USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1016 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 624 MET CE :methyl -163:sc= -0.455 (180deg=-1.23) USER MOD Set 1.2: A 644 TYR OH : rot 180:sc= -0.0662 USER MOD Set 2.1: A 550 CYS SG : rot 177:sc= 0.311 USER MOD Set 2.2: A 612 THR OG1 : rot -106:sc= 0.188 USER MOD Set 3.1: A 536 MET CE :methyl 141:sc= -0.684 (180deg=-0.518) USER MOD Set 3.2: A 547 MET CE :methyl -161:sc= -0.137 (180deg=0) USER MOD Set 3.3: A 606 MET CE :methyl -161:sc= 0 (180deg=0) USER MOD Single : A 528 THR OG1 : rot -146:sc= 0.358 USER MOD Single : A 530 SER OG : rot 180:sc= 0.0371 USER MOD Single : A 532 ASN : amide:sc= -0.142 K(o=-0.14,f=-8.9!) USER MOD Single : A 539 HIS : no HE2:sc= 0.0193 K(o=0.019,f=-3.3!) USER MOD Single : A 543 THR OG1 : rot -79:sc= 1.22 USER MOD Single : A 545 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 551 MET CE :methyl 176:sc= -0.291 (180deg=-0.382) USER MOD Single : A 557 MET CE :methyl -163:sc= -2.7 (180deg=-3.92!) USER MOD Single : A 559 THR OG1 : rot 180:sc= 0 USER MOD Single : A 561 GLN :FLIP amide:sc= -1.78 F(o=-2.7,f=-1.8) USER MOD Single : A 563 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0014) USER MOD Single : A 564 TYR OH : rot -140:sc= 0.81 USER MOD Single : A 565 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 568 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 570 GLN : amide:sc= -8.52! C(o=-8.5!,f=-9!) USER MOD Single : A 576 TYR OH : rot 167:sc= 0.267 USER MOD Single : A 583 TYR OH : rot 16:sc= -1.59 USER MOD Single : A 584 THR OG1 : rot 180:sc= 0.00182 USER MOD Single : A 585 SER OG : rot 153:sc= 0.66 USER MOD Single : A 586 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 591 SER OG : rot 180:sc= 0 USER MOD Single : A 594 THR OG1 : rot 180:sc= 0 USER MOD Single : A 595 LYS NZ :NH3+ -152:sc= 1 (180deg=0.0617!) USER MOD Single : A 597 ASN : amide:sc= -3.88 K(o=-3.9,f=-4.7!) USER MOD Single : A 598 SER OG : rot 180:sc= 0 USER MOD Single : A 600 ASN : amide:sc= 0.0803 K(o=0.08,f=-0.71) USER MOD Single : A 605 THR OG1 : rot 110:sc= -0.436 USER MOD Single : A 610 TYR OH : rot 180:sc= 0 USER MOD Single : A 613 HIS : no HE2:sc= 0.369 K(o=0.37,f=-3.1!) USER MOD Single : A 616 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 623 CYS SG : rot -110:sc= -0.0555 USER MOD Single : A 626 SER OG : rot 180:sc= 0 USER MOD Single : A 628 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 634 SER OG : rot -163:sc= 0.659 USER MOD Single : A 636 SER OG : rot 180:sc= 0 USER MOD Single : A 637 SER OG : rot 180:sc= 0 USER MOD Single : A 642 THR OG1 : rot 180:sc= 0 USER MOD Single : A 643 THR OG1 : rot 82:sc= 1.32 USER MOD Single : A 645 ASN : amide:sc= 0.692 K(o=0.69,f=0) USER MOD Single : A 647 TYR OH : rot 180:sc= 0 USER MOD Single : A 649 THR OG1 : rot 81:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 214 N GLU A 524 -0.339 16.769 -6.365 1.00 0.00 N ATOM 215 CA GLU A 524 -0.073 15.486 -5.721 1.00 0.00 C ATOM 216 C GLU A 524 1.166 15.622 -4.837 1.00 0.00 C ATOM 217 O GLU A 524 1.876 16.629 -4.902 1.00 0.00 O ATOM 218 CB GLU A 524 0.093 14.325 -6.718 1.00 0.00 C ATOM 219 CG GLU A 524 1.209 14.501 -7.752 1.00 0.00 C ATOM 220 CD GLU A 524 1.264 13.269 -8.650 1.00 0.00 C ATOM 221 OE1 GLU A 524 1.876 12.251 -8.245 1.00 0.00 O ATOM 222 OE2 GLU A 524 0.640 13.278 -9.738 1.00 0.00 O ATOM 0 HA GLU A 524 -0.945 15.233 -5.117 1.00 0.00 H new ATOM 0 HB2 GLU A 524 0.283 13.410 -6.156 1.00 0.00 H new ATOM 0 HB3 GLU A 524 -0.850 14.185 -7.247 1.00 0.00 H new ATOM 0 HG2 GLU A 524 1.028 15.394 -8.351 1.00 0.00 H new ATOM 0 HG3 GLU A 524 2.166 14.642 -7.250 1.00 0.00 H new ATOM 229 N ILE A 525 1.399 14.589 -4.028 1.00 0.00 N ATOM 230 CA ILE A 525 2.496 14.407 -3.096 1.00 0.00 C ATOM 231 C ILE A 525 3.284 13.195 -3.570 1.00 0.00 C ATOM 232 O ILE A 525 2.752 12.328 -4.273 1.00 0.00 O ATOM 233 CB ILE A 525 1.991 14.164 -1.660 1.00 0.00 C ATOM 234 CG1 ILE A 525 0.666 14.891 -1.381 1.00 0.00 C ATOM 235 CG2 ILE A 525 3.052 14.589 -0.626 1.00 0.00 C ATOM 236 CD1 ILE A 525 -0.560 14.036 -1.698 1.00 0.00 C ATOM 0 H ILE A 525 0.764 13.791 -4.012 1.00 0.00 H new ATOM 0 HA ILE A 525 3.110 15.307 -3.072 1.00 0.00 H new ATOM 0 HB ILE A 525 1.809 13.093 -1.567 1.00 0.00 H new ATOM 0 HG12 ILE A 525 0.634 15.188 -0.333 1.00 0.00 H new ATOM 0 HG13 ILE A 525 0.628 15.806 -1.973 1.00 0.00 H new ATOM 0 HG21 ILE A 525 2.673 14.408 0.380 1.00 0.00 H new ATOM 0 HG22 ILE A 525 3.963 14.010 -0.780 1.00 0.00 H new ATOM 0 HG23 ILE A 525 3.272 15.650 -0.745 1.00 0.00 H new ATOM 0 HD11 ILE A 525 -1.465 14.603 -1.481 1.00 0.00 H new ATOM 0 HD12 ILE A 525 -0.549 13.761 -2.753 1.00 0.00 H new ATOM 0 HD13 ILE A 525 -0.542 13.133 -1.087 1.00 0.00 H new ATOM 248 N LEU A 526 4.515 13.107 -3.090 1.00 0.00 N ATOM 249 CA LEU A 526 5.428 12.007 -3.322 1.00 0.00 C ATOM 250 C LEU A 526 6.321 11.824 -2.086 1.00 0.00 C ATOM 251 O LEU A 526 6.191 12.559 -1.101 1.00 0.00 O ATOM 252 CB LEU A 526 6.221 12.273 -4.608 1.00 0.00 C ATOM 253 CG LEU A 526 6.571 10.954 -5.326 1.00 0.00 C ATOM 254 CD1 LEU A 526 5.366 10.434 -6.116 1.00 0.00 C ATOM 255 CD2 LEU A 526 7.757 11.153 -6.261 1.00 0.00 C ATOM 0 H LEU A 526 4.920 13.836 -2.502 1.00 0.00 H new ATOM 0 HA LEU A 526 4.890 11.071 -3.468 1.00 0.00 H new ATOM 0 HB2 LEU A 526 5.638 12.910 -5.274 1.00 0.00 H new ATOM 0 HB3 LEU A 526 7.136 12.815 -4.369 1.00 0.00 H new ATOM 0 HG LEU A 526 6.839 10.217 -4.569 1.00 0.00 H new ATOM 0 HD11 LEU A 526 5.633 9.503 -6.616 1.00 0.00 H new ATOM 0 HD12 LEU A 526 4.534 10.255 -5.435 1.00 0.00 H new ATOM 0 HD13 LEU A 526 5.072 11.174 -6.861 1.00 0.00 H new ATOM 0 HD21 LEU A 526 7.990 10.212 -6.759 1.00 0.00 H new ATOM 0 HD22 LEU A 526 7.509 11.907 -7.008 1.00 0.00 H new ATOM 0 HD23 LEU A 526 8.622 11.483 -5.686 1.00 0.00 H new ATOM 267 N GLY A 527 7.230 10.850 -2.138 1.00 0.00 N ATOM 268 CA GLY A 527 8.245 10.633 -1.123 1.00 0.00 C ATOM 269 C GLY A 527 7.762 9.714 -0.012 1.00 0.00 C ATOM 270 O GLY A 527 6.698 9.091 -0.101 1.00 0.00 O ATOM 0 H GLY A 527 7.277 10.180 -2.905 1.00 0.00 H new ATOM 0 HA2 GLY A 527 9.133 10.204 -1.586 1.00 0.00 H new ATOM 0 HA3 GLY A 527 8.540 11.592 -0.696 1.00 0.00 H new ATOM 274 N THR A 528 8.584 9.590 1.028 1.00 0.00 N ATOM 275 CA THR A 528 8.219 8.895 2.248 1.00 0.00 C ATOM 276 C THR A 528 7.587 9.907 3.212 1.00 0.00 C ATOM 277 O THR A 528 8.070 11.039 3.335 1.00 0.00 O ATOM 278 CB THR A 528 9.441 8.170 2.835 1.00 0.00 C ATOM 279 OG1 THR A 528 10.181 7.556 1.790 1.00 0.00 O ATOM 280 CG2 THR A 528 9.024 7.080 3.828 1.00 0.00 C ATOM 0 H THR A 528 9.529 9.974 1.042 1.00 0.00 H new ATOM 0 HA THR A 528 7.480 8.118 2.051 1.00 0.00 H new ATOM 0 HB THR A 528 10.045 8.914 3.355 1.00 0.00 H new ATOM 0 HG1 THR A 528 10.571 6.717 2.114 1.00 0.00 H new ATOM 0 HG21 THR A 528 9.913 6.588 4.223 1.00 0.00 H new ATOM 0 HG22 THR A 528 8.463 7.530 4.648 1.00 0.00 H new ATOM 0 HG23 THR A 528 8.398 6.346 3.321 1.00 0.00 H new ATOM 288 N VAL A 529 6.510 9.501 3.883 1.00 0.00 N ATOM 289 CA VAL A 529 5.661 10.359 4.702 1.00 0.00 C ATOM 290 C VAL A 529 5.257 9.618 5.985 1.00 0.00 C ATOM 291 O VAL A 529 5.252 8.382 6.019 1.00 0.00 O ATOM 292 CB VAL A 529 4.439 10.804 3.862 1.00 0.00 C ATOM 293 CG1 VAL A 529 4.820 11.794 2.751 1.00 0.00 C ATOM 294 CG2 VAL A 529 3.705 9.636 3.182 1.00 0.00 C ATOM 0 H VAL A 529 6.195 8.531 3.869 1.00 0.00 H new ATOM 0 HA VAL A 529 6.199 11.256 5.009 1.00 0.00 H new ATOM 0 HB VAL A 529 3.782 11.276 4.593 1.00 0.00 H new ATOM 0 HG11 VAL A 529 3.927 12.074 2.192 1.00 0.00 H new ATOM 0 HG12 VAL A 529 5.265 12.685 3.194 1.00 0.00 H new ATOM 0 HG13 VAL A 529 5.538 11.326 2.077 1.00 0.00 H new ATOM 0 HG21 VAL A 529 2.860 10.020 2.611 1.00 0.00 H new ATOM 0 HG22 VAL A 529 4.390 9.117 2.512 1.00 0.00 H new ATOM 0 HG23 VAL A 529 3.344 8.942 3.941 1.00 0.00 H new ATOM 304 N SER A 530 4.906 10.349 7.049 1.00 0.00 N ATOM 305 CA SER A 530 4.564 9.795 8.360 1.00 0.00 C ATOM 306 C SER A 530 3.065 9.501 8.403 1.00 0.00 C ATOM 307 O SER A 530 2.306 10.033 9.218 1.00 0.00 O ATOM 308 CB SER A 530 5.053 10.730 9.478 1.00 0.00 C ATOM 309 OG SER A 530 5.082 12.093 9.085 1.00 0.00 O ATOM 0 H SER A 530 4.851 11.367 7.019 1.00 0.00 H new ATOM 0 HA SER A 530 5.076 8.847 8.527 1.00 0.00 H new ATOM 0 HB2 SER A 530 4.403 10.621 10.346 1.00 0.00 H new ATOM 0 HB3 SER A 530 6.052 10.425 9.788 1.00 0.00 H new ATOM 0 HG SER A 530 5.398 12.642 9.832 1.00 0.00 H new ATOM 315 N TRP A 531 2.615 8.692 7.451 1.00 0.00 N ATOM 316 CA TRP A 531 1.253 8.232 7.330 1.00 0.00 C ATOM 317 C TRP A 531 1.190 6.863 8.040 1.00 0.00 C ATOM 318 O TRP A 531 1.942 6.621 8.987 1.00 0.00 O ATOM 319 CB TRP A 531 0.824 8.323 5.854 1.00 0.00 C ATOM 320 CG TRP A 531 0.833 9.688 5.205 1.00 0.00 C ATOM 321 CD1 TRP A 531 1.184 10.867 5.781 1.00 0.00 C ATOM 322 CD2 TRP A 531 0.496 10.030 3.819 1.00 0.00 C ATOM 323 NE1 TRP A 531 1.077 11.893 4.864 1.00 0.00 N ATOM 324 CE2 TRP A 531 0.691 11.430 3.631 1.00 0.00 C ATOM 325 CE3 TRP A 531 0.117 9.294 2.673 1.00 0.00 C ATOM 326 CZ2 TRP A 531 0.540 12.057 2.387 1.00 0.00 C ATOM 327 CZ3 TRP A 531 -0.107 9.922 1.433 1.00 0.00 C ATOM 328 CH2 TRP A 531 0.122 11.298 1.285 1.00 0.00 C ATOM 0 H TRP A 531 3.221 8.328 6.716 1.00 0.00 H new ATOM 0 HA TRP A 531 0.502 8.844 7.829 1.00 0.00 H new ATOM 0 HB2 TRP A 531 1.477 7.671 5.274 1.00 0.00 H new ATOM 0 HB3 TRP A 531 -0.185 7.919 5.772 1.00 0.00 H new ATOM 0 HD1 TRP A 531 1.501 10.984 6.807 1.00 0.00 H new ATOM 0 HE1 TRP A 531 1.262 12.873 5.076 1.00 0.00 H new ATOM 0 HE3 TRP A 531 -0.004 8.224 2.751 1.00 0.00 H new ATOM 0 HZ2 TRP A 531 0.743 13.112 2.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 531 -0.457 9.342 0.592 1.00 0.00 H new ATOM 0 HH2 TRP A 531 -0.023 11.771 0.325 1.00 0.00 H new ATOM 339 N ASN A 532 0.204 6.021 7.734 1.00 0.00 N ATOM 340 CA ASN A 532 -0.347 5.035 8.686 1.00 0.00 C ATOM 341 C ASN A 532 -1.297 4.070 7.956 1.00 0.00 C ATOM 342 O ASN A 532 -0.809 3.263 7.159 1.00 0.00 O ATOM 343 CB ASN A 532 -1.001 5.786 9.863 1.00 0.00 C ATOM 344 CG ASN A 532 -1.671 7.065 9.398 1.00 0.00 C ATOM 345 OD1 ASN A 532 -2.589 7.017 8.581 1.00 0.00 O ATOM 346 ND2 ASN A 532 -1.123 8.207 9.775 1.00 0.00 N ATOM 0 H ASN A 532 -0.243 5.997 6.817 1.00 0.00 H new ATOM 0 HA ASN A 532 0.443 4.412 9.106 1.00 0.00 H new ATOM 0 HB2 ASN A 532 -1.737 5.142 10.344 1.00 0.00 H new ATOM 0 HB3 ASN A 532 -0.245 6.021 10.612 1.00 0.00 H new ATOM 0 HD21 ASN A 532 -1.460 9.087 9.386 1.00 0.00 H new ATOM 0 HD22 ASN A 532 -0.363 8.208 10.455 1.00 0.00 H new ATOM 353 N LEU A 533 -2.627 4.192 8.119 1.00 0.00 N ATOM 354 CA LEU A 533 -3.636 3.657 7.196 1.00 0.00 C ATOM 355 C LEU A 533 -4.543 4.776 6.688 1.00 0.00 C ATOM 356 O LEU A 533 -4.584 4.964 5.476 1.00 0.00 O ATOM 357 CB LEU A 533 -4.519 2.569 7.844 1.00 0.00 C ATOM 358 CG LEU A 533 -4.062 1.109 7.691 1.00 0.00 C ATOM 359 CD1 LEU A 533 -3.942 0.665 6.224 1.00 0.00 C ATOM 360 CD2 LEU A 533 -2.778 0.822 8.466 1.00 0.00 C ATOM 0 H LEU A 533 -3.036 4.678 8.917 1.00 0.00 H new ATOM 0 HA LEU A 533 -3.085 3.205 6.371 1.00 0.00 H new ATOM 0 HB2 LEU A 533 -4.598 2.788 8.909 1.00 0.00 H new ATOM 0 HB3 LEU A 533 -5.522 2.655 7.426 1.00 0.00 H new ATOM 0 HG LEU A 533 -4.855 0.506 8.134 1.00 0.00 H new ATOM 0 HD11 LEU A 533 -3.616 -0.374 6.184 1.00 0.00 H new ATOM 0 HD12 LEU A 533 -4.911 0.760 5.735 1.00 0.00 H new ATOM 0 HD13 LEU A 533 -3.214 1.294 5.712 1.00 0.00 H new ATOM 0 HD21 LEU A 533 -2.495 -0.221 8.327 1.00 0.00 H new ATOM 0 HD22 LEU A 533 -1.979 1.467 8.099 1.00 0.00 H new ATOM 0 HD23 LEU A 533 -2.942 1.016 9.526 1.00 0.00 H new ATOM 372 N ARG A 534 -5.236 5.525 7.560 1.00 0.00 N ATOM 373 CA ARG A 534 -6.257 6.499 7.141 1.00 0.00 C ATOM 374 C ARG A 534 -5.702 7.559 6.190 1.00 0.00 C ATOM 375 O ARG A 534 -6.369 7.931 5.232 1.00 0.00 O ATOM 376 CB ARG A 534 -6.901 7.207 8.350 1.00 0.00 C ATOM 377 CG ARG A 534 -7.888 6.345 9.154 1.00 0.00 C ATOM 378 CD ARG A 534 -7.294 5.652 10.383 1.00 0.00 C ATOM 379 NE ARG A 534 -8.323 4.939 11.153 1.00 0.00 N ATOM 380 CZ ARG A 534 -8.237 4.537 12.424 1.00 0.00 C ATOM 381 NH1 ARG A 534 -7.164 4.811 13.166 1.00 0.00 N ATOM 382 NH2 ARG A 534 -9.258 3.856 12.932 1.00 0.00 N ATOM 0 H ARG A 534 -5.106 5.473 8.570 1.00 0.00 H new ATOM 0 HA ARG A 534 -7.013 5.918 6.613 1.00 0.00 H new ATOM 0 HB2 ARG A 534 -6.109 7.546 9.018 1.00 0.00 H new ATOM 0 HB3 ARG A 534 -7.422 8.097 7.996 1.00 0.00 H new ATOM 0 HG2 ARG A 534 -8.717 6.975 9.477 1.00 0.00 H new ATOM 0 HG3 ARG A 534 -8.304 5.585 8.493 1.00 0.00 H new ATOM 0 HD2 ARG A 534 -6.523 4.949 10.068 1.00 0.00 H new ATOM 0 HD3 ARG A 534 -6.810 6.392 11.020 1.00 0.00 H new ATOM 0 HE ARG A 534 -9.194 4.729 10.666 1.00 0.00 H new ATOM 0 HH11 ARG A 534 -6.388 5.337 12.765 1.00 0.00 H new ATOM 