE A 615 -5.965 -2.844 -6.553 1.00 0.00 C ATOM 1294 CG PHE A 615 -6.887 -3.511 -7.532 1.00 0.00 C ATOM 1295 CD1 PHE A 615 -7.615 -4.632 -7.167 1.00 0.00 C ATOM 1296 CD2 PHE A 615 -7.025 -3.019 -8.820 1.00 0.00 C ATOM 1297 CE1 PHE A 615 -8.465 -5.248 -8.066 1.00 0.00 C ATOM 1298 CE2 PHE A 615 -7.873 -3.630 -9.724 1.00 0.00 C ATOM 1299 CZ PHE A 615 -8.594 -4.747 -9.346 1.00 0.00 C ATOM 0 H PHE A 615 -5.191 -4.963 -5.320 1.00 0.00 H new ATOM 0 HA PHE A 615 -4.174 -3.415 -7.596 1.00 0.00 H new ATOM 0 HB2 PHE A 615 -6.377 -2.948 -5.549 1.00 0.00 H new ATOM 0 HB3 PHE A 615 -5.925 -1.777 -6.773 1.00 0.00 H new ATOM 0 HD1 PHE A 615 -7.517 -5.029 -6.168 1.00 0.00 H new ATOM 0 HD2 PHE A 615 -6.463 -2.147 -9.121 1.00 0.00 H new ATOM 0 HE1 PHE A 615 -9.028 -6.120 -7.768 1.00 0.00 H new ATOM 0 HE2 PHE A 615 -7.972 -3.235 -10.724 1.00 0.00 H new ATOM 0 HZ PHE A 615 -9.257 -5.227 -10.051 1.00 0.00 H new ATOM 1309 N VAL A 616 -2.715 -1.827 -6.392 1.00 0.00 N ATOM 1310 CA VAL A 616 -1.776 -0.947 -5.705 1.00 0.00 C ATOM 1311 C VAL A 616 -2.045 0.515 -6.041 1.00 0.00 C ATOM 1312 O VAL A 616 -1.812 0.958 -7.165 1.00 0.00 O ATOM 1313 CB VAL A 616 -0.319 -1.287 -6.072 1.00 0.00 C ATOM 1314 CG1 VAL A 616 0.647 -0.415 -5.284 1.00 0.00 C ATOM 1315 CG2 VAL A 616 -0.038 -2.762 -5.829 1.00 0.00 C ATOM 0 H VAL A 616 -2.609 -1.848 -7.406 1.00 0.00 H new ATOM 0 HA VAL A 616 -1.920 -1.103 -4.636 1.00 0.00 H new ATOM 0 HB VAL A 616 -0.173 -1.083 -7.133 1.00 0.00 H new ATOM 0 HG11 VAL A 616 1.671 -0.669 -5.556 1.00 0.00 H new ATOM 0 HG12 VAL A 616 0.460 0.634 -5.513 1.00 0.00 H new ATOM 0 HG13 VAL A 616 0.502 -0.584 -4.217 1.00 0.00 H new ATOM 0 HG21 VAL A 616 0.996 -2.984 -6.094 1.00 0.00 H new ATOM 0 HG22 VAL A 616 -0.201 -2.995 -4.777 1.00 0.00 H new ATOM 0 HG23 VAL A 616 -0.707 -3.366 -6.442 1.00 0.00 H new ATOM 1325 N HIS A 617 -2.538 1.261 -5.057 1.00 0.00 N ATOM 1326 CA HIS A 617 -2.839 2.675 -5.247 1.00 0.00 C ATOM 1327 C HIS A 617 -1.767 3.550 -4.606 1.00 0.00 C ATOM 1328 O HIS A 617 -1.255 3.236 -3.531 1.00 0.00 O ATOM 1329 CB HIS A 617 -4.209 3.011 -4.656 1.00 0.00 C ATOM 1330 CG HIS A 617 -5.354 2.448 -5.439 1.00 0.00 C ATOM 1331 ND1 HIS A 617 -5.629 1.097 -5.506 1.00 0.00 N ATOM 1332 CD2 HIS A 617 -6.300 3.060 -6.190 1.00 0.00 C ATOM 1333 CE1 HIS A 617 -6.692 0.904 -6.265 1.00 0.00 C ATOM 1334 NE2 HIS A 617 -7.119 2.079 -6.692 1.00 0.00 N ATOM 0 H HIS A 617 -2.737 0.910 -4.120 1.00 0.00 H new ATOM 0 HA HIS A 617 -2.855 2.877 -6.318 1.00 0.00 H new ATOM 0 HB2 HIS A 617 -4.257 2.633 -3.635 1.00 0.00 H new ATOM 0 HB3 HIS A 617 -4.316 4.094 -4.600 1.00 0.00 H new ATOM 0 HD2 HIS A 617 -6.393 4.122 -6.362 1.00 0.00 H new ATOM 0 HE1 HIS A 617 -7.137 -0.052 -6.497 1.00 0.00 H new ATOM 0 HE2 HIS A 617 -7.926 2.233 -7.296 1.00 0.00 H new ATOM 1342 N VAL A 618 -1.430 4.650 -5.273 1.00 0.00 N ATOM 1343 CA VAL A 618 -0.418 5.570 -4.769 1.00 0.00 C ATOM 1344 C VAL A 618 -1.061 6.758 -4.060 1.00 0.00 C ATOM 1345 O VAL A 618 -1.880 7.472 -4.639 1.00 0.00 O ATOM 1346 CB VAL A 618 0.483 6.090 -5.904 1.00 0.00 C ATOM 1347 CG1 VAL A 618 1.487 7.101 -5.368 1.00 0.00 C ATOM 1348 CG2 VAL A 618 1.193 4.934 -6.591 1.00 0.00 C ATOM 0 H VAL A 618 -1.844 4.925 -6.164 1.00 0.00 H new ATOM 0 HA VAL A 618 0.192 5.012 -4.058 1.00 0.00 H new ATOM 0 HB VAL A 618 -0.143 6.592 -6.642 1.00 0.00 H new ATOM 0 HG11 VAL A 618 2.115 7.458 -6.184 1.00 0.00 H new ATOM 0 HG12 VAL A 618 0.955 7.943 -4.925 1.00 0.00 H new ATOM 0 HG13 VAL A 618 2.111 6.627 -4.610 1.00 0.00 H new ATOM 0 HG21 VAL A 618 1.826 5.319 -7.391 1.00 0.00 H new ATOM 0 HG22 VAL A 618 1.809 4.402 -5.865 1.00 0.00 H new ATOM 0 HG23 VAL A 618 0.454 4.251 -7.010 1.00 0.00 H new ATOM 1358 N VAL A 619 -0.684 6.965 -2.802 1.00 0.00 N ATOM 1359 CA VAL A 619 -1.221 8.068 -2.015 1.00 0.00 C ATOM 1360 C VAL A 619 -0.120 8.769 -1.227 1.00 0.00 C ATOM 1361 O VAL A 619 1.022 8.307 -1.187 1.00 0.00 O ATOM 1362 CB VAL A 619 -2.306 7.581 -1.036 1.00 0.00 C ATOM 1363 CG1 VAL A 619 -3.496 7.015 -1.797 1.00 0.00 C ATOM 1364 CG2 VAL A 619 -1.734 6.547 -0.078 1.00 0.00 C ATOM 0 H VAL A 619 -0.009 6.383 -2.306 1.00 0.00 H new ATOM 0 HA VAL A 619 -1.665 8.772 -2.719 1.00 0.00 H new ATOM 0 HB VAL A 619 -2.652 8.433 -0.450 1.00 0.00 H new ATOM 0 HG11 VAL A 619 -4.253 6.676 -1.089 1.00 0.00 H new ATOM 0 HG12 VAL A 619 -3.919 7.788 -2.438 1.00 0.00 H new ATOM 0 HG13 VAL A 619 -3.170 6.175 -2.410 1.00 0.00 H new ATOM 0 HG21 VAL A 619 -2.514 6.214 0.606 1.00 0.00 H new ATOM 0 HG22 VAL A 619 -1.360 5.694 -0.644 1.00 0.00 H new ATOM 0 HG23 VAL A 619 -0.917 6.991 0.491 1.00 0.00 H new ATOM 1374 N THR A 620 -0.468 9.887 -0.600 1.00 0.00 N ATOM 1375 CA THR A 620 0.490 10.653 0.188 1.00 0.00 C ATOM 1376 C THR A 620 0.387 10.308 1.668 1.00 0.00 C