0 HH12 ARG A 534 -7.119 4.494 14.135 1.00 0.00 H new ATOM 0 HH21 ARG A 534 -10.075 3.655 12.355 1.00 0.00 H new ATOM 0 HH22 ARG A 534 -9.225 3.534 13.899 1.00 0.00 H new ATOM 396 N GLU A 535 -4.502 8.053 6.461 1.00 0.00 N ATOM 397 CA GLU A 535 -3.901 9.150 5.716 1.00 0.00 C ATOM 398 C GLU A 535 -3.639 8.766 4.243 1.00 0.00 C ATOM 399 O GLU A 535 -3.922 9.523 3.317 1.00 0.00 O ATOM 400 CB GLU A 535 -2.643 9.581 6.480 1.00 0.00 C ATOM 401 CG GLU A 535 -2.976 10.576 7.610 1.00 0.00 C ATOM 402 CD GLU A 535 -4.090 10.134 8.578 1.00 0.00 C ATOM 403 OE1 GLU A 535 -3.792 9.408 9.559 1.00 0.00 O ATOM 404 OE2 GLU A 535 -5.259 10.528 8.370 1.00 0.00 O ATOM 0 H GLU A 535 -3.911 7.699 7.214 1.00 0.00 H new ATOM 0 HA GLU A 535 -4.581 9.999 5.650 1.00 0.00 H new ATOM 0 HB2 GLU A 535 -2.154 8.703 6.901 1.00 0.00 H new ATOM 0 HB3 GLU A 535 -1.936 10.039 5.788 1.00 0.00 H new ATOM 0 HG2 GLU A 535 -2.070 10.760 8.187 1.00 0.00 H new ATOM 0 HG3 GLU A 535 -3.266 11.526 7.160 1.00 0.00 H new ATOM 411 N MET A 536 -3.126 7.561 4.011 1.00 0.00 N ATOM 412 CA MET A 536 -2.848 6.956 2.724 1.00 0.00 C ATOM 413 C MET A 536 -4.135 6.744 1.972 1.00 0.00 C ATOM 414 O MET A 536 -4.212 7.219 0.846 1.00 0.00 O ATOM 415 CB MET A 536 -2.131 5.622 2.919 1.00 0.00 C ATOM 416 CG MET A 536 -0.700 5.884 3.359 1.00 0.00 C ATOM 417 SD MET A 536 0.123 4.512 4.161 1.00 0.00 S ATOM 418 CE MET A 536 0.286 3.470 2.716 1.00 0.00 C ATOM 0 H MET A 536 -2.877 6.940 4.781 1.00 0.00 H new ATOM 0 HA MET A 536 -2.205 7.621 2.148 1.00 0.00 H new ATOM 0 HB2 MET A 536 -2.650 5.022 3.667 1.00 0.00 H new ATOM 0 HB3 MET A 536 -2.140 5.051 1.990 1.00 0.00 H new ATOM 0 HG2 MET A 536 -0.117 6.174 2.485 1.00 0.00 H new ATOM 0 HG3 MET A 536 -0.698 6.735 4.040 1.00 0.00 H new ATOM 0 HE1 MET A 536 1.254 2.969 2.736 1.00 0.00 H new ATOM 0 HE2 MET A 536 -0.509 2.724 2.714 1.00 0.00 H new ATOM 0 HE3 MET A 536 0.212 4.081 1.816 1.00 0.00 H new ATOM 428 N LEU A 537 -5.115 6.062 2.580 1.00 0.00 N ATOM 429 CA LEU A 537 -6.477 5.984 2.128 1.00 0.00 C ATOM 430 C LEU A 537 -6.949 7.319 1.574 1.00 0.00 C ATOM 431 O LEU A 537 -7.249 7.350 0.389 1.00 0.00 O ATOM 432 CB LEU A 537 -7.361 5.480 3.281 1.00 0.00 C ATOM 433 CG LEU A 537 -7.760 4.022 3.067 1.00 0.00 C ATOM 434 CD1 LEU A 537 -6.710 2.922 3.247 1.00 0.00 C ATOM 435 CD2 LEU A 537 -8.909 3.675 4.013 1.00 0.00 C ATOM 0 H LEU A 537 -4.955 5.532 3.437 1.00 0.00 H new ATOM 0 HA LEU A 537 -6.550 5.273 1.305 1.00 0.00 H new ATOM 0 HB2 LEU A 537 -6.825 5.579 4.225 1.00 0.00 H new ATOM 0 HB3 LEU A 537 -8.255 6.098 3.355 1.00 0.00 H new ATOM 0 HG LEU A 537 -7.997 4.010 2.003 1.00 0.00 H new ATOM 0 HD11 LEU A 537 -7.165 1.950 3.057 1.00 0.00 H new ATOM 0 HD12 LEU A 537 -5.891 3.083 2.546 1.00 0.00 H new ATOM 0 HD13 LEU A 537 -6.326 2.949 4.267 1.00 0.00 H new ATOM 0 HD21 LEU A 537 -9.200 2.635 3.866 1.00 0.00 H new ATOM 0 HD22 LEU A 537 -8.587 3.820 5.044 1.00 0.00 H new ATOM 0 HD23 LEU A 537 -9.760 4.323 3.804 1.00 0.00 H new ATOM 447 N ALA A 538 -6.956 8.408 2.352 1.00 0.00 N ATOM 448 CA ALA A 538 -7.540 9.666 1.886 1.00 0.00 C ATOM 449 C ALA A 538 -6.979 10.074 0.515 1.00 0.00 C ATOM 450 O ALA A 538 -7.755 10.363 -0.399 1.00 0.00 O ATOM 451 CB ALA A 538 -7.347 10.768 2.932 1.00 0.00 C ATOM 0 H ALA A 538 -6.569 8.442 3.295 1.00 0.00 H new ATOM 0 HA ALA A 538 -8.612 9.515 1.755 1.00 0.00 H new ATOM 0 HB1 ALA A 538 -7.788 11.696 2.568 1.00 0.00 H new ATOM 0 HB2 ALA A 538 -7.834 10.476 3.863 1.00 0.00 H new ATOM 0 HB3 ALA A 538 -6.282 10.917 3.111 1.00 0.00 H new ATOM 457 N HIS A 539 -5.651 10.028 0.355 1.00 0.00 N ATOM 458 CA HIS A 539 -4.968 10.327 -0.902 1.00 0.00 C ATOM 459 C HIS A 539 -5.199 9.255 -1.982 1.00 0.00 C ATOM 460 O HIS A 539 -5.402 9.594 -3.145 1.00 0.00 O ATOM 461 CB HIS A 539 -3.473 10.503 -0.632 1.00 0.00 C ATOM 462 CG HIS A 539 -2.673 10.768 -1.882 1.00 0.00 C ATOM 463 ND1 HIS A 539 -2.870 11.788 -2.801 1.00 0.00 N ATOM 464 CD2 HIS A 539 -1.638 9.990 -2.315 1.00 0.00 C ATOM 465 CE1 HIS A 539 -1.923 11.650 -3.749 1.00 0.00 C ATOM 466 NE2 HIS A 539 -1.161 10.565 -3.477 1.00 0.00 N ATOM 0 H HIS A 539 -5.013 9.777 1.110 1.00 0.00 H new ATOM 0 HA HIS A 539 -5.391 11.251 -1.296 1.00 0.00 H new ATOM 0 HB2 HIS A 539 -3.331 11.329 0.065 1.00 0.00 H new ATOM 0 HB3 HIS A 539 -3.090 9.606 -0.146 1.00 0.00 H new ATOM 0 HD1 HIS A 539 -3.594 12.506 -2.766 1.00 0.00 H new ATOM 0 HD2 HIS A 539 -1.264 9.095 -1.840 1.00 0.00 H new ATOM 0 HE1 HIS A 539 -1.792 12.306 -4.597 1.00 0.00 H new ATOM 475 N ALA A 540 -5.108 7.969 -1.650 1.00 0.00 N ATOM 476 CA ALA A 540 -5.325 6.838 -2.550 1.00 0.00 C ATOM 477 C ALA A 540 -6.736 6.837 -3.137 1.00 0.00 C ATOM 478 O ALA A 540 -6.880 6.555 -4.321 1.00 0.00 O ATOM 479 CB ALA A 540 -5.096 5.536 -1.779 1.00 0.00 C ATOM 0 H ALA A 540 -4.870 7.673 -0.703 1.00 0.00 H new ATOM 0 HA ALA A 540 -4.621 6.925 -3.378 1.00 0.00 H new ATOM 0 HB1 ALA A 540 -5.256 4.687 -2.443 1.00 0.00 H new ATOM 0 HB2 ALA A 540 -4.074 5.513 -1.400 1.00 0.00 H new ATOM 0 HB3 ALA A 540 -5.794 5.480 -0.944 1.00 0.00 H new ATOM 485 N GLU A 541 -7.770 7.128 -2.345 1.00 0.00 N ATOM 486 CA GLU A 541 -9.097 7.465 -2.781 1.00 0.00 C ATOM 487 C GLU A 541 -9.079 8.718 -3.661 1.00 0.00 C ATOM 488 O GLU A 541 -9.512 8.637 -4.803 1.00 0.00 O ATOM 489 CB GLU A 541 -10.036 7.533 -1.561 1.00 0.00 C ATOM 490 CG GLU A 541 -9.975 6.335 -0.587 1.00 0.00 C ATOM 491 CD GLU A 541 -10.636 6.505 0.788 1.00 0.00 C ATOM 492 OE1 GLU A 541 -10.495 7.570 1.442 1.00 0.00 O ATOM 493 OE2 GLU A 541 -11.340 5.574 1.233 1.00 0.00 O ATOM 0 H GLU A 541 -7.683 7.131 -1.329 1.00 0.00 H new ATOM 0 HA GLU A 541 -9.502 6.686 -3.427 1.00 0.00 H new ATOM 0 HB2 GLU A 541 -9.807 8.441 -1.003 1.00 0.00 H new ATOM 0 HB3 GLU A 541 -11.060 7.630 -1.922 1.00 0.00 H new ATOM 0 HG2 GLU A 541 -10.436 5.478 -1.078 1.00 0.00 H new ATOM 0 HG3 GLU A 541 -8.926 6.084 -0.427 1.00 0.00 H new ATOM 500 N GLU A 542 -8.506 9.833 -3.194 1.00 0.00 N ATOM 501 CA GLU A 542 -8.470 11.115 -3.915 1.00 0.00 C ATOM 502 C GLU A 542 -7.963 10.963 -5.350 1.00 0.00 C ATOM 503 O GLU A 542 -8.560 11.489 -6.291 1.00 0.00 O ATOM 504 CB GLU A 542 -7.622 12.128 -3.118 1.00 0.00 C ATOM 505 CG GLU A 542 -7.328 13.476 -3.803 1.00 0.00 C ATOM 506 CD GLU A 542 -5.917 13.571 -4.382 1.00 0.00 C ATOM 507 OE1 GLU A 542 -4.924 13.432 -3.611 1.00 0.00 O ATOM 508 OE2 GLU A 542 -5.820 13.740 -5.617 1.00 0.00 O ATOM 0 H GLU A 542 -8.044 9.872 -2.285 1.00 0.00 H new ATOM 0 HA GLU A 542 -9.490 11.489 -3.996 1.00 0.00 H new ATOM 0 HB2 GLU A 542 -8.130 12.329 -2.175 1.00 0.00 H new ATOM 0 HB3 GLU A 542 -6.670 11.656 -2.873 1.00 0.00 H new ATOM 0 HG2 GLU A 542 -8.052 13.633 -4.603 1.00 0.00 H new ATOM 0 HG3 GLU A 542 -7.471 14.280 -3.081 1.00 0.00 H new ATOM 515 N THR A 543 -6.867 10.227 -5.509 1.00 0.00 N ATOM 516 CA THR A 543 -6.179 10.011 -6.776 1.00 0.00 C ATOM 517 C THR A 543 -6.608 8.729 -7.488 1.00 0.00 C ATOM 518 O THR A 543 -6.113 8.437 -8.575 1.00 0.00 O ATOM 519 CB THR A 543 -4.664 9.971 -6.547 1.00 0.00 C ATOM 520 OG1 THR A 543 -4.299 9.088 -5.498 1.00 0.00 O ATOM 521 CG2 THR A 543 -4.083 11.333 -6.223 1.00 0.00 C ATOM 0 H THR A 543 -6.418 9.747 -4.729 1.00 0.00 H new ATOM 0 HA THR A 543 -6.454 10.847 -7.420 1.00 0.00 H new ATOM 0 HB THR A 543 -4.255 9.615 -7.493 1.00 0.00 H new ATOM 0 HG1 THR A 543 -4.463 9.521 -4.634 1.00 0.00 H new ATOM 0 HG21 THR A 543 -3.007 11.243 -6.071 1.00 0.00 H new ATOM 0 HG22 THR A 543 -4.277 12.017 -7.049 1.00 0.00 H new ATOM 0 HG23 THR A 543 -4.547 11.720 -5.315 1.00 0.00 H new ATOM 529 N ARG A 544 -7.468 7.911 -6.872 1.00 0.00 N ATOM 530 CA ARG A 544 -7.718 6.530 -7.279 1.00 0.00 C ATOM 531 C ARG A 544 -6.401 5.772 -7.563 1.00 0.00 C ATOM 532 O ARG A 544 -6.352 4.962 -8.489 1.00 0.00 O ATOM 533 CB ARG A 544 -8.749 6.534 -8.437 1.00 0.00 C ATOM 534 CG ARG A 544 -10.001 7.392 -8.163 1.00 0.00 C ATOM 535 CD ARG A 544 -10.823 7.013 -6.920 1.00 0.00 C ATOM 536 NE ARG A 544 -11.875 6.009 -7.154 1.00 0.00 N ATOM 537 CZ ARG A 544 -11.793 4.703 -6.861 1.00 0.00 C ATOM 538 NH1 ARG A 544 -10.625 4.124 -6.616 1.00 0.00 N ATOM 539 NH2 ARG A 544 -12.881 3.953 -6.788 1.00 0.00 N ATOM 0 H ARG A 544 -8.018 8.198 -6.062 1.00 0.00 H new ATOM 0 HA ARG A 544 -8.165 5.959 -6.465 1.00 0.00 H new ATOM 0 HB2 ARG A 544 -8.262 6.899 -9.341 1.00 0.00 H new ATOM 0 HB3 ARG A 544 -9.061 5.508 -8.635 1.00 0.00 H new ATOM 0 HG2 ARG A 544 -9.689 8.432 -8.064 1.00 0.00 H new ATOM 0 HG3 ARG A 544 -10.653 7.336 -9.035 1.00 0.00 H new ATOM 0 HD2 ARG A 544 -10.144 6.635 -6.155 1.00 0.00 H new ATOM 0 HD3 ARG A 544 -11.285 7.915 -6.519 1.00 0.00 H new ATOM 0 HE ARG A 544 -12.744 6.336 -7.577 1.00 0.00 H new ATOM 0 HH11 ARG A 544 -9.766 4.674 -6.648 1.00 0.00 H new ATOM 0 HH12 ARG A 544 -10.585 3.129 -6.395 1.00 0.00 H new ATOM 0 HH21 ARG A 544 -13.798 4.367 -6.956 1.00 0.00 H new ATOM 0 HH22 ARG A 544 -12.803 2.961 -6.564 1.00 0.00 H new ATOM 553 N LYS A 545 -5.337 5.982 -6.775 1.00 0.00 N ATOM 554 CA LYS A 545 -4.042 5.308 -6.969 1.00 0.00 C ATOM 555 C LYS A 545 -4.052 3.891 -6.401 1.00 0.00 C ATOM 556 O LYS A 545 -4.644 3.658 -5.344 1.00 0.00 O ATOM 557 CB LYS A 545 -2.891 6.150 -6.393 1.00 0.00 C ATOM 558 CG LYS A 545 -2.500 7.208 -7.436 1.00 0.00 C ATOM 559 CD LYS A 545 -1.497 8.253 -6.942 1.00 0.00 C ATOM 560 CE LYS A 545 -1.419 9.332 -8.031 1.00 0.00 C ATOM 561 NZ LYS A 545 -0.375 10.341 -7.784 1.00 0.00 N ATOM 0 H LYS A 545 -5.349 6.625 -5.983 1.00 0.00 H new ATOM 0 HA LYS A 545 -3.874 5.214 -8.042 1.00 0.00 H new ATOM 0 HB2 LYS A 545 -3.199 6.629 -5.463 1.00 0.00 H new ATOM 0 HB3 LYS A 545 -2.037 5.515 -6.157 1.00 0.00 H new ATOM 0 HG2 LYS A 545 -2.079 6.703 -8.306 1.00 0.00 H new ATOM 0 HG3 LYS A 545 -3.402 7.720 -7.770 1.00 0.00 H new ATOM 0 HD2 LYS A 545 -1.820 8.682 -5.993 1.00 0.00 H new ATOM 0 HD3 LYS A 545 -0.519 7.802 -6.772 1.00 0.00 H new ATOM 0 HE2 LYS A 545 -1.231 8.854 -8.992 1.00 0.00 H new ATOM 0 HE3 LYS A 545 -2.385 9.831 -8.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 545 -0.377 11.038 -8.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 545 -0.564 10.823 -6.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 545 0.554 9.876 -7.740 1.00 0.00 H new ATOM 575 N LEU A 546 -3.419 2.951 -7.110 1.00 0.00 N ATOM 576 CA LEU A 546 -3.306 1.529 -6.763 1.00 0.00 C ATOM 577 C LEU A 546 -2.578 1.365 -5.421 1.00 0.00 C ATOM 578 O LEU A 546 -1.642 2.113 -5.116 1.00 0.00 O ATOM 579 CB LEU A 546 -2.511 0.845 -7.891 1.00 0.00 C ATOM 580 CG LEU A 546 -2.014 -0.613 -7.709 1.00 0.00 C ATOM 581 CD1 LEU A 546 -3.080 -1.699 -7.490 1.00 0.00 C ATOM 582 CD2 LEU A 546 -1.228 -0.967 -8.976 1.00 0.00 C ATOM 0 H LEU A 546 -2.947 3.172 -7.987 1.00 0.00 H new ATOM 0 HA LEU A 546 -4.293 1.078 -6.661 1.00 0.00 H new ATOM 0 HB2 LEU A 546 -3.132 0.867 -8.786 1.00 0.00 H new ATOM 0 HB3 LEU A 546 -1.637 1.464 -8.094 1.00 0.00 H new ATOM 0 HG LEU A 546 -1.436 -0.616 -6.785 1.00 0.00 H new ATOM 0 HD11 LEU A 546 -2.594 -2.668 -7.378 1.00 0.00 H new ATOM 0 HD12 LEU A 546 -3.650 -1.473 -6.589 1.00 0.00 H new ATOM 0 HD13 LEU A 546 -3.752 -1.727 -8.347 1.00 0.00 H new ATOM 0 HD21 LEU A 546 -0.854 -1.988 -8.899 1.00 0.00 H new ATOM 0 HD22 LEU A 546 -1.881 -0.884 -9.845 1.00 0.00 H new ATOM 0 HD23 LEU A 546 -0.388 -0.281 -9.087 1.00 0.00 H new ATOM 594 N MET A 547 -2.960 0.348 -4.643 1.00 0.00 N ATOM 595 CA MET A 547 -2.481 0.144 -3.277 1.00 0.00 C ATOM 596 C MET A 547 -2.089 -1.325 -3.032 1.00 0.00 C ATOM 597 O MET A 547 -2.917 -2.121 -2.594 1.00 0.00 O ATOM 598 CB MET A 547 -3.563 0.667 -2.316 1.00 0.00 C ATOM 599 CG MET A 547 -3.053 0.864 -0.887 1.00 0.00 C ATOM 600 SD MET A 547 -4.110 1.941 0.121 1.00 0.00 S ATOM 601 CE MET A 547 -3.062 2.153 1.568 1.00 0.00 C ATOM 0 H MET A 547 -3.620 -0.366 -4.951 1.00 0.00 H new ATOM 0 HA MET A 547 -1.563 0.705 -3.099 1.00 0.00 H new ATOM 0 HB2 MET A 547 -3.947 1.615 -2.692 1.00 0.00 H new ATOM 0 HB3 MET A 547 -4.399 -0.033 -2.304 1.00 0.00 H new ATOM 0 HG2 MET A 547 -2.972 -0.109 -0.402 1.00 0.00 H new ATOM 0 HG3 MET A 547 -2.049 1.286 -0.924 1.00 0.00 H new ATOM 0 HE1 MET A 547 -3.667 2.492 2.409 1.00 0.00 H new ATOM 0 HE2 MET A 547 -2.592 1.202 1.819 1.00 0.00 H new ATOM 0 HE3 MET A 547 -2.291 2.894 1.354 1.00 0.00 H new ATOM 611 N PRO A 548 -0.844 -1.752 -3.302 1.00 0.00 N ATOM 612 CA PRO A 548 -0.425 -3.132 -3.043 1.00 0.00 C ATOM 613 C PRO A 548 -0.456 -3.461 -1.540 1.00 0.00 C ATOM 614 O PRO A 548 -0.030 -2.641 -0.722 1.00 0.00 O ATOM 615 CB PRO A 548 0.966 -3.255 -3.674 1.00 0.00 C ATOM 616 CG PRO A 548 1.488 -1.822 -3.751 1.00 0.00 C ATOM 617 CD PRO A 548 0.229 -0.976 -3.896 1.00 0.00 C ATOM 0 HA PRO A 548 -1.104 -3.863 -3.481 1.00 0.00 H new ATOM 0 HB2 PRO A 548 1.621 -3.882 -3.069 1.00 0.00 H new ATOM 0 HB3 PRO A 548 0.913 -3.710 -4.663 1.00 0.00 H new ATOM 0 HG2 PRO A 548 2.048 -1.553 -2.856 1.00 0.00 H new ATOM 0 HG3 PRO A 548 2.159 -1.687 -4.599 1.00 0.00 H new ATOM 0 HD2 PRO A 548 0.343 -0.017 -3.391 1.00 0.00 H new ATOM 0 HD3 PRO A 548 0.021 -0.761 -4.944 1.00 0.00 H new ATOM 625 N ILE A 549 -0.965 -4.638 -1.163 1.00 0.00 N ATOM 626 CA ILE A 549 -1.078 -5.127 0.212 1.00 0.00 C ATOM 627 C ILE A 549 -0.732 -6.614 0.185 1.00 0.00 C ATOM 628 O ILE A 549 -1.251 -7.353 -0.646 1.00 0.00 O ATOM 629 CB ILE A 549 -2.516 -4.939 0.743 1.00 0.00 C ATOM 630 CG1 ILE A 549 -3.014 -3.485 0.763 1.00 0.00 C ATOM 631 CG2 ILE A 549 -2.748 -5.578 2.126 1.00 0.00 C ATOM 632 CD1 ILE A 549 -2.406 -2.530 1.793 1.00 0.00 C ATOM 0 H ILE A 549 -1.327 -5.307 -1.843 1.00 0.00 H new ATOM 0 HA ILE A 549 -0.407 -4.573 0.868 1.00 0.00 H new ATOM 0 HB ILE A 549 -3.112 -5.474 0.003 1.00 0.00 H new ATOM 0 HG12 ILE A 549 -2.844 -3.061 -0.227 1.00 0.00 H new ATOM 0 HG13 ILE A 549 -4.092 -3.504 0.921 1.00 0.00 H new ATOM 0 HG21 ILE A 549 -3.779 -5.408 2.437 1.00 0.00 H new ATOM 0 HG22 ILE A 549 -2.559 -6.650 2.068 1.00 0.00 H new ATOM 0 HG23 ILE A 549 -2.071 -5.129 2.852 1.00 0.00 H new ATOM 0 HD11 ILE A 549 -2.856 -1.543 1.685 1.00 0.00 H new ATOM 0 HD12 ILE A 549 -2.598 -2.908 2.797 1.00 0.00 H new ATOM 0 HD13 ILE A 549 -1.330 -2.458 1.632 1.00 0.00 H new ATOM 644 N CYS A 550 0.091 -7.072 1.123 1.00 0.00 N ATOM 645 CA CYS A 550 0.313 -8.506 1.279 1.00 0.00 C ATOM 646 C CYS A 550 -0.916 -9.070 1.982 1.00 0.00 C ATOM 647 O CYS A 550 -1.288 -8.567 3.044 1.00 0.00 O ATOM 648 CB CYS A 550 1.572 -8.800 2.099 1.00 0.00 C ATOM 649 SG CYS A 550 1.913 -10.583 2.017 1.00 0.00 S ATOM 0 H CYS A 550 0.607 -6.483 1.776 1.00 0.00 H new ATOM 0 HA CYS A 550 0.462 -8.967 0.303 1.00 0.00 H new ATOM 0 HB2 CYS A 550 2.418 -8.235 1.709 1.00 0.00 H new ATOM 0 HB3 CYS A 550 1.431 -8.489 3.134 1.00 0.00 H new ATOM 0 HG CYS A 550 3.016 -10.844 2.654 1.00 0.00 H new ATOM 655 N MET A 551 -1.523 -10.132 1.445 1.00 0.00 N ATOM 656 CA MET A 551 -2.704 -10.718 2.081 1.00 0.00 C ATOM 657 C MET A 551 -2.398 -11.362 3.443 1.00 0.00 C ATOM 658 O MET A 551 -3.313 -11.767 4.166 1.00 0.00 O ATOM 659 CB MET A 551 -3.392 -11.729 1.153 1.00 0.00 C ATOM 660 CG MET A 551 -2.512 -12.937 0.794 1.00 0.00 C ATOM 661 SD MET A 551 -3.377 -14.378 0.112 1.00 0.00 S ATOM 662 CE MET A 551 -4.389 -13.562 -1.145 1.00 0.00 C ATOM 0 H MET A 551 -1.223 -10.596 0.588 1.00 0.00 H new ATOM 0 HA MET A 551 -3.387 -9.889 2.268 1.00 0.00 H new ATOM 0 HB2 MET A 551 -4.305 -12.085 1.631 1.00 0.00 H new ATOM 0 HB3 MET A 551 -3.690 -11.222 0.235 1.00 0.00 H new ATOM 0 HG2 MET A 551 -1.762 -12.613 0.072 1.00 0.00 H new ATOM 0 HG3 MET A 551 -1.977 -13.250 1.690 1.00 0.00 H new ATOM 0 HE1 MET A 551 -4.937 -14.313 -1.714 1.00 0.00 H new ATOM 0 HE2 MET A 551 -5.095 -12.886 -0.662 1.00 0.00 H new ATOM 0 HE3 MET A 551 -3.746 -12.995 -1.818 1.00 0.00 H new ATOM 672 N ASP A 552 -1.120 -11.554 3.763 1.00 0.00 N ATOM 673 CA ASP A 552 -0.672 -12.353 4.894 1.00 0.00 C ATOM 674 C ASP A 552 -0.795 -11.610 6.224 1.00 0.00 C ATOM 675 O ASP A 552 -0.992 -12.235 7.269 1.00 0.00 O ATOM 676 CB ASP A 552 0.782 -12.742 4.649 1.00 0.00 C ATOM 677 CG ASP A 552 1.283 -13.778 5.651 1.00 0.00 C ATOM 678 OD1 ASP A 552 0.579 -14.779 5.905 1.00 0.00 O ATOM 679 OD2 ASP A 552 2.431 -13.656 6.126 1.00 0.00 O ATOM 0 H ASP A 552 -0.352 -11.148 3.229 1.00 0.00 H new ATOM 0 HA ASP A 552 -1.310 -13.233 4.970 1.00 0.00 H new ATOM 0 HB2 ASP A 552 0.884 -13.138 3.639 1.00 0.00 H new ATOM 0 HB3 ASP A 552 1.408 -11.852 4.707 1.00 0.00 H new ATOM 684 N VAL A 553 -0.706 -10.277 6.197 1.00 0.00 N ATOM 685 CA VAL A 553 -0.734 -9.455 7.396 1.00 0.00 C ATOM 686 C VAL A 553 -2.185 -9.231 7.823 1.00 0.00 C ATOM 687 O VAL A 553 -2.803 -8.217 7.487 1.00 0.00 O ATOM 688 CB VAL A 553 0.126 -8.189 7.228 1.00 0.00 C ATOM 689 CG1 VAL A 553 -0.126 -7.459 5.908 1.00 0.00 C ATOM 690 CG2 VAL A 553 0.160 -7.301 8.471 1.00 0.00 C ATOM 0 H VAL A 553 -0.612 -9.741 5.334 1.00 0.00 H new ATOM 0 HA VAL A 553 -0.260 -9.970 8.232 1.00 0.00 H new ATOM 0 HB VAL A 553 1.156 -8.536 7.141 1.00 0.00 H new ATOM 0 HG11 VAL A 553 0.511 -6.576 5.853 1.00 0.00 H new ATOM 0 HG12 VAL A 553 0.102 -8.124 5.075 1.00 0.00 H new ATOM 0 HG13 VAL A 553 -1.171 -7.155 5.854 1.00 0.00 H new ATOM 0 HG21 VAL A 553 0.785 -6.429 8.278 1.00 0.00 H new ATOM 0 HG22 VAL A 553 -0.852 -6.976 8.714 1.00 0.00 H new ATOM 0 HG23 VAL A 553 0.571 -7.864 9.309 1.00 0.00 H new ATOM 700 N ARG A 554 -2.729 -10.166 8.608 1.00 0.00 N ATOM 701 CA ARG A 554 -4.084 -10.084 9.167 1.00 0.00 C ATOM 702 C ARG A 554 -4.311 -8.755 9.880 1.00 0.00 C ATOM 703 O ARG A 554 -5.431 -8.242 9.865 1.00 0.00 O ATOM 704 CB ARG A 554 -4.317 -11.252 10.141 1.00 0.00 C ATOM 705 CG ARG A 554 -4.659 -12.568 9.440 1.00 0.00 C ATOM 706 CD ARG A 554 -6.155 -12.680 9.130 1.00 0.00 C ATOM 707 NE ARG A 554 -6.423 -13.900 8.359 1.00 0.00 N ATOM 708 CZ ARG A 554 -7.470 -14.115 7.559 1.00 0.00 C ATOM 709 NH1 ARG A 554 -8.541 -13.329 7.617 1.00 0.00 N ATOM 710 NH2 ARG A 554 -7.446 -15.129 6.705 1.00 0.00 N ATOM 0 H ARG A 554 -2.233 -11.015 8.878 1.00 0.00 H new ATOM 0 HA ARG A 554 -4.796 -10.148 8.344 1.00 0.00 H new ATOM 0 HB2 ARG A 554 -3.422 -11.394 10.747 1.00 0.00 H new ATOM 0 HB3 ARG A 554 -5.126 -10.991 10.823 1.00 0.00 H new ATOM 0 HG2 ARG A 554 -4.090 -12.644 8.513 1.00 0.00 H new ATOM 0 HG3 ARG A 554 -4.356 -13.404 10.070 1.00 0.00 H new ATOM 0 HD2 ARG A 554 -6.726 -12.695 10.058 1.00 0.00 H new ATOM 0 HD3 ARG A 554 -6.484 -11.806 8.568 1.00 0.00 H new ATOM 0 HE ARG A 554 -5.744 -14.656 8.442 1.00 0.00 H new ATOM 0 HH11 ARG A 554 -8.568 -12.552 8.278 1.00 0.00 H new ATOM 0 HH12 ARG A 554 -9.335 -13.503 7.001 1.00 0.00 H new ATOM 0 HH21 ARG A 554 -6.630 -15.740 6.662 1.00 0.00 H new ATOM 0 HH22 ARG A 554 -8.243 -15.298 6.091 1.00 0.00 H new ATOM 724 N ALA A 555 -3.258 -8.178 10.461 1.00 0.00 N ATOM 725 CA ALA A 555 -3.268 -6.857 11.062 1.00 0.00 C ATOM 726 C ALA A 555 -3.705 -5.789 10.063 1.00 0.00 C ATOM 727 O ALA A 555 -4.708 -5.120 10.289 1.00 0.00 O ATOM 728 CB ALA A 555 -1.880 -6.545 11.628 1.00 0.00 C ATOM 0 H ALA A 555 -2.349 -8.637 10.525 1.00 0.00 H new ATOM 0 HA ALA A 555 -3.996 -6.849 11.873 1.00 0.00 H new ATOM 0 HB1 ALA A 555 -1.886 -5.553 12.080 1.00 0.00 H new ATOM 0 HB2 ALA A 555 -1.620 -7.286 12.384 1.00 0.00 H new ATOM 0 HB3 ALA A 555 -1.144 -6.573 10.824 1.00 0.00 H new ATOM 734 N ILE A 556 -2.953 -5.603 8.976 1.00 0.00 N ATOM 735 CA ILE A 556 -3.243 -4.560 7.992 1.00 0.00 C ATOM 736 C ILE A 556 -4.604 -4.837 7.358 1.00 0.00 C ATOM 737 O ILE A 556 -5.417 -3.931 7.136 1.00 0.00 O ATOM 738 CB ILE A 556 -2.080 -4.534 6.978 1.00 0.00 C ATOM 739 CG1 ILE A 556 -0.852 -3.878 7.644 1.00 0.00 C ATOM 740 CG2 ILE A 556 -2.419 -3.891 5.621 1.00 0.00 C ATOM 741 CD1 ILE A 556 -0.921 -2.352 7.707 1.00 0.00 C ATOM 0 H ILE A 556 -2.132 -6.167 8.755 1.00 0.00 H new ATOM 0 HA ILE A 556 -3.311 -3.570 8.443 1.00 0.00 H new ATOM 0 HB ILE A 556 -1.857 -5.569 6.718 1.00 0.00 H new ATOM 0 HG12 ILE A 556 -0.748 -4.269 8.656 1.00 0.00 H new ATOM 0 HG13 ILE A 556 0.044 -4.169 7.096 1.00 0.00 H new ATOM 0 HG21 ILE A 556 -1.541 -3.919 4.976 1.00 0.00 H new ATOM 0 HG22 ILE A 556 -3.233 -4.443 5.150 1.00 0.00 H new ATOM 0 HG23 ILE A 556 -2.724 -2.856 5.775 1.00 0.00 H new ATOM 0 HD11 ILE A 556 -0.022 -1.967 8.188 1.00 0.00 H new ATOM 0 HD12 ILE A 556 -0.993 -1.949 6.697 1.00 0.00 H new ATOM 0 HD13 ILE A 556 -1.797 -2.051 8.281 1.00 0.00 H new ATOM 753 N MET A 557 -4.856 -6.115 7.098 1.00 0.00 N ATOM 754 CA MET A 557 -6.057 -6.573 6.448 1.00 0.00 C ATOM 755 C MET A 557 -7.280 -6.258 7.305 1.00 0.00 C ATOM 756 O MET A 557 -8.315 -5.921 6.742 1.00 0.00 O ATOM 757 CB MET A 557 -5.904 -8.067 6.154 1.00 0.00 C ATOM 758 CG MET A 557 -4.820 -8.317 5.091 1.00 0.00 C ATOM 759 SD MET A 557 -5.452 -8.967 3.534 1.00 0.00 S ATOM 760 CE MET A 557 -6.658 -7.700 3.120 1.00 0.00 C ATOM 0 H MET A 557 -4.213 -6.868 7.342 1.00 0.00 H new ATOM 0 HA MET A 557 -6.210 -6.052 5.503 1.00 0.00 H new ATOM 0 HB2 MET A 557 -5.646 -8.596 7.071 1.00 0.00 H new ATOM 0 HB3 MET A 557 -6.855 -8.472 5.809 1.00 0.00 H new ATOM 0 HG2 MET A 557 -4.295 -7.382 4.896 1.00 0.00 H new ATOM 0 HG3 MET A 557 -4.086 -9.016 5.493 1.00 0.00 H new ATOM 0 HE1 MET A 557 -7.343 -8.083 2.364 1.00 0.00 H new ATOM 0 HE2 MET A 557 -7.219 -7.426 4.013 1.00 0.00 H new ATOM 0 HE3 MET A 557 -6.144 -6.821 2.731 1.00 0.00 H new ATOM 770 N ALA A 558 -7.208 -6.345 8.638 1.00 0.00 N ATOM 771 CA ALA A 558 -8.348 -6.091 9.521 1.00 0.00 C ATOM 772 C ALA A 558 -8.793 -4.629 9.534 1.00 0.00 C ATOM 773 O ALA A 558 -9.914 -4.346 9.967 1.00 0.00 O ATOM 774 CB ALA A 558 -8.031 -6.548 10.942 1.00 0.00 C ATOM 0 H ALA A 558 -6.353 -6.595 9.135 1.00 0.00 H new ATOM 0 HA ALA A 558 -9.179 -6.670 9.118 1.00 0.00 H new ATOM 0 HB1 ALA A 558 -8.888 -6.353 11.587 1.00 0.00 H new ATOM 0 HB2 ALA A 558 -7.814 -7.616 10.941 1.00 0.00 H new ATOM 0 HB3 ALA A 558 -7.164 -6.002 11.315 1.00 0.00 H new ATOM 780 N THR A 559 -7.982 -3.688 9.048 1.00 0.00 N ATOM 781 CA THR A 559 -8.475 -2.345 8.798 1.00 0.00 C ATOM 782 C THR A 559 -9.206 -2.349 7.458 1.00 0.00 C ATOM 783 O THR A 559 -10.358 -1.929 7.420 1.00 0.00 O ATOM 784 CB THR A 559 -7.330 -1.331 8.933 1.00 0.00 C ATOM 785 OG1 THR A 559 -6.895 -1.444 10.269 1.00 0.00 O ATOM 786 CG2 THR A 559 -7.787 0.112 8.684 1.00 0.00 C ATOM 0 H THR A 559 -6.997 -3.833 8.825 1.00 0.00 H new ATOM 0 HA THR A 559 -9.205 -2.024 9.541 1.00 0.00 H new ATOM 0 HB THR A 559 -6.554 -1.542 8.197 1.00 0.00 H new ATOM 0 HG1 THR A 559 -6.156 -0.820 10.426 1.00 0.00 H new ATOM 0 HG21 THR A 559 -6.938 0.786 8.792 1.00 0.00 H new ATOM 0 HG22 THR A 559 -8.191 0.197 7.675 1.00 0.00 H new ATOM 0 HG23 THR A 559 -8.557 0.380 9.407 1.00 0.00 H new ATOM 794 N ILE A 560 -8.602 -2.861 6.380 1.00 0.00 N ATOM 795 CA ILE A 560 -9.189 -2.831 5.036 1.00 0.00 C ATOM 796 C ILE A 560 -10.541 -3.562 5.005 1.00 0.00 C ATOM 797 O ILE A 560 -11.562 -2.936 4.735 1.00 0.00 O ATOM 798 CB ILE A 560 -8.207 -3.403 3.993 1.00 0.00 C ATOM 799 CG1 ILE A 560 -6.890 -2.600 3.942 1.00 0.00 C ATOM 800 CG2 ILE A 560 -8.863 -3.362 2.596 1.00 0.00 C ATOM 801 CD1 ILE A 560 -5.758 -3.425 3.326 1.00 0.00 C ATOM 0 H ILE A 560 -7.687 -3.310 6.416 1.00 0.00 H new ATOM 0 HA ILE A 560 -9.378 -1.790 4.772 1.00 0.00 H new ATOM 0 HB ILE A 560 -7.975 -4.427 4.285 1.00 0.00 H new ATOM 0 HG12 ILE A 560 -7.039 -1.691 3.359 1.00 0.00 H new ATOM 0 HG13 ILE A 560 -6.611 -2.291 4.949 1.00 0.00 H new ATOM 0 HG21 ILE A 560 -8.171 -3.766 1.857 1.00 0.00 H new ATOM 0 HG22 ILE A 560 -9.774 -3.960 2.604 1.00 0.00 H new ATOM 0 HG23 ILE A 560 -9.108 -2.331 2.339 1.00 0.00 H new ATOM 0 HD11 ILE A 560 -4.845 -2.831 3.305 1.00 0.00 H new ATOM 0 HD12 ILE A 560 -5.594 -4.321 3.924 1.00 0.00 H new ATOM 0 HD13 ILE A 560 -6.028 -3.712 2.310 1.00 0.00 H new ATOM 813 N GLN A 561 -10.563 -4.870 5.272 1.00 0.00 N ATOM 814 CA GLN A 561 -11.729 -5.748 5.210 1.00 0.00 C ATOM 815 C GLN A 561 -12.905 -5.193 6.036 1.00 0.00 C ATOM 816 O GLN A 561 -14.073 -5.338 5.673 1.00 0.00 O ATOM 817 CB GLN A 561 -11.261 -7.104 5.775 1.00 0.00 C ATOM 818 CG GLN A 561 -11.454 -8.319 4.871 1.00 0.00 C ATOM 819 CD GLN A 561 -12.637 -9.197 5.250 1.00 0.00 C ATOM 820 OE1 GLN A 561 -12.694 -10.391 4.694 1.00 0.00 O flip ATOM 821 NE2 GLN A 561 -13.477 -8.847 6.073 1.00 0.00 N flip ATOM 0 H GLN A 561 -9.720 -5.370 5.553 1.00 0.00 H new ATOM 0 HA GLN A 561 -12.095 -5.836 4.187 1.00 0.00 H new ATOM 0 HB2 GLN A 561 -10.202 -7.025 6.020 1.00 0.00 H new ATOM 0 HB3 GLN A 561 -11.791 -7.286 6.710 1.00 0.00 H new ATOM 0 HG2 GLN A 561 -11.584 -7.977 3.844 1.00 0.00 H new ATOM 0 HG3 GLN A 561 -10.546 -8.922 4.893 1.00 0.00 H new ATOM 0 HE21 GLN A 561 -13.422 -7.920 6.496 1.00 0.00 H new ATOM 0 HE22 GLN A 561 -14.231 -9.483 6.334 1.00 0.00 H new ATOM 830 N ARG A 562 -12.595 -4.538 7.162 1.00 0.00 N ATOM 831 CA ARG A 562 -13.576 -3.832 7.974 1.00 0.00 C ATOM 832 C ARG A 562 -14.050 -2.570 7.269 1.00 0.00 C ATOM 833 O ARG A 562 -15.252 -2.351 7.144 1.00 0.00 O ATOM 834 CB ARG A 562 -12.966 -3.520 9.348 1.00 0.00 C ATOM 835 CG ARG A 562 -13.899 -2.688 10.239 1.00 0.00 C ATOM 836 CD ARG A 562 -13.402 -1.242 10.407 1.00 0.00 C ATOM 837 NE ARG A 562 -14.455 -0.354 10.921 1.00 0.00 N ATOM 838 CZ ARG A 562 -14.991 -0.370 12.148 1.00 0.00 C ATOM 839 NH1 ARG A 562 -14.516 -1.187 13.086 1.00 0.00 N ATOM 840 NH2 ARG A 562 -16.017 0.429 12.415 1.00 0.00 N ATOM 0 H ARG A 562 -11.646 -4.487 7.532 1.00 0.00 H new ATOM 0 HA ARG A 562 -14.452 -4.464 8.120 1.00 0.00 H new ATOM 0 HB2 ARG A 562 -12.726 -4.455 9.854 1.00 0.00 H new ATOM 0 HB3 ARG A 562 -12.028 -2.982 9.210 1.00 0.00 H new ATOM 0 HG2 ARG A 562 -14.899 -2.679 9.807 1.00 0.00 H new ATOM 0 HG3 ARG A 562 -13.979 -3.159 11.219 1.00 0.00 H new ATOM 0 HD2 ARG A 562 -12.551 -1.228 11.088 1.00 0.00 H new ATOM 0 HD3 ARG A 562 -13.048 -0.867 9.447 1.00 0.00 H new ATOM 0 HE ARG A 562 -14.815 0.348 10.275 1.00 0.00 H new ATOM 0 HH11 ARG A 562 -13.736 -1.809 12.873 1.00 0.00 H new ATOM 0 HH12 ARG A 562 -14.932 -1.191 14.017 1.00 0.00 H new ATOM 0 HH21 ARG A 562 -16.387 1.044 11.690 1.00 0.00 H new ATOM 0 HH22 ARG A 562 -16.436 0.428 13.345 1.00 0.00 H new ATOM 854 N LYS A 563 -13.117 -1.701 6.878 1.00 0.00 N ATOM 855 CA LYS A 563 -13.397 -0.394 6.308 1.00 0.00 C ATOM 856 C LYS A 563 -14.344 -0.565 5.131 1.00 0.00 C ATOM 857 O LYS A 563 -15.443 -0.009 5.127 1.00 0.00 O ATOM 858 CB LYS A 563 -12.075 0.264 5.876 1.00 0.00 C ATOM 859 CG LYS A 563 -12.248 1.736 5.485 1.00 0.00 C ATOM 860 CD LYS A 563 -12.021 2.680 6.667 1.00 0.00 C ATOM 861 CE LYS A 563 -10.538 2.689 7.052 1.00 0.00 C ATOM 862 NZ LYS A 563 -10.247 3.675 8.111 1.00 0.00 N ATOM 0 H LYS A 563 -12.119 -1.898 6.954 1.00 0.00 H new ATOM 0 HA LYS A 563 -13.873 0.254 7.043 1.00 0.00 H new ATOM 0 HB2 LYS A 563 -11.354 0.191 6.690 1.00 0.00 H new ATOM 0 HB3 LYS A 563 -11.659 -0.286 5.032 1.00 0.00 H new ATOM 0 HG2 LYS A 563 -11.548 1.982 4.686 1.00 0.00 H new ATOM 0 HG3 LYS A 563 -13.252 1.889 5.088 1.00 0.00 H new ATOM 0 HD2 LYS A 563 -12.344 3.688 6.406 1.00 0.00 H new ATOM 0 HD3 LYS A 563 -12.624 2.363 7.518 1.00 0.00 H new ATOM 0 HE2 LYS A 563 -10.246 1.695 7.392 1.00 0.00 H new ATOM 0 HE3 LYS A 563 -9.936 2.915 6.