ATOM 1377 O THR A 620 -0.683 9.944 2.159 1.00 0.00 O ATOM 1378 CB THR A 620 0.280 12.168 0.010 1.00 0.00 C ATOM 1379 OG1 THR A 620 -1.030 12.536 0.458 1.00 0.00 O ATOM 1380 CG2 THR A 620 0.455 12.573 -1.446 1.00 0.00 C ATOM 0 H THR A 620 -1.408 10.283 -0.622 1.00 0.00 H new ATOM 0 HA THR A 620 1.482 10.386 -0.176 1.00 0.00 H new ATOM 0 HB THR A 620 1.029 12.688 0.607 1.00 0.00 H new ATOM 0 HG1 THR A 620 -1.701 12.156 -0.147 1.00 0.00 H new ATOM 0 HG21 THR A 620 0.302 13.648 -1.546 1.00 0.00 H new ATOM 0 HG22 THR A 620 1.462 12.318 -1.776 1.00 0.00 H new ATOM 0 HG23 THR A 620 -0.273 12.044 -2.061 1.00 0.00 H new ATOM 1388 N LEU A 621 1.504 10.423 2.378 1.00 0.00 N ATOM 1389 CA LEU A 621 1.540 10.123 3.805 1.00 0.00 C ATOM 1390 C LEU A 621 0.262 10.593 4.492 1.00 0.00 C ATOM 1391 O LEU A 621 -0.445 9.802 5.116 1.00 0.00 O ATOM 1392 CB LEU A 621 2.756 10.786 4.455 1.00 0.00 C ATOM 1393 CG LEU A 621 2.935 10.536 5.953 1.00 0.00 C ATOM 1394 CD1 LEU A 621 2.697 9.070 6.282 1.00 0.00 C ATOM 1395 CD2 LEU A 621 4.323 10.967 6.403 1.00 0.00 C ATOM 0 H LEU A 621 2.398 10.722 1.988 1.00 0.00 H new ATOM 0 HA LEU A 621 1.617 9.042 3.923 1.00 0.00 H new ATOM 0 HB2 LEU A 621 3.652 10.441 3.940 1.00 0.00 H new ATOM 0 HB3 LEU A 621 2.689 11.862 4.292 1.00 0.00 H new ATOM 0 HG LEU A 621 2.199 11.132 6.492 1.00 0.00 H new ATOM 0 HD11 LEU A 621 2.829 8.911 7.352 1.00 0.00 H new ATOM 0 HD12 LEU A 621 1.682 8.793 5.996 1.00 0.00 H new ATOM 0 HD13 LEU A 621 3.409 8.454 5.733 1.00 0.00 H new ATOM 0 HD21 LEU A 621 4.433 10.782 7.472 1.00 0.00 H new ATOM 0 HD22 LEU A 621 5.076 10.398 5.857 1.00 0.00 H new ATOM 0 HD23 LEU A 621 4.456 12.030 6.203 1.00 0.00 H new ATOM 1407 N GLU A 622 -0.029 11.884 4.370 1.00 0.00 N ATOM 1408 CA GLU A 622 -1.223 12.458 4.978 1.00 0.00 C ATOM 1409 C GLU A 622 -2.450 11.600 4.684 1.00 0.00 C ATOM 1410 O GLU A 622 -3.289 11.379 5.557 1.00 0.00 O ATOM 1411 CB GLU A 622 -1.450 13.882 4.466 1.00 0.00 C ATOM 1412 CG GLU A 622 -1.391 14.002 2.953 1.00 0.00 C ATOM 1413 CD GLU A 622 -1.169 15.428 2.488 1.00 0.00 C ATOM 1414 OE1 GLU A 622 -0.159 16.036 2.899 1.00 0.00 O ATOM 1415 OE2 GLU A 622 -2.007 15.937 1.714 1.00 0.00 O ATOM 0 H GLU A 622 0.546 12.552 3.856 1.00 0.00 H new ATOM 0 HA GLU A 622 -1.071 12.487 6.057 1.00 0.00 H new ATOM 0 HB2 GLU A 622 -2.422 14.233 4.812 1.00 0.00 H new ATOM 0 HB3 GLU A 622 -0.699 