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 563 -9.236 3.636 8.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 563 -10.486 4.629 7.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 563 -10.814 3.456 8.955 1.00 0.00 H new ATOM 876 N TYR A 564 -13.920 -1.363 4.161 1.00 0.00 N ATOM 877 CA TYR A 564 -14.626 -1.599 2.926 1.00 0.00 C ATOM 878 C TYR A 564 -15.480 -2.851 3.141 1.00 0.00 C ATOM 879 O TYR A 564 -15.144 -3.923 2.649 1.00 0.00 O ATOM 880 CB TYR A 564 -13.616 -1.711 1.772 1.00 0.00 C ATOM 881 CG TYR A 564 -12.673 -0.523 1.581 1.00 0.00 C ATOM 882 CD1 TYR A 564 -11.489 -0.393 2.342 1.00 0.00 C ATOM 883 CD2 TYR A 564 -12.982 0.455 0.619 1.00 0.00 C ATOM 884 CE1 TYR A 564 -10.686 0.760 2.234 1.00 0.00 C ATOM 885 CE2 TYR A 564 -12.189 1.608 0.485 1.00 0.00 C ATOM 886 CZ TYR A 564 -11.088 1.797 1.357 1.00 0.00 C ATOM 887 OH TYR A 564 -10.397 2.962 1.395 1.00 0.00 O ATOM 0 H TYR A 564 -13.042 -1.879 4.222 1.00 0.00 H new ATOM 0 HA TYR A 564 -15.289 -0.780 2.648 1.00 0.00 H new ATOM 0 HB2 TYR A 564 -13.013 -2.605 1.931 1.00 0.00 H new ATOM 0 HB3 TYR A 564 -14.170 -1.861 0.845 1.00 0.00 H new ATOM 0 HD1 TYR A 564 -11.196 -1.186 3.014 1.00 0.00 H new ATOM 0 HD2 TYR A 564 -13.839 0.319 -0.024 1.00 0.00 H new ATOM 0 HE1 TYR A 564 -9.778 0.852 2.811 1.00 0.00 H new ATOM 0 HE2 TYR A 564 -12.416 2.342 -0.274 1.00 0.00 H new ATOM 0 HH TYR A 564 -11.020 3.714 1.313 1.00 0.00 H new ATOM 897 N LYS A 565 -16.538 -2.738 3.954 1.00 0.00 N ATOM 898 CA LYS A 565 -17.336 -3.868 4.421 1.00 0.00 C ATOM 899 C LYS A 565 -17.862 -4.714 3.256 1.00 0.00 C ATOM 900 O LYS A 565 -18.151 -4.175 2.190 1.00 0.00 O ATOM 901 CB LYS A 565 -18.438 -3.348 5.357 1.00 0.00 C ATOM 902 CG LYS A 565 -19.667 -2.898 4.573 1.00 0.00 C ATOM 903 CD LYS A 565 -20.809 -2.334 5.409 1.00 0.00 C ATOM 904 CE LYS A 565 -21.528 -3.436 6.180 1.00 0.00 C ATOM 905 NZ LYS A 565 -22.524 -2.852 7.091 1.00 0.00 N ATOM 0 H LYS A 565 -16.866 -1.840 4.310 1.00 0.00 H new ATOM 0 HA LYS A 565 -16.710 -4.551 4.995 1.00 0.00 H new ATOM 0 HB2 LYS A 565 -18.720 -4.132 6.060 1.00 0.00 H new ATOM 0 HB3 LYS A 565 -18.054 -2.514 5.945 1.00 0.00 H new ATOM 0 HG2 LYS A 565 -19.359 -2.140 3.852 1.00 0.00 H new ATOM 0 HG3 LYS A 565 -20.043 -3.747 4.002 1.00 0.00 H new ATOM 0 HD2 LYS A 565 -20.420 -1.593 6.107 1.00 0.00 H new ATOM 0 HD3 LYS A 565 -21.518 -1.819 4.760 1.00 0.00 H new ATOM 0 HE2 LYS A 565 -22.017 -4.117 5.484 1.00 0.00 H new ATOM 0 HE3 LYS A 565 -20.806 -4.024 6.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 565 -23.007 -3.612 7.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 565 -22.048 -2.219 7.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 565 -23.222 -2.311 6.542 1.00 0.00 H new ATOM 919 N GLY A 566 -18.091 -6.005 3.491 1.00 0.00 N ATOM 920 CA GLY A 566 -18.749 -6.900 2.541 1.00 0.00 C ATOM 921 C GLY A 566 -17.769 -7.645 1.639 1.00 0.00 C ATOM 922 O GLY A 566 -18.109 -8.709 1.118 1.00 0.00 O ATOM 0 H GLY A 566 -17.820 -6.465 4.360 1.00 0.00 H new ATOM 0 HA2 GLY A 566 -19.350 -7.625 3.091 1.00 0.00 H new ATOM 0 HA3 GLY A 566 -19.435 -6.322 1.922 1.00 0.00 H new ATOM 926 N ILE A 567 -16.551 -7.129 1.487 1.00 0.00 N ATOM 927 CA ILE A 567 -15.432 -7.795 0.836 1.00 0.00 C ATOM 928 C ILE A 567 -15.054 -9.052 1.655 1.00 0.00 C ATOM 929 O ILE A 567 -15.284 -9.054 2.869 1.00 0.00 O ATOM 930 CB ILE A 567 -14.320 -6.728 0.764 1.00 0.00 C ATOM 931 CG1 ILE A 567 -13.349 -6.983 -0.389 1.00 0.00 C ATOM 932 CG2 ILE A 567 -13.619 -6.461 2.104 1.00 0.00 C ATOM 933 CD1 ILE A 567 -12.025 -6.210 -0.241 1.00 0.00 C ATOM 0 H ILE A 567 -16.310 -6.199 1.829 1.00 0.00 H new ATOM 0 HA ILE A 567 -15.644 -8.159 -0.169 1.00 0.00 H new ATOM 0 HB ILE A 567 -14.828 -5.790 0.538 1.00 0.00 H new ATOM 0 HG12 ILE A 567 -13.136 -8.050 -0.448 1.00 0.00 H new ATOM 0 HG13 ILE A 567 -13.826 -6.701 -1.328 1.00 0.00 H new ATOM 0 HG21 ILE A 567 -12.851 -5.699 1.968 1.00 0.00 H new ATOM 0 HG22 ILE A 567 -14.350 -6.113 2.834 1.00 0.00 H new ATOM 0 HG23 ILE A 567 -13.157 -7.381 2.463 1.00 0.00 H new ATOM 0 HD11 ILE A 567 -11.377 -6.432 -1.089 1.00 0.00 H new ATOM 0 HD12 ILE A 567 -12.230 -5.140 -0.211 1.00 0.00 H new ATOM 0 HD13 ILE A 567 -11.529 -6.511 0.682 1.00 0.00 H new ATOM 945 N LYS A 568 -14.443 -10.105 1.073 1.00 0.00 N ATOM 946 CA LYS A 568 -14.142 -11.333 1.852 1.00 0.00 C ATOM 947 C LYS A 568 -12.767 -11.980 1.607 1.00 0.00 C ATOM 948 O LYS A 568 -12.612 -13.195 1.687 1.00 0.00 O ATOM 949 CB LYS A 568 -15.331 -12.310 1.737 1.00 0.00 C ATOM 950 CG LYS A 568 -15.256 -13.422 2.800 1.00 0.00 C ATOM 951 CD LYS A 568 -16.607 -13.857 3.363 1.00 0.00 C ATOM 952 CE LYS A 568 -16.288 -14.831 4.501 1.00 0.00 C ATOM 953 NZ LYS A 568 -17.493 -15.416 5.114 1.00 0.00 N ATOM 0 H LYS A 568 -14.154 -10.136 0.095 1.00 0.00 H new ATOM 0 HA LYS A 568 -14.033 -11.023 2.891 1.00 0.00 H new ATOM 0 HB2 LYS A 568 -16.266 -11.761 1.849 1.00 0.00 H new ATOM 0 HB3 LYS A 568 -15.341 -12.756 0.743 1.00 0.00 H new ATOM 0 HG2 LYS A 568 -14.763 -14.291 2.364 1.00 0.00 H new ATOM 0 HG3 LYS A 568 -14.628 -13.078 3.622 1.00 0.00 H new ATOM 0 HD2 LYS A 568 -17.173 -13.000 3.728 1.00 0.00 H new ATOM 0 HD3 LYS A 568 -17.215 -14.337 2.596 1.00 0.00 H new ATOM 0 HE2 LYS A 568 -15.656 -15.633 4.119 1.00 0.00 H new ATOM 0 HE3 LYS A 568 -15.714 -14.310 5.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 -17.214 -16.066 5.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 -18.087 -14.657 5.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 -18.030 -15.939 4.393 1.00 0.00 H new ATOM 967 N ILE A 569 -11.720 -11.152 1.536 1.00 0.00 N ATOM 968 CA ILE A 569 -10.381 -11.462 1.013 1.00 0.00 C ATOM 969 C ILE A 569 -10.450 -12.078 -0.403 1.00 0.00 C ATOM 970 O ILE A 569 -11.451 -12.670 -0.794 1.00 0.00 O ATOM 971 CB ILE A 569 -9.525 -12.237 2.024 1.00 0.00 C ATOM 972 CG1 ILE A 569 -9.411 -11.536 3.395 1.00 0.00 C ATOM 973 CG2 ILE A 569 -8.110 -12.417 1.444 1.00 0.00 C ATOM 974 CD1 ILE A 569 -8.755 -10.150 3.335 1.00 0.00 C ATOM 0 H ILE A 569 -11.786 -10.188 1.862 1.00 0.00 H new ATOM 0 HA ILE A 569 -9.843 -10.524 0.880 1.00 0.00 H new ATOM 0 HB ILE A 569 -10.019 -13.194 2.192 1.00 0.00 H new ATOM 0 HG12 ILE A 569 -10.408 -11.436 3.825 1.00 0.00 H new ATOM 0 HG13 ILE A 569 -8.835 -12.170 4.069 1.00 0.00 H new ATOM 0 HG21 ILE A 569 -7.493 -12.967 2.155 1.00 0.00 H new ATOM 0 HG22 ILE A 569 -8.168 -12.973 0.508 1.00 0.00 H new ATOM 0 HG23 ILE A 569 -7.666 -11.439 1.258 1.00 0.00 H new ATOM 0 HD11 ILE A 569 -8.712 -9.724 4.337 1.00 0.00 H new ATOM 0 HD12 ILE A 569 -7.745 -10.243 2.937 1.00 0.00 H new ATOM 0 HD13 ILE A 569 -9.342 -9.497 2.688 1.00 0.00 H new ATOM 986 N GLN A 570 -9.447 -11.779 -1.230 1.00 0.00 N ATOM 987 CA GLN A 570 -9.351 -12.155 -2.626 1.00 0.00 C ATOM 988 C GLN A 570 -7.863 -12.424 -2.911 1.00 0.00 C ATOM 989 O GLN A 570 -7.055 -12.357 -1.983 1.00 0.00 O ATOM 990 CB GLN A 570 -9.881 -10.998 -3.488 1.00 0.00 C ATOM 991 CG GLN A 570 -11.143 -10.249 -2.992 1.00 0.00 C ATOM 992 CD GLN A 570 -10.843 -9.103 -2.030 1.00 0.00 C ATOM 993 OE1 GLN A 570 -10.421 -8.048 -2.435 1.00 0.00 O ATOM 994 NE2 GLN A 570 -11.046 -9.178 -0.724 1.00 0.00 N ATOM 0 H GLN A 570 -8.640 -11.238 -0.919 1.00 0.00 H new ATOM 0 HA GLN A 570 -9.940 -13.043 -2.856 1.00 0.00 H new ATOM 0 HB2 GLN A 570 -9.079 -10.268 -3.598 1.00 0.00 H new ATOM 0 HB3 GLN A 570 -10.093 -11.391 -4.482 1.00 0.00 H new ATOM 0 HG2 GLN A 570 -11.682 -9.855 -3.854 1.00 0.00 H new ATOM 0 HG3 GLN A 570 -11.806 -10.960 -2.499 1.00 0.00 H new ATOM 0 HE21 GLN A 570 -11.402 -10.040 -0.312 1.00 0.00 H new ATOM 0 HE22 GLN A 570 -10.846 -8.373 -0.130 1.00 0.00 H new ATOM 1003 N GLU A 571 -7.478 -12.659 -4.161 1.00 0.00 N ATOM 1004 CA GLU A 571 -6.098 -12.620 -4.636 1.00 0.00 C ATOM 1005 C GLU A 571 -6.053 -11.768 -5.912 1.00 0.00 C ATOM 1006 O GLU A 571 -7.100 -11.501 -6.513 1.00 0.00 O ATOM 1007 CB GLU A 571 -5.655 -14.062 -4.907 1.00 0.00 C ATOM 1008 CG GLU A 571 -4.139 -14.296 -4.925 1.00 0.00 C ATOM 1009 CD GLU A 571 -3.818 -15.671 -5.517 1.00 0.00 C ATOM 1010 OE1 GLU A 571 -4.401 -16.691 -5.071 1.00 0.00 O ATOM 1011 OE2 GLU A 571 -3.003 -15.764 -6.454 1.00 0.00 O ATOM 0 H GLU A 571 -8.143 -12.891 -4.899 1.00 0.00 H new ATOM 0 HA GLU A 571 -5.425 -12.177 -3.902 1.00 0.00 H new ATOM 0 HB2 GLU A 571 -6.095 -14.708 -4.147 1.00 0.00 H new ATOM 0 HB3 GLU A 571 -6.065 -14.375 -5.867 1.00 0.00 H new ATOM 0 HG2 GLU A 571 -3.651 -13.518 -5.512 1.00 0.00 H new ATOM 0 HG3 GLU A 571 -3.742 -14.227 -3.912 1.00 0.00 H new ATOM 1018 N GLY A 572 -4.860 -11.375 -6.351 1.00 0.00 N ATOM 1019 CA GLY A 572 -4.672 -10.597 -7.565 1.00 0.00 C ATOM 1020 C GLY A 572 -4.963 -9.122 -7.327 1.00 0.00 C ATOM 1021 O GLY A 572 -4.956 -8.621 -6.202 1.00 0.00 O ATOM 0 H GLY A 572 -3.989 -11.592 -5.866 1.00 0.00 H new ATOM 0 HA2 GLY A 572 -3.648 -10.715 -7.920 1.00 0.00 H new ATOM 0 HA3 GLY A 572 -5.327 -10.977 -8.348 1.00 0.00 H new ATOM 1025 N ILE A 573 -5.186 -8.404 -8.421 1.00 0.00 N ATOM 1026 CA ILE A 573 -5.764 -7.070 -8.404 1.00 0.00 C ATOM 1027 C ILE A 573 -7.105 -7.178 -7.676 1.00 0.00 C ATOM 1028 O ILE A 573 -7.903 -8.081 -7.956 1.00 0.00 O ATOM 1029 CB ILE A 573 -5.874 -6.573 -9.861 1.00 0.00 C ATOM 1030 CG1 ILE A 573 -4.468 -6.129 -10.323 1.00 0.00 C ATOM 1031 CG2 ILE A 573 -6.885 -5.421 -10.049 1.00 0.00 C ATOM 1032 CD1 ILE A 573 -4.263 -6.268 -11.831 1.00 0.00 C ATOM 0 H ILE A 573 -4.966 -8.740 -9.359 1.00 0.00 H new ATOM 0 HA ILE A 573 -5.157 -6.335 -7.875 1.00 0.00 H new ATOM 0 HB ILE A 573 -6.252 -7.397 -10.467 1.00 0.00 H new ATOM 0 HG12 ILE A 573 -4.308 -5.090 -10.034 1.00 0.00 H new ATOM 0 HG13 ILE A 573 -3.716 -6.723 -9.803 1.00 0.00 H new ATOM 0 HG21 ILE A 573 -6.908 -5.125 -11.098 1.00 0.00 H new ATOM 0 HG22 ILE A 573 -7.877 -5.754 -9.744 1.00 0.00 H new ATOM 0 HG23 ILE A 573 -6.585 -4.570 -9.438 1.00 0.00 H new ATOM 0 HD11 ILE A 573 -3.257 -5.941 -12.093 1.00 0.00 H new ATOM 0 HD12 ILE A 573 -4.392 -7.311 -12.121 1.00 0.00 H new ATOM 0 HD13 ILE A 573 -4.993 -5.652 -12.356 1.00 0.00 H new ATOM 1044 N VAL A 574 -7.343 -6.257 -6.750 1.00 0.00 N ATOM 1045 CA VAL A 574 -8.551 -6.146 -5.971 1.00 0.00 C ATOM 1046 C VAL A 574 -9.141 -4.786 -6.289 1.00 0.00 C ATOM 1047 O VAL A 574 -8.470 -3.765 -6.208 1.00 0.00 O ATOM 1048 CB VAL A 574 -8.168 -6.360 -4.490 1.00 0.00 C ATOM 1049 CG1 VAL A 574 -9.147 -5.688 -3.517 1.00 0.00 C ATOM 1050 CG2 VAL A 574 -8.038 -7.871 -4.237 1.00 0.00 C ATOM 0 H VAL A 574 -6.660 -5.536 -6.517 1.00 0.00 H new ATOM 0 HA VAL A 574 -9.313 -6.891 -6.199 1.00 0.00 H new ATOM 0 HB VAL A 574 -7.211 -5.875 -4.298 1.00 0.00 H new ATOM 0 HG11 VAL A 574 -8.826 -5.873 -2.492 1.00 0.00 H new ATOM 0 HG12 VAL A 574 -9.165 -4.614 -3.703 1.00 0.00 H new ATOM 0 HG13 VAL A 574 -10.146 -6.099 -3.664 1.00 0.00 H new ATOM 0 HG21 VAL A 574 -7.768 -8.044 -3.195 1.00 0.00 H new ATOM 0 HG22 VAL A 574 -8.989 -8.359 -4.451 1.00 0.00 H new ATOM 0 HG23 VAL A 574 -7.265 -8.283 -4.886 1.00 0.00 H new ATOM 1060 N ASP A 575 -10.416 -4.762 -6.647 1.00 0.00 N ATOM 1061 CA ASP A 575 -11.185 -3.547 -6.818 1.00 0.00 C ATOM 1062 C ASP A 575 -12.358 -3.645 -5.864 1.00 0.00 C ATOM 1063 O ASP A 575 -13.292 -4.419 -6.099 1.00 0.00 O ATOM 1064 CB ASP A 575 -11.660 -3.405 -8.263 1.00 0.00 C ATOM 1065 CG ASP