14.540 4.904 1.00 0.00 H new ATOM 0 HG2 GLU A 622 -0.587 13.371 2.574 1.00 0.00 H new ATOM 0 HG3 GLU A 622 -2.321 13.625 2.526 1.00 0.00 H new ATOM 1422 N ASP A 623 -2.547 11.121 3.449 1.00 0.00 N ATOM 1423 CA ASP A 623 -3.671 10.287 3.039 1.00 0.00 C ATOM 1424 C ASP A 623 -3.560 8.891 3.645 1.00 0.00 C ATOM 1425 O ASP A 623 -4.549 8.326 4.111 1.00 0.00 O ATOM 1426 CB ASP A 623 -3.732 10.190 1.514 1.00 0.00 C ATOM 1427 CG ASP A 623 -4.366 11.413 0.881 1.00 0.00 C ATOM 1428 OD1 ASP A 623 -5.497 11.767 1.277 1.00 0.00 O ATOM 1429 OD2 ASP A 623 -3.731 12.017 -0.008 1.00 0.00 O ATOM 0 H ASP A 623 -1.861 11.296 2.714 1.00 0.00 H new ATOM 0 HA ASP A 623 -4.588 10.751 3.403 1.00 0.00 H new ATOM 0 HB2 ASP A 623 -2.724 10.062 1.120 1.00 0.00 H new ATOM 0 HB3 ASP A 623 -4.299 9.303 1.232 1.00 0.00 H new ATOM 1434 N MET A 624 -2.350 8.340 3.634 1.00 0.00 N ATOM 1435 CA MET A 624 -2.112 7.010 4.183 1.00 0.00 C ATOM 1436 C MET A 624 -2.477 6.959 5.664 1.00 0.00 C ATOM 1437 O MET A 624 -3.027 5.968 6.143 1.00 0.00 O ATOM 1438 CB MET A 624 -0.647 6.612 3.993 1.00 0.00 C ATOM 1439 CG MET A 624 -0.239 5.390 4.800 1.00 0.00 C ATOM 1440 SD MET A 624 1.544 5.125 4.806 1.00 0.00 S ATOM 1441 CE MET A 624 1.853 4.943 6.561 1.00 0.00 C ATOM 0 H MET A 624 -1.520 8.793 3.251 1.00 0.00 H new ATOM 0 HA MET A 624 -2.746 6.304 3.647 1.00 0.00 H new ATOM 0 HB2 MET A 624 -0.467 6.416 2.936 1.00 0.00 H new ATOM 0 HB3 MET A 624 -0.012 7.452 4.274 1.00 0.00 H new ATOM 0 HG2 MET A 624 -0.589 5.504 5.826 1.00 0.00 H new ATOM 0 HG3 MET A 624 -0.732 4.508 4.391 1.00 0.00 H new ATOM 0 HE1 MET A 624 2.911 5.110 6.763 1.00 0.00 H new ATOM 0 HE2 MET A 624 1.259 5.672 7.113 1.00 0.00 H new ATOM 0 HE3 MET A 624 1.577 3.937 6.877 1.00 0.00 H new ATOM 1451 N ARG A 625 -2.165 8.034 6.382 1.00 0.00 N ATOM 1452 CA ARG A 625 -2.458 8.110 7.808 1.00 0.00 C ATOM 1453 C ARG A 625 -3.964 8.074 8.055 1.00 0.00 C ATOM 1454 O ARG A 625 -4.434 7.415 8.981 1.00 0.00 O ATOM 1455 CB ARG A 625 -1.863 9.387 8.405 1.00 0.00 C ATOM 1456 CG ARG A 625 -1.586 9.289 9.896 1.00 0.00 C ATOM 1457 CD ARG A 625 -0.422 10.178 10.306 1.00 0.00 C ATOM 1458 NE ARG A 625 -0.170 10.122 11.743 1.00 0.00 N ATOM 1459 CZ ARG A 625 0.531 11.038 12.403 1.00 0.00 C ATOM 1460 NH1 ARG A 625 1.045 12.076 11.757 1.00 0.00 N ATOM 1461 NH2 ARG A 625 0.716 10.918 13.711 1.00 0.00 N ATOM 0 H ARG A 625 -1.710 8.863 6.000 1.00 0.00 H new ATOM 0 HA ARG A 625 -2.006 7.245 8.294 1.00 0.00 H new ATOM 0 HB2 ARG A 625 -0.934 9.622 7.886 1.00 0.00 H new ATOM 0 HB3 ARG A 625 -2.548 10.216 8.225 1.00 0.00 H new ATOM 0 HG2 ARG A 625 -2.478 9.576 10.453 1.00 0.00 H new ATOM 0 HG3 ARG A 625 -1.365 8.254 10.159 1.00 0.00 H new ATOM 0 HD2 ARG A 625 0.475 9.871 9.768 1.00 0.00 H new ATOM 0 HD3 ARG A 625 -0.632 11.207 10.015 1.00 0.00 H new ATOM 0 HE ARG A 625 -0.553 9.337 12.269 1.00 0.00 H new ATOM 0 HH11 ARG A 625 0.903 12.172 10.752 1.00 0.00 H new ATOM 0 HH12 ARG A 625 1.583 12.778 12.266 1.00 0.00 H new ATOM 0 HH21 ARG A 625 0.320 10.122 14.211 1.00 0.00 H new ATOM 0 HH22 ARG A 625 1.254 11.622 14.217 1.00 0.00 H new ATOM 1475 N GLU A 626 -4.712 8.789 7.222 1.00 0.00 N ATOM 1476 CA GLU A 626 -6.165 8.841 7.352 1.00 0.00 C ATOM 1477 C GLU A 626 -6.784 7.474 7.074 1.00 0.00 C ATOM 1478 O GLU A 626 -7.867 7.160 7.567 1.00 0.00 O ATOM 1479 CB GLU A 626 -6.748 9.882 6.396 1.00 0.00 C ATOM 1480 CG GLU A 626 -6.433 11.316 6.791 1.00 0.00 C ATOM 1481 CD GLU A 626 -6.910 11.654 8.189 1.00 0.00 C ATOM 1482 OE1 GLU A 626 -8.132 11.576 8.434 1.00 0.00 O ATOM 1483 OE2 GLU A 626 -6.061 11.997 9.040 1.00 0.00 O ATOM 0 H GLU A 626 -4.337 9.340 6.450 1.00 0.00 H new ATOM 0 HA GLU A 626 -6.403 9.127 8.376 1.00 0.00 H new ATOM 0 HB2 GLU A 626 -6.363 9.698 5.393 1.00 0.00 H new ATOM 0 HB3 GLU A 626 -7.830 9.756 6.351 1.00 0.00 H new ATOM 0 HG2 GLU A 626 -5.357 11.478 6.729 1.00 0.00 H new ATOM 0 HG3 GLU A 626 -6.899 11.996 6.078 1.00 0.00 H new ATOM 1490 N ILE A 627 -6.088 6.667 6.280 1.00 0.00 N ATOM 1491 CA ILE A 627 -6.569 5.335 5.934 1.00 0.00 C ATOM 1492 C ILE A 627 -6.405 4.371 7.105 1.00 0.00 C ATOM 1493 O ILE A 627 -7.267 3.530 7.355 1.00 0.00 O ATOM 1494 CB ILE A 627 -5.827 4.768 4.710 1.00 0.00 C ATOM 1495 CG1 ILE A 627 -6.091 5.638 3.480 1.00 0.00 C ATOM 1496 CG2 ILE A 627 -6.254 3.330 4.451 1.00 0.00 C ATOM 1497 CD1 ILE A 627 -5.148 5.361 2.330 1.00 0.00 C ATOM 0 H ILE A 627 -5.189 6.912 5.864 1.00 0.00 H new ATOM 0 HA ILE A 627 -7.627 5.435 5.692 1.00 0.00 H new ATOM 0 HB ILE A 627 -4.757 4.777 4.915 1.00 0.00 H new ATOM 0 HG12 ILE A 627 -7.116 5.478 3.145 1.00 0.00 H new ATOM 0 HG13 ILE A 627 -6.008 6.687 3.763 1.00 0.00 H new ATOM 0 HG21 ILE A 627 -5.721 2.943 3.583 1.00 0.00 H new ATOM 0 HG22 ILE A 627 -6.020 2.718 5.323 1.00 