A 575 -12.504 -2.136 -8.442 1.00 0.00 C ATOM 1066 OD1 ASP A 575 -12.611 -1.322 -7.498 1.00 0.00 O ATOM 1067 OD2 ASP A 575 -12.861 -1.870 -9.616 1.00 0.00 O ATOM 0 H ASP A 575 -10.954 -5.609 -6.830 1.00 0.00 H new ATOM 0 HA ASP A 575 -10.582 -2.665 -6.602 1.00 0.00 H new ATOM 0 HB2 ASP A 575 -10.799 -3.371 -8.931 1.00 0.00 H new ATOM 0 HB3 ASP A 575 -12.247 -4.279 -8.544 1.00 0.00 H new ATOM 1072 N TYR A 576 -12.276 -2.925 -4.747 1.00 0.00 N ATOM 1073 CA TYR A 576 -13.410 -2.774 -3.854 1.00 0.00 C ATOM 1074 C TYR A 576 -13.462 -1.356 -3.262 1.00 0.00 C ATOM 1075 O TYR A 576 -14.002 -1.127 -2.175 1.00 0.00 O ATOM 1076 CB TYR A 576 -13.356 -3.932 -2.831 1.00 0.00 C ATOM 1077 CG TYR A 576 -14.716 -4.289 -2.301 1.00 0.00 C ATOM 1078 CD1 TYR A 576 -15.584 -5.139 -3.007 1.00 0.00 C ATOM 1079 CD2 TYR A 576 -15.096 -3.762 -1.068 1.00 0.00 C ATOM 1080 CE1 TYR A 576 -16.836 -5.460 -2.455 1.00 0.00 C ATOM 1081 CE2 TYR A 576 -16.347 -4.044 -0.520 1.00 0.00 C ATOM 1082 CZ TYR A 576 -17.231 -4.899 -1.218 1.00 0.00 C ATOM 1083 OH TYR A 576 -18.458 -5.172 -0.711 1.00 0.00 O ATOM 0 H TYR A 576 -11.432 -2.439 -4.443 1.00 0.00 H new ATOM 0 HA TYR A 576 -14.362 -2.858 -4.379 1.00 0.00 H new ATOM 0 HB2 TYR A 576 -12.910 -4.809 -3.301 1.00 0.00 H new ATOM 0 HB3 TYR A 576 -12.708 -3.651 -2.001 1.00 0.00 H new ATOM 0 HD1 TYR A 576 -15.292 -5.542 -3.965 1.00 0.00 H new ATOM 0 HD2 TYR A 576 -14.411 -3.125 -0.528 1.00 0.00 H new ATOM 0 HE1 TYR A 576 -17.498 -6.136 -2.976 1.00 0.00 H new ATOM 0 HE2 TYR A 576 -16.638 -3.614 0.427 1.00 0.00 H new ATOM 0 HH TYR A 576 -18.497 -4.882 0.224 1.00 0.00 H new ATOM 1093 N GLY A 577 -12.884 -0.378 -3.963 1.00 0.00 N ATOM 1094 CA GLY A 577 -12.549 0.934 -3.415 1.00 0.00 C ATOM 1095 C GLY A 577 -11.169 1.373 -3.885 1.00 0.00 C ATOM 1096 O GLY A 577 -10.954 1.832 -5.012 1.00 0.00 O ATOM 0 H GLY A 577 -12.632 -0.480 -4.946 1.00 0.00 H new ATOM 0 HA2 GLY A 577 -13.295 1.665 -3.726 1.00 0.00 H new ATOM 0 HA3 GLY A 577 -12.574 0.897 -2.326 1.00 0.00 H new ATOM 1100 N VAL A 578 -10.206 1.185 -2.998 1.00 0.00 N ATOM 1101 CA VAL A 578 -8.816 1.617 -3.044 1.00 0.00 C ATOM 1102 C VAL A 578 -7.884 0.753 -3.913 1.00 0.00 C ATOM 1103 O VAL A 578 -6.820 0.313 -3.499 1.00 0.00 O ATOM 1104 CB VAL A 578 -8.275 2.089 -1.703 1.00 0.00 C ATOM 1105 CG1 VAL A 578 -6.830 2.486 -1.975 1.00 0.00 C ATOM 1106 CG2 VAL A 578 -9.022 3.342 -1.276 1.00 0.00 C ATOM 0 H VAL A 578 -10.398 0.672 -2.137 1.00 0.00 H new ATOM 0 HA VAL A 578 -8.827 2.536 -3.630 1.00 0.00 H new ATOM 0 HB VAL A 578 -8.375 1.324 -0.933 1.00 0.00 H new ATOM 0 HG11 VAL A 578 -6.370 2.839 -1.052 1.00 0.00 H new ATOM 0 HG12 VAL A 578 -6.279 1.622 -2.348 1.00 0.00 H new ATOM 0 HG13 VAL A 578 -6.805 3.281 -2.720 1.00 0.00 H new ATOM 0 HG21 VAL A 578 -8.638 3.685 -0.315 1.00 0.00 H new ATOM 0 HG22 VAL A 578 -8.880 4.123 -2.023 1.00 0.00 H new ATOM 0 HG23 VAL A 578 -10.085 3.118 -1.183 1.00 0.00 H new ATOM 1116 N ARG A 579 -8.446 0.193 -4.942 1.00 0.00 N ATOM 1117 CA ARG A 579 -7.816 -0.660 -5.949 1.00 0.00 C ATOM 1118 C ARG A 579 -6.557 -1.355 -5.453 1.00 0.00 C ATOM 1119 O ARG A 579 -5.445 -0.896 -5.738 1.00 0.00 O ATOM 1120 CB ARG A 579 -7.600 -0.015 -7.322 1.00 0.00 C ATOM 1121 CG ARG A 579 -8.904 0.269 -8.067 1.00 0.00 C ATOM 1122 CD ARG A 579 -9.535 -0.936 -8.742 1.00 0.00 C ATOM 1123 NE ARG A 579 -8.886 -1.248 -10.022 1.00 0.00 N ATOM 1124 CZ ARG A 579 -9.467 -1.298 -11.224 1.00 0.00 C ATOM 1125 NH1 ARG A 579 -10.789 -1.371 -11.393 1.00 0.00 N ATOM 1126 NH2 ARG A 579 -8.673 -1.274 -12.283 1.00 0.00 N ATOM 0 H ARG A 579 -9.440 0.322 -5.129 1.00 0.00 H new ATOM 0 HA ARG A 579 -8.571 -1.428 -6.115 1.00 0.00 H new ATOM 0 HB2 ARG A 579 -7.051 0.918 -7.195 1.00 0.00 H new ATOM 0 HB3 ARG A 579 -6.977 -0.671 -7.930 1.00 0.00 H new ATOM 0 HG2 ARG A 579 -9.622 0.689 -7.363 1.00 0.00 H new ATOM 0 HG3 ARG A 579 -8.714 1.031 -8.823 1.00 0.00 H new ATOM 0 HD2 ARG A 579 -9.467 -1.800 -8.080 1.00 0.00 H new ATOM 0 HD3 ARG A 579 -10.595 -0.745 -8.909 1.00 0.00 H new ATOM 0 HE ARG A 579 -7.886 -1.448 -9.990 1.00 0.00 H new ATOM 0 HH11 ARG A 579 -11.407 -1.391 -10.581 1.00 0.00 H new ATOM 0 HH12 ARG A 579 -11.182 -1.407 -12.334 1.00 0.00 H new ATOM 0 HH21 ARG A 579 -7.662 -1.219 -12.161 1.00 0.00 H new ATOM 0 HH22 ARG A 579 -9.072 -1.310 -13.221 1.00 0.00 H new ATOM 1140 N PHE A 580 -6.743 -2.325 -4.576 1.00 0.00 N ATOM 1141 CA PHE A 580 -5.638 -2.936 -3.890 1.00 0.00 C ATOM 1142 C PHE A 580 -4.970 -3.946 -4.835 1.00 0.00 C ATOM 1143 O PHE A 580 -5.520 -4.290 -5.881 1.00 0.00 O ATOM 1144 CB PHE A 580 -6.133 -3.548 -2.574 1.00 0.00 C ATOM 1145 CG PHE A 580 -6.640 -2.559 -1.510 1.00 0.00 C ATOM 1146 CD1 PHE A 580 -5.742 -1.745 -0.790 1.00 0.00 C ATOM 1147 CD2 PHE A 580 -8.014 -2.456 -1.203 1.00 0.00 C ATOM 1148 CE1 PHE A 580 -6.182 -0.912 0.254 1.00 0.00 C ATOM 1149 CE2 PHE A 580 -8.471 -1.564 -0.211 1.00 0.00 C ATOM 1150 CZ PHE A 580 -7.555 -0.796 0.536 1.00 0.00 C ATOM 0 H PHE A 580 -7.657 -2.703 -4.327 1.00 0.00 H new ATOM 0 HA PHE A 580 -4.877 -2.204 -3.618 1.00 0.00 H new ATOM 0 HB2 PHE A 580 -6.938 -4.246 -2.803 1.00 0.00 H new ATOM 0 HB3 PHE A 580 -5.320 -4.130 -2.140 1.00 0.00 H new ATOM 0 HD1 PHE A 580 -4.693 -1.762 -1.046 1.00 0.00 H new ATOM 0 HD2 PHE A 580 -8.726 -3.069 -1.736 1.00 0.00 H new ATOM 0 HE1 PHE A 580 -5.463 -0.360 0.841 1.00 0.00 H new ATOM 0 HE2 PHE A 580 -9.530 -1.469 -0.022 1.00 0.00 H new ATOM 0 HZ PHE A 580 -7.902 -0.130 1.312 1.00 0.00 H new ATOM 1160 N PHE A 581 -3.804 -4.477 -4.471 1.00 0.00 N ATOM 1161 CA PHE A 581 -3.209 -5.624 -5.153 1.00 0.00 C ATOM 1162 C PHE A 581 -2.750 -6.611 -4.087 1.00 0.00 C ATOM 1163 O PHE A 581 -1.864 -6.260 -3.311 1.00 0.00 O ATOM 1164 CB PHE A 581 -2.071 -5.187 -6.076 1.00 0.00 C ATOM 1165 CG PHE A 581 -1.138 -6.303 -6.511 1.00 0.00 C ATOM 1166 CD1 PHE A 581 -1.526 -7.208 -7.512 1.00 0.00 C ATOM 1167 CD2 PHE A 581 0.164 -6.374 -5.981 1.00 0.00 C ATOM 1168 CE1 PHE A 581 -0.624 -8.190 -7.958 1.00 0.00 C ATOM 1169 CE2 PHE A 581 1.070 -7.352 -6.421 1.00 0.00 C ATOM 1170 CZ PHE A 581 0.664 -8.280 -7.398 1.00 0.00 C ATOM 0 H PHE A 581 -3.245 -4.124 -3.694 1.00 0.00 H new ATOM 0 HA PHE A 581 -3.941 -6.109 -5.799 1.00 0.00 H new ATOM 0 HB2 PHE A 581 -2.500 -4.725 -6.965 1.00 0.00 H new ATOM 0 HB3 PHE A 581 -1.485 -4.420 -5.569 1.00 0.00 H new ATOM 0 HD1 PHE A 581 -2.516 -7.150 -7.939 1.00 0.00 H new ATOM 0 HD2 PHE A 581 0.470 -5.666 -5.225 1.00 0.00 H new ATOM 0 HE1 PHE A 581 -0.921 -8.879 -8.735 1.00 0.00 H new ATOM 0 HE2 PHE A 581 2.069 -7.392 -6.013 1.00 0.00 H new ATOM 0 HZ PHE A 581 1.340 -9.060 -7.717 1.00 0.00 H new ATOM 1180 N PHE A 582 -3.381 -7.783 -4.011 1.00 0.00 N ATOM 1181 CA PHE A 582 -3.142 -8.835 -3.033 1.00 0.00 C ATOM 1182 C PHE A 582 -2.288 -9.944 -3.649 1.00 0.00 C ATOM 1183 O PHE A 582 -2.682 -10.572 -4.633 1.00 0.00 O ATOM 1184 CB PHE A 582 -4.482 -9.394 -2.526 1.00 0.00 C ATOM 1185 CG PHE A 582 -5.342 -8.493 -1.647 1.00 0.00 C ATOM 1186 CD1 PHE A 582 -4.966 -7.180 -1.296 1.00 0.00 C ATOM 1187 CD2 PHE A 582 -6.562 -8.999 -1.165 1.00 0.00 C ATOM 1188 CE1 PHE A 582 -5.797 -6.396 -0.473 1.00 0.00 C ATOM 1189 CE2 PHE A 582 -7.405 -8.212 -0.364 1.00 0.00 C ATOM 1190 CZ PHE A 582 -7.017 -6.909 -0.009 1.00 0.00 C ATOM 0 H PHE A 582 -4.116 -8.035 -4.672 1.00 0.00 H new ATOM 0 HA PHE A 582 -2.599 -8.418 -2.185 1.00 0.00 H new ATOM 0 HB2 PHE A 582 -5.076 -9.680 -3.394 1.00 0.00 H new ATOM 0 HB3 PHE A 582 -4.274 -10.307 -1.968 1.00 0.00 H new ATOM 0 HD1 PHE A 582 -4.034 -6.773 -1.661 1.00 0.00 H new ATOM 0 HD2 PHE A 582 -6.855 -10.008 -1.415 1.00 0.00 H new ATOM 0 HE1 PHE A 582 -5.494 -5.396 -0.198 1.00 0.00 H new ATOM 0 HE2 PHE A 582 -8.350 -8.607 -0.021 1.00 0.00 H new ATOM 0 HZ PHE A 582 -7.656 -6.305 0.619 1.00 0.00 H new ATOM 1200 N TYR A 583 -1.142 -10.214 -3.033 1.00 0.00 N ATOM 1201 CA TYR A 583 -0.155 -11.220 -3.415 1.00 0.00 C ATOM 1202 C TYR A 583 0.228 -12.008 -2.162 1.00 0.00 C ATOM 1203 O TYR A 583 -0.008 -11.549 -1.038 1.00 0.00 O ATOM 1204 CB TYR A 583 1.069 -10.532 -4.040 1.00 0.00 C ATOM 1205 CG TYR A 583 1.600 -9.393 -3.187 1.00 0.00 C ATOM 1206 CD1 TYR A 583 0.994 -8.129 -3.278 1.00 0.00 C ATOM 1207 CD2 TYR A 583 2.597 -9.617 -2.221 1.00 0.00 C ATOM 1208 CE1 TYR A 583 1.366 -7.092 -2.416 1.00 0.00 C ATOM 1209 CE2 TYR A 583 2.967 -8.588 -1.337 1.00 0.00 C ATOM 1210 CZ TYR A 583 2.330 -7.330 -1.421 1.00 0.00 C ATOM 1211 OH TYR A 583 2.581 -6.367 -0.501 1.00 0.00 O ATOM 0 H TYR A 583 -0.858 -9.702 -2.198 1.00 0.00 H new ATOM 0 HA TYR A 583 -0.564 -11.905 -4.158 1.00 0.00 H new ATOM 0 HB2 TYR A 583 1.859 -11.269 -4.188 1.00 0.00 H new ATOM 0 HB3 TYR A 583 0.802 -10.149 -5.025 1.00 0.00 H new ATOM 0 HD1 TYR A 583 0.231 -7.956 -4.023 1.00 0.00 H new ATOM 0 HD2 TYR A 583 3.079 -10.581 -2.158 1.00 0.00 H new ATOM 0 HE1 TYR A 583 0.916 -6.115 -2.514 1.00 0.00 H new ATOM 0 HE2 TYR A 583 3.735 -8.759 -0.597 1.00 0.00 H new ATOM 0 HH TYR A 583 1.856 -5.707 -0.512 1.00 0.00 H new ATOM 1221 N THR A 584 0.773 -13.209 -2.353 1.00 0.00 N ATOM 1222 CA THR A 584 0.880 -14.204 -1.300 1.00 0.00 C ATOM 1223 C THR A 584 2.098 -13.952 -0.406 1.00 0.00 C ATOM 1224 O THR A 584 3.054 -13.286 -0.813 1.00 0.00 O ATOM 1225 CB THR A 584 0.909 -15.607 -1.944 1.00 0.00 C ATOM 1226 OG1 THR A 584 1.980 -15.708 -2.858 1.00 0.00 O ATOM 1227 CG2 THR A 584 -0.395 -15.928 -2.687 1.00 0.00 C ATOM 0 H THR A 584 1.153 -13.515 -3.249 1.00 0.00 H new ATOM 0 HA THR A 584 0.012 -14.135 -0.645 1.00 0.00 H new ATOM 0 HB THR A 584 1.034 -16.322 -1.131 1.00 0.00 H new ATOM 0 HG1 THR A 584 1.986 -16.603 -3.257 1.00 0.00 H new ATOM 0 HG21 THR A 584 -0.329 -16.924 -3.124 1.00 0.00 H new ATOM 0 HG22 THR A 584 -1.230 -15.893 -1.988 1.00 0.00 H new ATOM 0 HG23 THR A 584 -0.553 -15.195 -3.478 1.00 0.00 H new ATOM 1235 N SER A 585 2.121 -14.553 0.791 1.00 0.00 N ATOM 1236 CA SER A 585 3.312 -14.519 1.644 1.00 0.00 C ATOM 1237 C SER A 585 4.481 -15.287 1.000 1.00 0.00 C ATOM 1238 O SER A 585 5.640 -15.044 1.345 1.00 0.00 O ATOM 1239 CB SER A 585 2.994 -15.081 3.040 1.00 0.00 C ATOM 1240 OG SER A 585 3.849 -14.509 4.019 1.00 0.00 O ATOM 0 H SER A 585 1.333 -15.065 1.187 1.00 0.00 H new ATOM 0 HA SER A 585 3.617 -13.478 1.753 1.00 0.00 H new ATOM 0 HB2 SER A 585 1.954 -14.874 3.293 1.00 0.00 H new ATOM 0 HB3 SER A 585 3.111 -16.165 3.036 1.00 0.00 H new ATOM 0 HG SER A 585 3.397 -14.509 4.889 1.00 0.00 H new ATOM 1246 N LYS A 586 4.214 -16.219 0.079 1.00 0.00 N ATOM 1247 CA LYS A 586 5.256 -16.978 -0.610 1.00 0.00 C ATOM 1248 C LYS A 586 5.933 -16.134 -1.688 1.00 0.00 C ATOM 1249 O LYS A 586 7.114 -16.355 -1.960 1.00 0.00 O ATOM 1250 CB LYS A 586 4.643 -18.220 -1.266 1.00 0.00 C ATOM 1251 CG LYS A 586 4.251 -19.347 -0.293 1.00 0.00 C ATOM 1252 CD LYS A 586 2.949 -20.003 -0.769 1.00 0.00 C ATOM 1253 CE LYS A 586 2.667 -21.361 -0.116 1.00 0.00 C ATOM 1254 NZ LYS A 586 1.258 -21.763 -0.309 1.00 0.00 N ATOM 0 H LYS A 586 3.267 -16.467 -0.208 1.00 0.00 H new ATOM 0 HA LYS A 586 6.003 -17.270 0.129 1.00 0.00 H new ATOM 0 HB2 LYS A 586 3.756 -17.917 -1.823 1.00 0.00 H new ATOM 0 HB3 LYS A 586 5.354 -18.617 -1.990 1.00 0.00 H new ATOM 0 HG2 LYS A 586 5.047 -20.090 -0.240 1.00 0.00 H new ATOM 0 HG3 LYS A 586 4.122 -18.946 0.712 1.00 0.00 H new ATOM 0 HD2 LYS A 586 2.117 -19.330 -0.561 1.00 0.00 H new ATOM 0 HD3 LYS A 586 2.992 -20.132 -1.850 1.00 0.00 H new ATOM 0 HE2 LYS A 586 3.326 -22.117 -0.543 1.00 0.00 H new ATOM 0 HE3 LYS A 586 2.891 -21.309 0.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 586 1.095 -22.685 0.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 586 0.632 -21.052 0.