0.00 H new ATOM 0 HG23 ILE A 627 -7.327 3.297 4.262 1.00 0.00 H new ATOM 0 HD11 ILE A 627 -5.394 6.014 1.493 1.00 0.00 H new ATOM 0 HD12 ILE A 627 -4.122 5.549 2.647 1.00 0.00 H new ATOM 0 HD13 ILE A 627 -5.248 4.321 2.020 1.00 0.00 H new ATOM 1509 N GLU A 628 -5.293 4.503 7.822 1.00 0.00 N ATOM 1510 CA GLU A 628 -5.017 3.645 8.968 1.00 0.00 C ATOM 1511 C GLU A 628 -5.961 3.959 10.124 1.00 0.00 C ATOM 1512 O GLU A 628 -6.601 3.065 10.680 1.00 0.00 O ATOM 1513 CB GLU A 628 -3.564 3.812 9.421 1.00 0.00 C ATOM 1514 CG GLU A 628 -3.022 2.615 10.182 1.00 0.00 C ATOM 1515 CD GLU A 628 -1.901 2.986 11.132 1.00 0.00 C ATOM 1516 OE1 GLU A 628 -1.998 4.050 11.779 1.00 0.00 O ATOM 1517 OE2 GLU A 628 -0.925 2.212 11.229 1.00 0.00 O ATOM 0 H GLU A 628 -4.569 5.196 7.629 1.00 0.00 H new ATOM 0 HA GLU A 628 -5.178 2.611 8.662 1.00 0.00 H new ATOM 0 HB2 GLU A 628 -2.938 3.990 8.547 1.00 0.00 H new ATOM 0 HB3 GLU A 628 -3.489 4.697 10.052 1.00 0.00 H new ATOM 0 HG2 GLU A 628 -3.831 2.151 10.745 1.00 0.00 H new ATOM 0 HG3 GLU A 628 -2.660 1.871 9.472 1.00 0.00 H new ATOM 1524 N LYS A 629 -6.043 5.236 10.482 1.00 0.00 N ATOM 1525 CA LYS A 629 -6.910 5.671 11.570 1.00 0.00 C ATOM 1526 C LYS A 629 -8.358 5.273 11.306 1.00 0.00 C ATOM 1527 O LYS A 629 -9.041 4.757 12.190 1.00 0.00 O ATOM 1528 CB LYS A 629 -6.812 7.188 11.753 1.00 0.00 C ATOM 1529 CG LYS A 629 -7.583 7.977 10.709 1.00 0.00 C ATOM 1530 CD LYS A 629 -7.510 9.471 10.974 1.00 0.00 C ATOM 1531 CE LYS A 629 -8.610 9.924 11.921 1.00 0.00 C ATOM 1532 NZ LYS A 629 -9.950 9.883 11.273 1.00 0.00 N ATOM 0 H LYS A 629 -5.519 5.988 10.034 1.00 0.00 H new ATOM 0 HA LYS A 629 -6.578 5.178 12.484 1.00 0.00 H new ATOM 0 HB2 LYS A 629 -7.184 7.451 12.743 1.00 0.00 H new ATOM 0 HB3 LYS A 629 -5.763 7.483 11.718 1.00 0.00 H new ATOM 0 HG2 LYS A 629 -7.181 7.762 9.719 1.00 0.00 H new ATOM 0 HG3 LYS A 629 -8.625 7.657 10.706 1.00 0.00 H new ATOM 0 HD2 LYS A 629 -6.538 9.719 11.399 1.00 0.00 H new ATOM 0 HD3 LYS A 629 -7.593 10.013 10.032 1.00 0.00 H new ATOM 0 HE2 LYS A 629 -8.614 9.286 12.805 1.00 0.00 H new ATOM 0 HE3 LYS A 629 -8.402 10.938 12.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 629 -10.612 10.482 11.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 629 -9.875 10.234 10.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 629 -10.301 8.904 11.263 1.00 0.00 H new