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 586 1.054 -21.835 -1.326 1.00 0.00 H new ATOM 1268 N GLU A 587 5.217 -15.219 -2.347 1.00 0.00 N ATOM 1269 CA GLU A 587 5.796 -14.480 -3.463 1.00 0.00 C ATOM 1270 C GLU A 587 6.897 -13.545 -2.936 1.00 0.00 C ATOM 1271 O GLU A 587 6.663 -12.847 -1.946 1.00 0.00 O ATOM 1272 CB GLU A 587 4.702 -13.747 -4.252 1.00 0.00 C ATOM 1273 CG GLU A 587 5.303 -13.144 -5.529 1.00 0.00 C ATOM 1274 CD GLU A 587 4.254 -12.932 -6.627 1.00 0.00 C ATOM 1275 OE1 GLU A 587 3.513 -11.934 -6.634 1.00 0.00 O ATOM 1276 OE2 GLU A 587 4.192 -13.788 -7.545 1.00 0.00 O ATOM 0 H GLU A 587 4.250 -14.977 -2.129 1.00 0.00 H new ATOM 0 HA GLU A 587 6.263 -15.167 -4.168 1.00 0.00 H new ATOM 0 HB2 GLU A 587 3.899 -14.438 -4.507 1.00 0.00 H new ATOM 0 HB3 GLU A 587 4.262 -12.961 -3.639 1.00 0.00 H new ATOM 0 HG2 GLU A 587 5.773 -12.190 -5.290 1.00 0.00 H new ATOM 0 HG3 GLU A 587 6.088 -13.801 -5.903 1.00 0.00 H new ATOM 1283 N PRO A 588 8.118 -13.545 -3.505 1.00 0.00 N ATOM 1284 CA PRO A 588 9.212 -12.751 -2.972 1.00 0.00 C ATOM 1285 C PRO A 588 9.072 -11.285 -3.364 1.00 0.00 C ATOM 1286 O PRO A 588 8.481 -10.936 -4.386 1.00 0.00 O ATOM 1287 CB PRO A 588 10.496 -13.355 -3.542 1.00 0.00 C ATOM 1288 CG PRO A 588 10.054 -14.042 -4.827 1.00 0.00 C ATOM 1289 CD PRO A 588 8.575 -14.367 -4.611 1.00 0.00 C ATOM 0 HA PRO A 588 9.218 -12.773 -1.882 1.00 0.00 H new ATOM 0 HB2 PRO A 588 11.243 -12.586 -3.739 1.00 0.00 H new ATOM 0 HB3 PRO A 588 10.944 -14.064 -2.846 1.00 0.00 H new ATOM 0 HG2 PRO A 588 10.194 -13.392 -5.691 1.00 0.00 H new ATOM 0 HG3 PRO A 588 10.634 -14.946 -5.011 1.00 0.00 H new ATOM 0 HD2 PRO A 588 7.998 -14.157 -5.512 1.00 0.00 H new ATOM 0 HD3 PRO A 588 8.441 -15.425 -4.386 1.00 0.00 H new ATOM 1297 N VAL A 589 9.753 -10.441 -2.596 1.00 0.00 N ATOM 1298 CA VAL A 589 9.795 -8.994 -2.753 1.00 0.00 C ATOM 1299 C VAL A 589 10.380 -8.675 -4.136 1.00 0.00 C ATOM 1300 O VAL A 589 9.880 -7.804 -4.839 1.00 0.00 O ATOM 1301 CB VAL A 589 10.618 -8.373 -1.585 1.00 0.00 C ATOM 1302 CG1 VAL A 589 10.484 -6.845 -1.500 1.00 0.00 C ATOM 1303 CG2 VAL A 589 10.229 -8.912 -0.199 1.00 0.00 C ATOM 0 H VAL A 589 10.317 -10.764 -1.810 1.00 0.00 H new ATOM 0 HA VAL A 589 8.798 -8.556 -2.704 1.00 0.00 H new ATOM 0 HB VAL A 589 11.640 -8.662 -1.829 1.00 0.00 H new ATOM 0 HG11 VAL A 589 11.080 -6.473 -0.667 1.00 0.00 H new ATOM 0 HG12 VAL A 589 10.838 -6.397 -2.428 1.00 0.00 H new ATOM 0 HG13 VAL A 589 9.438 -6.580 -1.345 1.00 0.00 H new ATOM 0 HG21 VAL A 589 10.844 -8.434 0.563 1.00 0.00 H new ATOM 0 HG22 VAL A 589 9.178 -8.695 -0.006 1.00 0.00 H new ATOM 0 HG23 VAL A 589 10.388 -9.990 -0.170 1.00 0.00 H new ATOM 1313 N ALA A 590 11.389 -9.438 -4.577 1.00 0.00 N ATOM 1314 CA ALA A 590 11.955 -9.309 -5.912 1.00 0.00 C ATOM 1315 C ALA A 590 10.909 -9.570 -7.003 1.00 0.00 C ATOM 1316 O ALA A 590 10.902 -8.856 -8.006 1.00 0.00 O ATOM 1317 CB ALA A 590 13.143 -10.265 -6.052 1.00 0.00 C ATOM 0 H ALA A 590 11.832 -10.162 -4.011 1.00 0.00 H new ATOM 0 HA ALA A 590 12.298 -8.283 -6.045 1.00 0.00 H new ATOM 0 HB1 ALA A 590 13.570 -10.171 -7.051 1.00 0.00 H new ATOM 0 HB2 ALA A 590 13.900 -10.015 -5.309 1.00 0.00 H new ATOM 0 HB3 ALA A 590 12.806 -11.290 -5.896 1.00 0.00 H new ATOM 1323 N SER A 591 10.016 -10.552 -6.811 1.00 0.00 N ATOM 1324 CA SER A 591 8.982 -10.828 -7.807 1.00 0.00 C ATOM 1325 C SER A 591 7.997 -9.670 -7.862 1.00 0.00 C ATOM 1326 O SER A 591 7.732 -9.154 -8.948 1.00 0.00 O ATOM 1327 CB SER A 591 8.226 -12.128 -7.505 1.00 0.00 C ATOM 1328 OG SER A 591 8.510 -13.133 -8.461 1.00 0.00 O ATOM 0 H SER A 591 9.991 -11.156 -5.989 1.00 0.00 H new ATOM 0 HA SER A 591 9.478 -10.945 -8.771 1.00 0.00 H new ATOM 0 HB2 SER A 591 8.497 -12.484 -6.511 1.00 0.00 H new ATOM 0 HB3 SER A 591 7.154 -11.931 -7.492 1.00 0.00 H new ATOM 0 HG SER A 591 8.013 -13.947 -8.237 1.00 0.00 H new ATOM 1334 N ILE A 592 7.438 -9.269 -6.715 1.00 0.00 N ATOM 1335 CA ILE A 592 6.388 -8.266 -6.738 1.00 0.00 C ATOM 1336 C ILE A 592 6.932 -6.935 -7.257 1.00 0.00 C ATOM 1337 O ILE A 592 6.212 -6.228 -7.944 1.00 0.00 O ATOM 1338 CB ILE A 592 5.663 -8.137 -5.393 1.00 0.00 C ATOM 1339 CG1 ILE A 592 6.476 -7.409 -4.317 1.00 0.00 C ATOM 1340 CG2 ILE A 592 5.237 -9.502 -4.843 1.00 0.00 C ATOM 1341 CD1 ILE A 592 5.976 -5.970 -4.164 1.00 0.00 C ATOM 0 H ILE A 592 7.690 -9.616 -5.789 1.00 0.00 H new ATOM 0 HA ILE A 592 5.622 -8.600 -7.438 1.00 0.00 H new ATOM 0 HB ILE A 592 4.785 -7.531 -5.616 1.00 0.00 H new ATOM 0 HG12 ILE A 592 6.389 -7.935 -3.366 1.00 0.00 H new ATOM 0 HG13 ILE A 592 7.532 -7.409 -4.586 1.00 0.00 H new ATOM 0 HG21 ILE A 592 4.727 -9.367 -3.889 1.00 0.00 H new ATOM 0 HG22 ILE A 592 4.562 -9.985 -5.550 1.00 0.00 H new ATOM 0 HG23 ILE A 592 6.118 -10.127 -4.698 1.00 0.00 H new ATOM 0 HD11 ILE A 592 6.560 -5.461 -3.397 1.00 0.00 H new ATOM 0 HD12 ILE A 592 6.086 -5.444 -5.112 1.00 0.00 H new ATOM 0 HD13 ILE A 592 4.925 -5.979 -3.874 1.00 0.00 H new ATOM 1353 N ILE A 593 8.207 -6.616 -7.010 1.00 0.00 N ATOM 1354 CA ILE A 593 8.864 -5.464 -7.619 1.00 0.00 C ATOM 1355 C ILE A 593 8.721 -5.543 -9.142 1.00 0.00 C ATOM 1356 O ILE A 593 8.089 -4.672 -9.733 1.00 0.00 O ATOM 1357 CB ILE A 593 10.334 -5.363 -7.140 1.00 0.00 C ATOM 1358 CG1 ILE A 593 10.354 -4.759 -5.720 1.00 0.00 C ATOM 1359 CG2 ILE A 593 11.205 -4.545 -8.120 1.00 0.00 C ATOM 1360 CD1 ILE A 593 11.663 -5.014 -4.971 1.00 0.00 C ATOM 0 H ILE A 593 8.808 -7.151 -6.383 1.00 0.00 H new ATOM 0 HA ILE A 593 8.381 -4.540 -7.300 1.00 0.00 H new ATOM 0 HB ILE A 593 10.769 -6.362 -7.113 1.00 0.00 H new ATOM 0 HG12 ILE A 593 10.186 -3.684 -5.788 1.00 0.00 H new ATOM 0 HG13 ILE A 593 9.527 -5.175 -5.144 1.00 0.00 H new ATOM 0 HG21 ILE A 593 12.228 -4.499 -7.746 1.00 0.00 H new ATOM 0 HG22 ILE A 593 11.198 -5.023 -9.099 1.00 0.00 H new ATOM 0 HG23 ILE A 593 10.805 -3.535 -8.207 1.00 0.00 H new ATOM 0 HD11 ILE A 593 11.609 -4.563 -3.980 1.00 0.00 H new ATOM 0 HD12 ILE A 593 11.823 -6.088 -4.872 1.00 0.00 H new ATOM 0 HD13 ILE A 593 12.491 -4.574 -5.526 1.00 0.00 H new ATOM 1372 N THR A 594 9.280 -6.584 -9.764 1.00 0.00 N ATOM 1373 CA THR A 594 9.205 -6.880 -11.195 1.00 0.00 C ATOM 1374 C THR A 594 7.778 -6.680 -11.746 1.00 0.00 C ATOM 1375 O THR A 594 7.565 -6.108 -12.816 1.00 0.00 O ATOM 1376 CB THR A 594 9.772 -8.301 -11.360 1.00 0.00 C ATOM 1377 OG1 THR A 594 11.128 -8.234 -11.763 1.00 0.00 O ATOM 1378 CG2 THR A 594 8.975 -9.223 -12.286 1.00 0.00 C ATOM 0 H THR A 594 9.826 -7.279 -9.255 1.00 0.00 H new ATOM 0 HA THR A 594 9.796 -6.188 -11.796 1.00 0.00 H new ATOM 0 HB THR A 594 9.686 -8.764 -10.377 1.00 0.00 H new ATOM 0 HG1 THR A 594 11.484 -9.141 -11.865 1.00 0.00 H new ATOM 0 HG21 THR A 594 9.459 -10.199 -12.333 1.00 0.00 H new ATOM 0 HG22 THR A 594 7.962 -9.339 -11.900 1.00 0.00 H new ATOM 0 HG23 THR A 594 8.936 -8.789 -13.285 1.00 0.00 H new ATOM 1386 N LYS A 595 6.802 -7.142 -10.978 1.00 0.00 N ATOM 1387 CA LYS A 595 5.381 -7.161 -11.308 1.00 0.00 C ATOM 1388 C LYS A 595 4.787 -5.762 -11.230 1.00 0.00 C ATOM 1389 O LYS A 595 4.072 -5.379 -12.145 1.00 0.00 O ATOM 1390 CB LYS A 595 4.624 -8.071 -10.342 1.00 0.00 C ATOM 1391 CG LYS A 595 4.474 -9.530 -10.770 1.00 0.00 C ATOM 1392 CD LYS A 595 3.536 -10.196 -9.751 1.00 0.00 C ATOM 1393 CE LYS A 595 3.213 -11.638 -10.126 1.00 0.00 C ATOM 1394 NZ LYS A 595 2.346 -12.275 -9.114 1.00 0.00 N ATOM 0 H LYS A 595 6.989 -7.536 -10.056 1.00 0.00 H new ATOM 0 HA LYS A 595 5.282 -7.538 -12.326 1.00 0.00 H new ATOM 0 HB2 LYS A 595 5.133 -8.047 -9.378 1.00 0.00 H new ATOM 0 HB3 LYS A 595 3.629 -7.655 -10.188 1.00 0.00 H new ATOM 0 HG2 LYS A 595 4.062 -9.597 -11.777 1.00 0.00 H new ATOM 0 HG3 LYS A 595 5.443 -10.029 -10.788 1.00 0.00 H new ATOM 0 HD2 LYS A 595 3.999 -10.173 -8.764 1.00 0.00 H new ATOM 0 HD3 LYS A 595 2.611 -9.624 -9.682 1.00 0.00 H new ATOM 0 HE2 LYS A 595 2.719 -11.661 -11.097 1.00 0.00 H new ATOM 0 HE3 LYS A 595 4.138 -12.206 -10.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 595 2.516 -13.301 -9.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 595 2.561 -11.882 -8.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 595 1.349 -12.091 -9.346 1.00 0.00 H new ATOM 1408 N LEU A 596 5.089 -4.976 -10.195 1.00 0.00 N ATOM 1409 CA LEU A 596 4.600 -3.606 -10.081 1.00 0.00 C ATOM 1410 C LEU A 596 5.057 -2.807 -11.292 1.00 0.00 C ATOM 1411 O LEU A 596 4.290 -2.018 -11.827 1.00 0.00 O ATOM 1412 CB LEU A 596 5.088 -2.947 -8.779 1.00 0.00 C ATOM 1413 CG LEU A 596 4.415 -3.511 -7.514 1.00 0.00 C ATOM 1414 CD1 LEU A 596 5.138 -3.004 -6.276 1.00 0.00 C ATOM 1415 CD2 LEU A 596 2.951 -3.110 -7.374 1.00 0.00 C ATOM 0 H LEU A 596 5.677 -5.272 -9.416 1.00 0.00 H new ATOM 0 HA LEU A 596 3.511 -3.623 -10.049 1.00 0.00 H new ATOM 0 HB2 LEU A 596 6.167 -3.079 -8.697 1.00 0.00 H new ATOM 0 HB3 LEU A 596 4.902 -1.874 -8.832 1.00 0.00 H new ATOM 0 HG LEU A 596 4.469 -4.595 -7.609 1.00 0.00 H new ATOM 0 HD11 LEU A 596 4.658 -3.406 -5.384 1.00 0.00 H new ATOM 0 HD12 LEU A 596 6.179 -3.327 -6.305 1.00 0.00 H new ATOM 0 HD13 LEU A 596 5.097 -1.915 -6.251 1.00 0.00 H new ATOM 0 HD21 LEU A 596 2.541 -3.542 -6.461 1.00 0.00 H new ATOM 0 HD22 LEU A 596 2.874 -2.024 -7.327 1.00 0.00 H new ATOM 0 HD23 LEU A 596 2.389 -3.477 -8.233 1.00 0.00 H new ATOM 1427 N ASN A 597 6.270 -3.058 -11.780 1.00 0.00 N ATOM 1428 CA ASN A 597 6.803 -2.410 -12.978 1.00 0.00 C ATOM 1429 C ASN A 597 6.003 -2.774 -14.229 1.00 0.00 C ATOM 1430 O ASN A 597 5.959 -2.018 -15.195 1.00 0.00 O ATOM 1431 CB ASN A 597 8.246 -2.845 -13.219 1.00 0.00 C ATOM 1432 CG ASN A 597 9.101 -2.839 -11.965 1.00 0.00 C ATOM 1433 OD1 ASN A 597 9.006 -1.967 -11.102 1.00 0.00 O ATOM 1434 ND2 ASN A 597 9.965 -3.828 -11.829 1.00 0.00 N ATOM 0 H ASN A 597 6.916 -3.722 -11.353 1.00 0.00 H new ATOM 0 HA ASN A 597 6.739 -1.336 -12.803 1.00 0.00 H new ATOM 0 HB2 ASN A 597 8.248 -3.848 -13.645 1.00 0.00 H new ATOM 0 HB3 ASN A 597 8.697 -2.184 -13.959 1.00 0.00 H new ATOM 0 HD21 ASN A 597 10.561 -3.874 -11.003 1.00 0.00 H new ATOM 0 HD22 ASN A 597 10.036 -4.546 -12.550 1.00 0.00 H new ATOM 1441 N SER A 598 5.373 -3.945 -14.243 1.00 0.00 N ATOM 1442 CA SER A 598 4.484 -4.394 -15.306 1.00 0.00 C ATOM 1443 C SER A 598 3.263 -3.468 -15.414 1.00 0.00 C ATOM 1444 O SER A 598 2.782 -3.238 -16.518 1.00 0.00 O ATOM 1445 CB SER A 598 4.049 -5.834 -14.988 1.00 0.00 C ATOM 1446 OG SER A 598 3.997 -6.690 -16.109 1.00 0.00 O ATOM 0 H SER A 598 5.471 -4.627 -13.491 1.00 0.00 H new ATOM 0 HA SER A 598 5.001 -4.366 -16.265 1.00 0.00 H new ATOM 0 HB2 SER A 598 4.738 -6.255 -14.256 1.00 0.00 H new ATOM 0 HB3 SER A 598 3.065 -5.808 -14.520 1.00 0.00 H new ATOM 0 HG SER A 598 3.715 -7.584 -15.825 1.00 0.00 H new ATOM 1452 N LEU A 599 2.798 -2.918 -14.291 1.00 0.00 N ATOM 1453 CA LEU A 599 1.630 -2.082 -14.109 1.00 0.00 C ATOM 1454 C LEU A 599 2.072 -0.642 -14.309 1.00 0.00 C ATOM 1455 O LEU A 599 1.414 0.081 -15.051 1.00 0.00 O ATOM 1456 CB LEU A 599 1.056 -2.293 -12.690 1.00 0.00 C ATOM 1457 CG LEU A 599 0.903 -3.763 -12.249 1.00 0.00 C ATOM 1458 CD1 LEU A 599 0.564 -3.815 -10.762 1.00 0.00 C ATOM 1459 CD2 LEU A 599 -0.149 -4.521 -13.064 1.00 0.00 C ATOM 0 H LEU A 599 3.283 -3.067 -13.406 1.00 0.00 H new ATOM 0 HA LEU A 599 0.846 -2.334 -14.823 1.00 0.00 H new ATOM 0 HB2 LEU A 599 1.702 -1.783 -11.976 1.00 0.00 H new ATOM 0 HB3 LEU A 599 0.079 -1.812 -12.637 1.00 0.00 H new ATOM 0 HG LEU A 599 1.855 -4.261 -12.433 1.00 0.00 H new ATOM 0 HD11 LEU A 599 0.456 -4.854 -10.450 1.00 0.00 H new ATOM 0 HD12 LEU A 599 1.364 -3.346 -10.190 1.00 0.00 H new ATOM 0 HD13 LEU A 599 -0.370 -3.283 -10.583 1.00 0.00 H new ATOM 0 HD21 LEU A 599 -0.213 -5.550 -12.709 1.00 0.00 H new ATOM 0 HD22 LEU A 599 -1.118 -4.036 -12.947 1.00 0.00 H new ATOM 0 HD23 LEU A 599 0.134 -4.517 -14.117 1.00 0.00 H new ATOM 1471 N ASN A 600 3.221 -0.257 -13.723 1.00 0.00 N ATOM 1472 CA ASN A 600 3.882 1.049 -13.841 1.00 0.00 C ATOM 1473 C ASN A 600 2.881 2.190 -13.684 1.00 0.00 C ATOM 1474 O ASN A 600 2.929 3.211 -14.374 1.00 0.00 O ATOM 1475 CB ASN A 600 4.749 1.137 -15.105 1.00 0.00 C ATOM 1476 CG ASN A 600 3.980 0.751 -16.357 1.00 0.00 C ATOM 1477 OD1 ASN A 600 3.314 1.569 -16.982 1.00 0.00 O ATOM 1478 ND2 ASN A 600 4.050 -0.522 -16.710 1.00 0.00 N ATOM 0 H ASN A 600 3.742 -0.891 -13.118 1.00 0.00 H new ATOM 0 HA ASN A 600 4.582 1.158 -13.013 1.00 0.00 H new ATOM 0 HB2 ASN A 600 5.129 2.153 -15.213 1.00 0.00 H new ATOM 0 HB3 ASN A 600 5.614 0.483 -14.996 1.00 0.00 H new ATOM 0 HD21 ASN A 600 3.539 -0.853 -17.528 1.00 0.00 H new ATOM 0 HD22 ASN A 600 4.615 -1.172 -16.164 1.00 0.00 H new ATOM 1485 N GLU A 601 1.978 1.977 -12.736 1.00 0.00 N ATOM 1486 CA GLU A 601 0.911 2.838 -12.304 1.00 0.00 C ATOM 1487 C GLU A 601 1.351 3.595 -11.047 1.00 0.00 C ATOM 1488 O GLU A 601 2.206 3.100 -10.299 1.00 0.00 O ATOM 1489 CB GLU A 601 -0.289 1.941 -11.978 1.00 0.00 C ATOM 1490 CG GLU A 601 -0.870 1.288 -13.245 1.00 0.00 C ATOM 1491 CD GLU A 601 -2.391 1.454 -13.328 1.00 0.00 C ATOM 1492 OE1 GLU A 601 -2.886 2.575 -13.110 1.00 0.00 O ATOM 1493 OE2 GLU A 601 -3.104 0.464 -13.643 1.00 0.00 O ATOM 0 H GLU A 601 1.985 1.107 -12.204 1.00 0.00 H new ATOM 0 HA GLU A 601 0.651 3.564 -13.075 1.00 0.00 H new ATOM 0 HB2 GLU A 601 0.016 1.165 -11.276 1.00 0.00 H new ATOM 0 HB3 GLU A 601 -1.062 2.531 -11.485 1.00 0.00 H new ATOM 0 HG2 GLU A 601 -0.408 1.732 -14.127 1.00 0.00 H new ATOM 0 HG3 GLU A 601 -0.620 0.227 -13.254 1.00 0.00 H new ATOM 1500 N PRO A 602 0.751 4.757 -10.768 1.00 0.00 N ATOM 1501 CA PRO A 602 1.059 5.552 -9.597 1.00 0.00 C ATOM 1502 C PRO A 602 0.547 4.849 -8.339 1.00 0.00 C ATOM 1503 O PRO A 602 -0.646 4.579 -8.205 1.00 0.00 O ATOM 1504 CB PRO A 602 0.421 6.912 -9.851 1.00 0.00 C ATOM 1505 CG PRO A 602 -0.683 6.665 -10.877 1.00 0.00 C ATOM 1506 CD PRO A 602 -0.242 5.403 -11.609 1.00 0.00 C ATOM 0 HA PRO A 602 2.128 5.680 -9.428 1.00 0.00 H new ATOM 0 HB2 PRO A 602 0.014 7.331 -8.931 1.00 0.00 H new ATOM 0 HB3 PRO A 602 1.155 7.624 -10.229 1.00 0.00 H new ATOM 0 HG2 PRO A 602 -1.651 6.527 -10.395 1.00 0.00 H new ATOM 0 HG3 PRO A 602 -0.785 7.507 -11.562 1.00 0.00 H new ATOM 0 HD2 PRO A 602 -1.090 4.741 -11.784 1.00 0.00 H new ATOM 0 HD3 PRO A 602 0.178 5.648 -12.585 1.00 0.00 H new ATOM 1514 N LEU A 603 1.457 4.531 -7.413 1.00 0.00 N ATOM 1515 CA LEU A 603 1.120 3.811 -6.186 1.00 0.00 C ATOM 1516 C LEU A 603 1.096 4.767 -4.990 1.00 0.00 C ATOM 1517 O LEU A 603 1.661 5.868 -5.019 1.00 0.00 O ATOM 1518 CB LEU A 603 2.155 2.706 -5.890 1.00 0.00 C ATOM 1519 CG LEU A 603 2.456 1.725 -7.031 1.00 0.00 C ATOM 1520 CD1 LEU A 603 3.482 0.695 -6.560 1.00 0.00 C ATOM 1521 CD2 LEU A 603 1.197 0.999 -7.486 1.00 0.00 C ATOM 0 H LEU A 603 2.446 4.766 -7.495 1.00 0.00 H new ATOM 0 HA LEU A 603 0.136 3.366 -6.334 1.00 0.00 H new ATOM 0 HB2 LEU A 603 3.089 3.184 -5.596 1.00 0.00 H new ATOM 0 HB3 LEU A 603 1.806 2.133 -5.031 1.00 0.00 H new ATOM 0 HG LEU A 603 2.849 2.296 -7.872 1.00 0.00 H new ATOM 0 HD11 LEU A 603 3.696 -0.002 -7.370 1.00 0.00 H new ATOM 0 HD12 LEU A 603 4.400 1.204 -6.267 1.00 0.00 H new ATOM 0 HD13 LEU A 603 3.082 0.147 -5.706 1.00 0.00 H new ATOM 0 HD21 LEU A 603 1.445 0.312 -8.295 1.00 0.00 H new ATOM 0 HD22 LEU A 603 0.778 0.439 -6.650 1.00 0.00 H new ATOM 0 HD23 LEU A 603 0.465 1.726 -7.839 1.00 0.00 H new ATOM 1533 N VAL A 604 0.562 4.287 -3.871 1.00 0.00 N ATOM 1534 CA VAL A 604 0.809 4.814 -2.534 1.00 0.00 C ATOM 1535 C VAL A 604 0.760 3.608 -1.603 1.00 0.00 C ATOM 1536 O VAL A 604 -0.226 2.874 -1.583 1.00 0.00 O ATOM 1537 CB VAL A 604 -0.187 5.937 -2.176 1.00 0.00 C ATOM 1538 CG1 VAL A 604 -1.632 5.572 -2.504 1.00 0.00 C ATOM 1539 CG2 VAL A 604 -0.127 6.327 -0.688 1.00 0.00 C ATOM 0 H VAL A 604 -0.077 3.492 -3.871 1.00 0.00 H new ATOM 0 HA VAL A 604 1.780 5.301 -2.449 1.00 0.00 H new ATOM 0 HB VAL A 604 0.124 6.782 -2.791 1.00 0.00 H new ATOM 0 HG11 VAL A 604 -2.287 6.399 -2.231 1.00 0.00 H new ATOM 0 HG12 VAL A 604 -1.724 5.374 -3.572 1.00 0.00 H new ATOM 0 HG13 VAL A 604 -1.919 4.682 -1.944 1.00 0.00 H new ATOM 0 HG21 VAL A 604 -0.847 7.121 -0.491 1.00 0.00 H new ATOM 0 HG22 VAL A 604 -0.367 5.459 -0.074 1.00 0.00 H new ATOM 0 HG23 VAL A 604 0.876 6.678 -0.444 1.00 0.00 H new ATOM 1549 N THR A 605 1.851 3.339 -0.895 1.00 0.00 N ATOM 1550 CA THR A 605 1.994 2.095 -0.158 1.00 0.00 C ATOM 1551 C THR A 605 3.043 2.207 0.963 1.00 0.00 C ATOM 1552 O THR A 605 3.430 3.300 1.372 1.00 0.00 O ATOM 1553 CB THR A 605 2.242 0.976 -1.189 1.00 0.00 C ATOM 1554 OG1 THR A 605 2.132 -0.278 -0.574 1.00 0.00 O ATOM 1555 CG2 THR A 605 3.568 1.072 -1.946 1.00 0.00 C ATOM 0 H THR A 605 2.649 3.969 -0.818 1.00 0.00 H new ATOM 0 HA THR A 605 1.085 1.847 0.389 1.00 0.00 H new ATOM 0 HB THR A 605 1.468 1.107 -1.945 1.00 0.00 H new ATOM 0 HG1 THR A 605 1.320 -0.727 -0.889 1.00 0.00 H new ATOM 0 HG21 THR A 605 3.648 0.241 -2.646 1.00 0.00 H new ATOM 0 HG22 THR A 605 3.607 2.013 -2.494 1.00 0.00 H new ATOM 0 HG23 THR A 605 4.395 1.030 -1.237 1.00 0.00 H new ATOM 1563 N MET A 606 3.407 1.069 1.544 1.00 0.00 N ATOM 1564 CA MET A 606 4.415 0.825 2.562 1.00 0.00 C ATOM 1565 C MET A 606 5.696 0.315 1.894 1.00 0.00 C ATOM 1566 O MET A 606 5.684 0.034 0.695 1.00 0.00 O ATOM 1567 CB MET A 606 3.835 -0.268 3.471 1.00 0.00 C ATOM 1568 CG MET A 606 2.452 0.111 4.004 1.00 0.00 C ATOM 1569 SD MET A 606 1.165 -1.154 3.848 1.00 0.00 S ATOM 1570 CE MET A 606 -0.278 -0.064 3.900 1.00 0.00 C ATOM 0 H MET A 606 2.948 0.197 1.280 1.00 0.00 H new ATOM 0 HA MET A 606 4.657 1.728 3.123 1.00 0.00 H new ATOM 0 HB2 MET A 606 3.767 -1.204 2.916 1.00 0.00 H new ATOM 0 HB3 MET A 606 4.512 -0.442 4.308 1.00 0.00 H new ATOM 0 HG2 MET A 606 2.550 0.373 5.058 1.00 0.00 H new ATOM 0 HG3 MET A 606 2.117 1.008 3.483 1.00 0.00 H new ATOM 0 HE1 MET A 606 -1.164 -0.645 4.155 1.00 0.00 H new ATOM 0 HE2 MET A 606 -0.123 0.710 4.652 1.00 0.00 H new ATOM 0 HE3 MET A 606 -0.418 0.401 2.924 1.00 0.00 H new ATOM 1580 N PRO A 607 6.796 0.117 2.640 1.00 0.00 N ATOM 1581 CA PRO A 607 7.969 -0.591 2.147 1.00 0.00 C ATOM 1582 C PRO A 607 7.743 -2.106 1.977 1.00 0.00 C ATOM 1583 O PRO A 607 8.607 -2.897 2.332 1.00 0.00 O ATOM 1584 CB PRO A 607 9.090 -0.232 3.138 1.00 0.00 C ATOM 1585 CG PRO A 607 8.489 0.586 4.274 1.00 0.00 C ATOM 1586 CD PRO A 607 7.006 0.680 3.959 1.00 0.00 C ATOM 0 HA PRO A 607 8.229 -0.285 1.134 1.00 0.00 H new ATOM 0 HB2 PRO A 607 9.555 -1.138 3.528 1.00 0.00 H new ATOM 0 HB3 PRO A 607 9.872 0.336 2.635 1.00 0.00 H new ATOM 0 HG2 PRO A 607 8.657 0.104 5.237 1.00 0.00 H new ATOM 0 HG3 PRO A 607 8.943 1.575 4.329 1.00 0.00 H new ATOM 0 HD2 PRO A 607 6.422 0.138 4.703 1.00 0.00 H new ATOM 0 HD3 PRO A 607 6.674 1.718 3.988 1.00 0.00 H new ATOM 1594 N ILE A 608 6.596 -2.506 1.415 1.00 0.00 N ATOM 1595 CA ILE A 608 6.113 -3.847 1.108 1.00 0.00 C ATOM 1596 C ILE A 608 6.746 -4.942 1.964 1.00 0.00 C ATOM 1597 O ILE A 608 6.225 -5.244 3.040 1.00 0.00 O ATOM 1598 CB ILE A 608 6.055 -4.103 -0.412 1.00 0.00 C ATOM 1599 CG1 ILE A 608 5.083 -3.108 -1.090 1.00 0.00 C ATOM 1600 CG2 ILE A 608 5.629 -5.556 -0.705 1.00 0.00 C ATOM 1601 CD1 ILE A 608 3.675 -3.037 -0.488 1.00 0.00 C ATOM 0 H ILE A 608 5.906 -1.809 1.133 1.00 0.00 H new ATOM 0 HA ILE A 608 5.071 -3.901 1.423 1.00 0.00 H new ATOM 0 HB ILE A 608 7.053 -3.950 -0.823 1.00 0.00 H new ATOM 0 HG12 ILE A 608 5.525 -2.113 -1.050 1.00 0.00 H new ATOM 0 HG13 ILE A 608 4.995 -3.376 -2.143 1.00 0.00 H new ATOM 0 HG21 ILE A 608 5.595 -5.715 -1.783 1.00 0.00 H new ATOM 0 HG22 ILE A 608 6.349 -6.243 -0.260 1.00 0.00 H new ATOM 0 HG23 ILE A 608 4.642 -5.739 -0.280 1.00 0.00 H new ATOM 0 HD11 ILE A 608 3.080 -2.309 -1.040 1.00 0.00 H new ATOM 0 HD12 ILE A 608 3.202 -4.017 -0.553 1.00 0.00 H new ATOM 0 HD13 ILE A 608 3.741 -2.734 0.557 1.00 0.00 H new ATOM 1613 N GLY A 609 7.857 -5.521 1.506 1.00 0.00 N ATOM 1614 CA GLY A 609 8.660 -6.444 2.279 1.00 0.00 C ATOM 1615 C GLY A 609 9.357 -5.679 3.395 1.00 0.00 C ATOM 1616 O GLY A 609 10.554 -5.464 3.335 1.00 0.00 O ATOM 0 H GLY A 609 8.223 -5.352 0.569 1.00 0.00 H new ATOM 0 HA2 GLY A 609 8.032 -7.231 2.697 1.00 0.00 H new ATOM 0 HA3 GLY A 609 9.396 -6.930 1.639 1.00 0.00 H new ATOM 1620 N TYR A 610 8.623 -5.293 4.430 1.00 0.00 N ATOM 1621 CA TYR A 610 9.098 -4.660 5.646 1.00 0.00 C ATOM 1622 C TYR A 610 8.888 -5.583 6.842 1.00 0.00 C ATOM 1623 O TYR A 610 9.867 -5.970 7.464 1.00 0.00 O ATOM 1624 CB TYR A 610 8.456 -3.276 5.804 1.00 0.00 C ATOM 1625 CG TYR A 610 8.710 -2.669 7.165 1.00 0.00 C ATOM 1626 CD1 TYR A 610 10.024 -2.578 7.667 1.00 0.00 C ATOM 1627 CD2 TYR A 610 7.618 -2.331 7.981 1.00 0.00 C ATOM 1628 CE1 TYR A 610 10.237 -2.232 9.012 1.00 0.00 C ATOM 1629 CE2 TYR A 610 7.830 -1.970 9.321 1.00 0.00 C ATOM 1630 CZ TYR A 610 9.138 -1.960 9.854 1.00 0.00 C ATOM 1631 OH TYR A 610 9.339 -1.747 11.181 1.00 0.00 O ATOM 0 H TYR A 610 7.612 -5.424 4.439 1.00 0.00 H new ATOM 0 HA TYR A 610 10.173 -4.491 5.586 1.00 0.00 H new ATOM 0 HB2 TYR A 610 8.845 -2.609 5.035 1.00 0.00 H new ATOM 0 HB3 TYR A 610 7.381 -3.357 5.641 1.00 0.00 H new ATOM 0 HD1 TYR A 610 10.865 -2.774 7.019 1.00 0.00 H new ATOM 0 HD2 TYR A 610 6.616 -2.349 7.578 1.00 0.00 H new ATOM 0 HE1 TYR A 610 11.243 -2.174 9.402 1.00 0.00 H new ATOM 0 HE2 TYR A 610 6.991 -1.699 9.945 1.00 0.00 H new ATOM 0 HH TYR A 610 8.479 -1.572 11.618 1.00 0.00 H new ATOM 1641 N VAL A 611 7.662 -6.033 7.099 1.00 0.00 N ATOM 1642 CA VAL A 611 7.310 -6.867 8.251 1.00 0.00 C ATOM 1643 C VAL A 611 6.617 -8.157 7.807 1.00 0.00 C ATOM 1644 O VAL A 611 6.759 -9.184 8.454 1.00 0.00 O ATOM 1645 CB VAL A 611 6.451 -6.017 9.220 1.00 0.00 C ATOM 1646 CG1 VAL A 611 5.541 -6.812 10.166 1.00 0.00 C ATOM 1647 CG2 VAL A 611 7.354 -5.133 10.085 1.00 0.00 C ATOM 0 H VAL A 611 6.864 -5.824 6.498 1.00 0.00 H new ATOM 0 HA VAL A 611 8.208 -7.189 8.779 1.00 0.00 H new ATOM 0 HB VAL A 611 5.800 -5.439 8.564 1.00 0.00 H new ATOM 0 HG11 VAL A 611 4.984 -6.122 10.800 1.00 0.00 H new ATOM 0 HG12 VAL A 611 4.843 -7.411 9.581 1.00 0.00 H new ATOM 0 HG13 VAL A 611 6.149 -7.468 10.789 1.00 0.00 H new ATOM 0 HG21 VAL A 611 6.741 -4.539 10.763 1.00 0.00 H new ATOM 0 HG22 VAL A 611 8.031 -5.761 10.664 1.00 0.00 H new ATOM 0 HG23 VAL A 611 7.934 -4.469 9.445 1.00 0.00 H new ATOM 1657 N THR A 612 5.884 -8.141 6.697 1.00 0.00 N ATOM 1658 CA THR A 612 5.008 -9.238 6.289 1.00 0.00 C ATOM 1659 C THR A 612 5.770 -10.409 5.624 1.00 0.00 C ATOM 1660 O THR A 612 5.269 -11.527 5.570 1.00 0.00 O ATOM 1661 CB THR A 612 3.883 -8.594 5.458 1.00 0.00 C ATOM 1662 OG1 THR A 612 2.815 -9.454 5.151 1.00 0.00 O ATOM 1663 CG2 THR A 612 4.406 -7.935 4.178 1.00 0.00 C ATOM 0 H THR A 612 5.881 -7.356 6.046 1.00 0.00 H new ATOM 0 HA THR A 612 4.561 -9.747 7.143 1.00 0.00 H new ATOM 0 HB THR A 612 3.483 -7.824 6.118 1.00 0.00 H new ATOM 0 HG1 THR A 612 2.863 -9.711 4.206 1.00 0.00 H new ATOM 0 HG21 THR A 612 3.573 -7.496 3.628 1.00 0.00 H new ATOM 0 HG22 THR A 612 5.122 -7.155 4.437 1.00 0.00 H new ATOM 0 HG23 THR A 612 4.896 -8.685 3.557 1.00 0.00 H new ATOM 1671 N HIS A 613 7.019 -10.190 5.196 1.00 0.00 N ATOM 1672 CA HIS A 613 8.012 -11.220 4.860 1.00 0.00 C ATOM 1673 C HIS A 613 9.061 -11.256 5.995 1.00 0.00 C ATOM 1674 O HIS A 613 10.146 -11.794 5.803 1.00 0.00 O ATOM 1675 CB HIS A 613 8.574 -10.896 3.447 1.00 0.00 C ATOM 1676 CG HIS A 613 9.507 -11.867 2.739 1.00 0.00 C ATOM 1677 ND1 HIS A 613 10.579 -12.559 3.274 1.00 0.00 N ATOM 1678 CD2 HIS A 613 9.560 -12.035 1.382 1.00 0.00 C ATOM 1679 CE1 HIS A 613 11.253 -13.144 2.267 1.00 0.00 C ATOM 1680 NE2 HIS A 613 10.644 -12.851 1.103 1.00 0.00 N ATOM 0 H HIS A 613 7.383 -9.246 5.068 1.00 0.00 H new ATOM 0 HA HIS A 613 7.598 -12.226 4.799 1.00 0.00 H new ATOM 0 HB2 HIS A 613 7.718 -10.737 2.791 1.00 0.00 H new ATOM 0 HB3 HIS A 613 9.099 -9.944 3.522 1.00 0.00 H new ATOM 0 HD1 HIS A 613 10.818 -12.616 4.264 1.00 0.00 H new ATOM 0 HD2 HIS A 613 8.880 -11.609 0.659 1.00 0.00 H new ATOM 0 HE1 HIS A 613 12.140 -13.751 2.375 1.00 0.00 H new ATOM 1689 N GLY A 614 8.795 -10.645 7.154 1.00 0.00 N ATOM 1690 CA GLY A 614 9.729 -10.505 8.261 1.00 0.00 C ATOM 1691 C GLY A 614 11.058 -9.907 7.816 1.00 0.00 C ATOM 1692 O GLY A 614 12.085 -10.549 8.006 1.00 0.00 O ATOM 0 H GLY A 614 7.888 -10.221 7.348 1.00 0.00 H new ATOM 0 HA2 GLY A 614 9.287 -9.872 9.030 1.00 0.00 H new ATOM 0 HA3 GLY A 614 9.904 -11.481 8.713 1.00 0.00 H new ATOM 1696 N PHE A 615 11.052 -8.729 7.181 1.00 0.00 N ATOM 1697 CA PHE A 615 12.297 -8.019 6.862 1.00 0.00 C ATOM 1698 C PHE A 615 12.645 -7.064 8.011 1.00 0.00 C ATOM 1699 O PHE A 615 12.065 -7.131 9.094 1.00 0.00 O ATOM 1700 CB PHE A 615 12.203 -7.331 5.479 1.00 0.00 C ATOM 1701 CG PHE A 615 12.521 -8.168 4.245 1.00 0.00 C ATOM 1702 CD1 PHE A 615 12.728 -9.564 4.294 1.00 0.00 C ATOM 1703 CD2 PHE A 615 12.687 -7.506 3.014 1.00 0.00 C ATOM 1704 CE1 PHE A 615 13.099 -10.266 3.132 1.00 0.00 C ATOM 1705 CE2 PHE A 615 13.048 -8.203 1.859 1.00 0.00 C ATOM 1706 CZ PHE A 615 13.251 -9.587 1.910 1.00 0.00 C ATOM 0 H PHE A 615 10.204 -8.249 6.879 1.00 0.00 H new ATOM 0 HA PHE A 615 13.122 -8.725 6.774 1.00 0.00 H new ATOM 0 HB2 PHE A 615 11.191 -6.941 5.367 1.00 0.00 H new ATOM 0 HB3 PHE A 615 12.876 -6.474 5.485 1.00 0.00 H new ATOM 0 HD1 PHE A 615 12.601 -10.095 5.226 1.00 0.00 H new ATOM 0 HD2 PHE A 615 12.532 -6.438 2.962 1.00 0.00 H new ATOM 0 HE1 PHE A 615 13.268 -11.332 3.179 1.00 0.00 H new ATOM 0 HE2 PHE A 615 13.171 -7.674 0.926 1.00 0.00 H new ATOM 0 HZ PHE A 615 13.523 -10.130 1.017 1.00 0.00 H new ATOM 1716 N ASN A 616 13.599 -6.162 7.790 1.00 0.00 N ATOM 1717 CA ASN A 616 13.835 -4.983 8.611 1.00 0.00 C ATOM 1718 C ASN A 616 13.707 -3.770 7.704 1.00 0.00 C ATOM 1719 O ASN A 616 13.709 -3.910 6.482 1.00 0.00 O ATOM 1720 CB ASN A 616 15.256 -5.001 9.190 1.00 0.00 C ATOM 1721 CG ASN A 616 15.623 -6.253 9.984 1.00 0.00 C ATOM 1722 OD1 ASN A 616 14.906 -6.677 10.889 1.00 0.00 O ATOM 1723 ND2 ASN A 616 16.763 -6.841 9.685 1.00 0.00 N ATOM 0 H ASN A 616 14.249 -6.237 7.008 1.00 0.00 H new ATOM 0 HA ASN A 616 13.121 -4.958 9.434 1.00 0.00 H new ATOM 0 HB2 ASN A 616 15.966 -4.890 8.370 1.00 0.00 H new ATOM 0 HB3 ASN A 616 15.378 -4.132 9.837 1.00 0.00 H new ATOM 0 HD21 ASN A 616 17.065 -7.663 10.208 1.00 0.00 H new ATOM 0 HD22 ASN A 616 17.344 -6.474 8.931 1.00 0.00 H new ATOM 1730 N LEU A 617 13.680 -2.570 8.286 1.00 0.00 N ATOM 1731 CA LEU A 617 13.552 -1.324 7.532 1.00 0.00 C ATOM 1732 C LEU A 617 14.681 -1.149 6.515 1.00 0.00 C ATOM 1733 O LEU A 617 14.447 -0.573 5.455 1.00 0.00 O ATOM 1734 CB LEU A 617 13.519 -0.142 8.515 1.00 0.00 C ATOM 1735 CG LEU A 617 12.961 1.175 7.926 1.00 0.00 C ATOM 1736 CD1 LEU A 617 11.486 1.066 7.517 1.00 0.00 C ATOM 1737 CD2 LEU A 617 13.087 2.325 8.936 1.00 0.00 C ATOM 0 H LEU A 617 13.746 -2.436 9.295 1.00 0.00 H new ATOM 0 HA LEU A 617 12.622 -1.360 6.965 1.00 0.00 H new ATOM 0 HB2 LEU A 617 12.915 -0.422 9.378 1.00 0.00 H new ATOM 0 HB3 LEU A 617 14.531 0.039 8.878 1.00 0.00 H new ATOM 0 HG LEU A 617 13.558 1.375 7.037 1.00 0.00 H new ATOM 0 HD11 LEU A 617 11.150 2.020 7.111 1.00 0.00 H new ATOM 0 HD12 LEU A 617 11.375 0.290 6.760 1.00 0.00 H new ATOM 0 HD13 LEU A 617 10.884 0.811 8.389 1.00 0.00 H new ATOM 0 HD21 LEU A 617 12.688 3.240 8.498 1.00 0.00 H new ATOM 0 HD22 LEU A 617 12.526 2.080 9.838 1.00 0.00 H new ATOM 0 HD23 LEU A 617 14.137 2.473 9.190 1.00 0.00 H new ATOM 1749 N GLU A 618 15.875 -1.665 6.823 1.00 0.00 N ATOM 1750 CA GLU A 618 17.054 -1.540 5.967 1.00 0.00 C ATOM 1751 C GLU A 618 16.877 -2.433 4.738 1.00 0.00 C ATOM 1752 O GLU A 618 16.954 -1.957 3.605 1.00 0.00 O ATOM 1753 CB GLU A 618 18.330 -1.882 6.762 1.00 0.00 C ATOM 1754 CG GLU A 618 19.608 -1.462 6.003 1.00 0.00 C ATOM 1755 CD GLU A 618 20.804 -1.074 6.891 1.00 0.00 C ATOM 1756 OE1 GLU A 618 20.801 -1.343 8.112 1.00 0.00 O ATOM 1757 OE2 GLU A 618 21.780 -0.495 6.338 1.00 0.00 O ATOM 0 H GLU A 618 16.050 -2.186 7.682 1.00 0.00 H new ATOM 0 HA GLU A 618 17.163 -0.511 5.624 1.00 0.00 H new ATOM 0 HB2 GLU A 618 18.301 -1.381 7.730 1.00 0.00 H new ATOM 0 HB3 GLU A 618 18.360 -2.954 6.959 1.00 0.00 H new ATOM 0 HG2 GLU A 618 19.911 -2.283 5.353 1.00 0.00 H new ATOM 0 HG3 GLU A 618 19.366 -0.617 5.358 1.00 0.00 H new ATOM 1764 N GLU A 619 16.568 -3.715 4.963 1.00 0.00 N ATOM 1765 CA GLU A 619 16.292 -4.690 3.911 1.00 0.00 C ATOM 1766 C GLU A 619 15.165 -4.222 3.007 1.00 0.00 C ATOM 1767 O GLU A 619 15.219 -4.416 1.795 1.00 0.00 O ATOM 1768 CB GLU A 619 15.845 -6.027 4.511 1.00 0.00 C ATOM 1769 CG GLU A 619 16.990 -6.815 5.150 1.00 0.00 C ATOM 1770 CD GLU A 619 17.063 -8.224 4.529 1.00 0.00 C ATOM 1771 OE1 GLU A 619 17.218 -8.314 3.283 1.00 0.00 O ATOM 1772 OE2 GLU A 619 16.932 -9.232 5.261 1.00 0.00 O ATOM 0 H GLU A 619 16.502 -4.108 5.902 1.00 0.00 H new ATOM 0 HA GLU A 619 17.217 -4.803 3.345 1.00 0.00 H new ATOM 0 HB2 GLU A 619 15.077 -5.842 5.262 1.00 0.00 H new ATOM 0 HB3 GLU A 619 15.387 -6.633 3.729 1.00 0.00 H new ATOM 0 HG2 GLU A 619 17.934 -6.291 4.998 1.00 0.00 H new ATOM 0 HG3 GLU A 619 16.836 -6.889 6.227 1.00 0.00 H new ATOM 1779 N ALA A 620 14.118 -3.671 3.612 1.00 0.00 N ATOM 1780 CA ALA A 620 12.906 -3.263 2.942 1.00 0.00 C ATOM 1781 C ALA A 620 13.200 -2.083 2.030 1.00 0.00 C ATOM 1782 O ALA A 620 12.852 -2.107 0.853 1.00 0.00 O ATOM 1783 CB ALA A 620 11.900 -2.886 4.029 1.00 0.00 C ATOM 0 H ALA A 620 14.097 -3.494 4.616 1.00 0.00 H new ATOM 0 HA ALA A 620 12.502 -4.062 2.321 1.00 0.00 H new ATOM 0 HB1 ALA A 620 10.965 -2.570 3.566 1.00 0.00 H new ATOM 0 HB2 ALA A 620 11.715 -3.749 4.668 1.00 0.00 H new ATOM 0 HB3 ALA A 620 12.302 -2.070 4.629 1.00 0.00 H new ATOM 1789 N ALA A 621 13.872 -1.061 2.562 1.00 0.00 N ATOM 1790 CA ALA A 621 14.342 0.079 1.802 1.00 0.00 C ATOM 1791 C ALA A 621 15.233 -0.377 0.646 1.00 0.00 C ATOM 1792 O ALA A 621 15.025 0.074 -0.479 1.00 0.00 O ATOM 1793 CB ALA A 621 15.138 0.987 2.743 1.00 0.00 C ATOM 0 H ALA A 621 14.105 -1.010 3.554 1.00 0.00 H new ATOM 0 HA ALA A 621 13.492 0.617 1.383 1.00 0.00 H new ATOM 0 HB1 ALA A 621 15.502 1.853 2.191 1.00 0.00 H new ATOM 0 HB2 ALA A 621 14.495 1.320 3.558 1.00 0.00 H new ATOM 0 HB3 ALA A 621 15.985 0.435 3.151 1.00 0.00 H new ATOM 1799 N ARG A 622 16.216 -1.249 0.896 1.00 0.00 N ATOM 1800 CA ARG A 622 17.144 -1.730 -0.129 1.00 0.00 C ATOM 1801 C ARG A 622 16.402 -2.465 -1.235 1.00 0.00 C ATOM 1802 O ARG A 622 16.602 -2.145 -2.405 1.00 0.00 O ATOM 1803 CB ARG A 622 18.223 -2.611 0.494 1.00 0.00 C ATOM 1804 CG ARG A 622 19.285 -1.692 1.097 1.00 0.00 C ATOM 1805 CD ARG A 622 20.247 -2.459 1.992 1.00 0.00 C ATOM 1806 NE ARG A 622 21.635 -2.453 1.492 1.00 0.00 N ATOM 1807 CZ ARG A 622 22.546 -1.502 1.760 1.00 0.00 C ATOM 1808 NH1 ARG A 622 22.161 -0.335 2.267 1.00 0.00 N ATOM 1809 NH2 ARG A 622 23.836 -1.713 1.540 1.00 0.00 N ATOM 0 H ARG A 622 16.390 -1.642 1.821 1.00 0.00 H new ATOM 0 HA ARG A 622 17.633 -0.866 -0.579 1.00 0.00 H new ATOM 0 HB2 ARG A 622 17.794 -3.255 1.262 1.00 0.00 H new ATOM 0 HB3 ARG A 622 18.665 -3.264 -0.259 1.00 0.00 H new ATOM 0 HG2 ARG A 622 19.842 -1.205 0.297 1.00 0.00 H new ATOM 0 HG3 ARG A 622 18.800 -0.904 1.674 1.00 0.00 H new ATOM 0 HD2 ARG A 622 20.226 -2.026 2.992 1.00 0.00 H new ATOM 0 HD3 ARG A 622 19.905 -3.490 2.083 1.00 0.00 H new ATOM 0 HE ARG A 622 21.925 -3.230 0.898 1.00 0.00 H new ATOM 0 HH11 ARG A 622 21.173 -0.161 2.453 1.00 0.00 H new ATOM 0 HH12 ARG A 622 22.853 0.386 2.470 1.00 0.00 H new ATOM 0 HH21 ARG A 622 24.149 -2.607 1.162 1.00 0.00 H new ATOM 0 HH22 ARG A 622 24.515 -0.981 1.749 1.00 0.00 H new ATOM 1823 N CYS A 623 15.519 -3.401 -0.877 1.00 0.00 N ATOM 1824 CA CYS A 623 14.628 -4.056 -1.823 1.00 0.00 C ATOM 1825 C CYS A 623 13.851 -3.011 -2.621 1.00 0.00 C ATOM 1826 O CYS A 623 13.848 -3.058 -3.845 1.00 0.00 O ATOM 1827 CB CYS A 623 13.689 -5.030 -1.090 1.00 0.00 C ATOM 1828 SG CYS A 623 14.234 -6.736 -1.398 1.00 0.00 S ATOM 0 H CYS A 623 15.406 -3.724 0.084 1.00 0.00 H new ATOM 0 HA CYS A 623 15.219 -4.641 -2.528 1.00 0.00 H new ATOM 0 HB2 CYS A 623 13.694 -4.822 -0.020 1.00 0.00 H new ATOM 0 HB3 CYS A 623 12.664 -4.895 -1.436 1.00 0.00 H new ATOM 0 HG CYS A 623 13.371 -7.336 -2.164 1.00 0.00 H new ATOM 1834 N MET A 624 13.219 -2.049 -1.954 1.00 0.00 N ATOM 1835 CA MET A 624 12.425 -1.014 -2.605 1.00 0.00 C ATOM 1836 C MET A 624 13.276 -0.177 -3.576 1.00 0.00 C ATOM 1837 O MET A 624 12.783 0.142 -4.649 1.00 0.00 O ATOM 1838 CB MET A 624 11.717 -0.174 -1.539 1.00 0.00 C ATOM 1839 CG MET A 624 10.554 -0.914 -0.862 1.00 0.00 C ATOM 1840 SD MET A 624 8.907 -0.620 -1.557 1.00 0.00 S ATOM 1841 CE MET A 624 8.730 1.146 -1.179 1.00 0.00 C ATOM 0 H MET A 624 13.245 -1.966 -0.938 1.00 0.00 H new ATOM 0 HA MET A 624 11.657 -1.477 -3.224 1.00 0.00 H new ATOM 0 HB2 MET A 624 12.441 0.124 -0.780 1.00 0.00 H new ATOM 0 HB3 MET A 624 11.340 0.741 -1.997 1.00 0.00 H new ATOM 0 HG2 MET A 624 10.758 -1.984 -0.904 1.00 0.00 H new ATOM 0 HG3 MET A 624 10.536 -0.634 0.191 1.00 0.00 H new ATOM 0 HE1 MET A 624 7.681 1.431 -1.255 1.00 0.00 H new ATOM 0 HE2 MET A 624 9.086 1.339 -0.167 1.00 0.00 H new ATOM 0 HE3 MET A 624 9.317 1.730 -1.887 1.00 0.00 H new ATOM 1851 N ARG A 625 14.561 0.104 -3.303 1.00 0.00 N ATOM 1852 CA ARG A 625 15.453 0.747 -4.281 1.00 0.00 C ATOM 1853 C ARG A 625 15.611 -0.037 -5.600 1.00 0.00 C ATOM 1854 O ARG A 625 16.053 0.574 -6.572 1.00 0.00 O ATOM 1855 CB ARG A 625 16.843 1.053 -3.698 1.00 0.00 C ATOM 1856 CG ARG A 625 16.811 2.107 -2.582 1.00 0.00 C ATOM 1857 CD ARG A 625 18.211 2.400 -2.030 1.00 0.00 C ATOM 1858 NE ARG A 625 18.872 3.531 -2.710 1.00 0.00 N ATOM 1859 CZ ARG A 625 19.733 3.469 -3.735 1.00 0.00 C ATOM 1860 NH1 ARG A 625 20.043 2.309 -4.305 1.00 0.00 N ATOM 1861 NH2 ARG A 625 20.323 4.573 -4.159 1.00 0.00 N ATOM 0 H ARG A 625 15.006 -0.105 -2.409 1.00 0.00 H new ATOM 0 HA ARG A 625 14.950 1.685 -4.518 1.00 0.00 H new ATOM 0 HB2 ARG A 625 17.277 0.133 -3.307 1.00 0.00 H new ATOM 0 HB3 ARG A 625 17.497 1.400 -4.498 1.00 0.00 H new ATOM 0 HG2 ARG A 625 16.372 3.028 -2.965 1.00 0.00 H new ATOM 0 HG3 ARG A 625 16.168 1.760 -1.774 1.00 0.00 H new ATOM 0 HD2 ARG A 625 18.138 2.616 -0.964 1.00 0.00 H new ATOM 0 HD3 ARG A 625 18.830 1.509 -2.133 1.00 0.00 H new ATOM 0 HE ARG A 625 18.649 4.463 -2.361 1.00 0.00 H new ATOM 0 HH11 ARG A 625 19.623 1.445 -3.963 1.00 0.00 H new ATOM 0 HH12 ARG A 625 20.701 2.283 -5.084 1.00 0.00 H new ATOM 0 HH21 ARG A 625 20.122 5.465 -3.707 1.00 0.00 H new ATOM 0 HH22 ARG A 625 20.979 4.533 -4.939 1.00 0.00 H new ATOM 1875 N SER A 626 15.287 -1.334 -5.687 1.00 0.00 N ATOM 1876 CA SER A 626 15.247 -2.062 -6.964 1.00 0.00 C ATOM 1877 C SER A 626 14.007 -1.718 -7.802 1.00 0.00 C ATOM 1878 O SER A 626 13.953 -2.050 -8.988 1.00 0.00 O ATOM 1879 CB SER A 626 15.209 -3.575 -6.709 1.00 0.00 C ATOM 1880 OG SER A 626 16.427 -4.085 -6.199 1.00 0.00 O ATOM 0 H SER A 626 15.046 -1.907 -4.878 1.00 0.00 H new ATOM 0 HA SER A 626 16.143 -1.765 -7.508 1.00 0.00 H new ATOM 0 HB2 SER A 626 14.406 -3.798 -6.006 1.00 0.00 H new ATOM 0 HB3 SER A 626 14.969 -4.088 -7.640 1.00 0.00 H new ATOM 0 HG SER A 626 16.343 -5.051 -6.055 1.00 0.00 H new ATOM 1886 N LEU A 627 12.972 -1.140 -7.193 1.00 0.00 N ATOM 1887 CA LEU A 627 11.679 -0.917 -7.820 1.00 0.00 C ATOM 1888 C LEU A 627 11.769 0.283 -8.740 1.00 0.00 C ATOM 1889 O LEU A 627 12.515 1.224 -8.482 1.00 0.00 O ATOM 1890 CB LEU A 627 10.638 -0.727 -6.712 1.00 0.00 C ATOM 1891 CG LEU A 627 9.220 -1.176 -7.082 1.00 0.00 C ATOM 1892 CD1 LEU A 627 8.402 -1.225 -5.796 1.00 0.00 C ATOM 1893 CD2 LEU A 627 8.505 -0.313 -8.093 1.00 0.00 C ATOM 0 H LEU A 627 13.015 -0.808 -6.229 1.00 0.00 H new ATOM 0 HA LEU A 627 11.379 -1.769 -8.431 1.00 0.00 H new ATOM 0 HB2 LEU A 627 10.961 -1.280 -5.830 1.00 0.00 H new ATOM 0 HB3 LEU A 627 10.610 0.327 -6.435 1.00 0.00 H new ATOM 0 HG LEU A 627 9.319 -2.148 -7.566 1.00 0.00 H new ATOM 0 HD11 LEU A 627 7.384 -1.542 -6.024 1.00 0.00 H new ATOM 0 HD12 LEU A 627 8.856 -1.933 -5.103 1.00 0.00 H new ATOM 0 HD13 LEU A 627 8.380 -0.235 -5.341 1.00 0.00 H new ATOM 0 HD21 LEU A 627 7.512 -0.721 -8.282 1.00 0.00 H new ATOM 0 HD22 LEU A 627 8.413 0.702 -7.705 1.00 0.00 H new ATOM 0 HD23 LEU A 627 9.073 -0.296 -9.023 1.00 0.00 H new ATOM 1905 N LYS A 628 11.047 0.216 -9.850 1.00 0.00 N ATOM 1906 CA LYS A 628 11.203 1.098 -10.996 1.00 0.00 C ATOM 1907 C LYS A 628 9.861 1.687 -11.445 1.00 0.00 C ATOM 1908 O LYS A 628 9.851 2.609 -12.257 1.00 0.00 O ATOM 1909 CB LYS A 628 12.039 0.381 -12.071 1.00 0.00 C ATOM 1910 CG LYS A 628 11.536 -1.006 -12.441 1.00 0.00 C ATOM 1911 CD LYS A 628 12.552 -1.893 -13.161 1.00 0.00 C ATOM 1912 CE LYS A 628 13.525 -2.416 -12.097 1.00 0.00 C ATOM 1913 NZ LYS A 628 14.344 -3.536 -12.577 1.00 0.00 N ATOM 0 H LYS A 628 10.311 -0.478 -9.981 1.00 0.00 H new ATOM 0 HA LYS A 628 11.772 1.989 -10.732 1.00 0.00 H new ATOM 0 HB2 LYS A 628 12.059 0.998 -12.969 1.00 0.00 H new ATOM 0 HB3 LYS A 628 13.067 0.299 -11.718 1.00 0.00 H new ATOM 0 HG2 LYS A 628 11.214 -1.513 -11.532 1.00 0.00 H new ATOM 0 HG3 LYS A 628 10.656 -0.899 -13.075 1.00 0.00 H new ATOM 0 HD2 LYS A 628 12.052 -2.720 -13.666 1.00 0.00 H new ATOM 0 HD3 LYS A 628 13.084 -1.327 -13.926 1.00 0.00 H new ATOM 0 HE2 LYS A 628 14.179 -1.604 -11.778 1.00 0.00 H new ATOM 0 HE3 LYS A 628 12.961 -2.734 -11.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 628 14.983 -3.849 -11.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 628 13.725 -4.324 -12.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 628 14.905 -3.229 -13.397 1.00 0.00 H new ATOM 1927 N ALA A 629 8.747 1.250 -10.847 1.00 0.00 N ATOM 1928 CA ALA A 629 7.499 2.010 -10.793 1.00 0.00 C ATOM 1929 C ALA A 629 7.639 3.176 -9.786 1.00 0.00 C ATOM 1930 O ALA A 629 8.585 3.189 -8.986 1.00 0.00 O ATOM 1931 CB ALA A 629 6.361 1.066 -10.368 1.00 0.00 C ATOM 0 H ALA A 629 8.689 0.345 -10.381 1.00 0.00 H new ATOM 0 HA ALA A 629 7.274 2.428 -11.774 1.00 0.00 H new ATOM 0 HB1 ALA A 629 5.424 1.622 -10.324 1.00 0.00 H new ATOM 0 HB2 ALA A 629 6.269 0.257 -11.093 1.00 0.00 H new ATOM 0 HB3 ALA A 629 6.582 0.649 -9.385 1.00 0.00 H new ATOM 1937 N PRO A 630 6.706 4.142 -9.772 1.00 0.00 N ATOM 1938 CA PRO A 630 6.564 5.146 -8.710 1.00 0.00 C ATOM 1939 C PRO A 630 5.823 4.623 -7.473 1.00 0.00 C ATOM 1940 O PRO A 630 5.255 3.527 -7.482 1.00 0.00 O ATOM 1941 CB PRO A 630 5.773 6.285 -9.366 1.00 0.00 C ATOM 1942 CG PRO A 630 4.901 5.546 -10.380 1.00 0.00 C ATOM 1943 CD PRO A 630 5.807 4.437 -10.881 1.00 0.00 C ATOM 0 HA PRO A 630 7.541 5.452 -8.337 1.00 0.00 H new ATOM 0 HB2 PRO A 630 5.173 6.833 -8.639 1.00 0.00 H new ATOM 0 HB3 PRO A 630 6.430 7.009 -9.848 1.00 0.00 H new ATOM 0 HG2 PRO A 630 3.997 5.149 -9.918 1.00 0.00 H new ATOM 0 HG3 PRO A 630 4.583 6.202 -11.190 1.00 0.00 H new ATOM 0 HD2 PRO A 630 5.231 3.556 -11.165 1.00 0.00 H new ATOM 0 HD3 PRO A 630 6.363 4.752 -11.764 1.00 0.00 H new ATOM 1951 N ALA A 631 5.826 5.421 -6.396 1.00 0.00 N ATOM 1952 CA ALA A 631 5.150 5.195 -5.133 1.00 0.00 C ATOM 1953 C ALA A 631 5.374 6.387 -4.205 1.00 0.00 C ATOM 1954 O ALA A 631 6.494 6.880 -4.079 1.00 0.00 O ATOM 1955 CB ALA A 631 5.733 3.957 -4.447 1.00 0.00 C ATOM 0 H ALA A 631 6.341 6.301 -6.396 1.00 0.00 H new ATOM 0 HA ALA A 631 4.087 5.058 -5.331 1.00 0.00 H new ATOM 0 HB1 ALA A 631 5.222 3.792 -3.499 1.00 0.00 H new ATOM 0 HB2 ALA A 631 5.597 3.087 -5.089 1.00 0.00 H new ATOM 0 HB3 ALA A 631 6.797 4.109 -4.264 1.00 0.00 H new ATOM 1961 N VAL A 632 4.328 6.773 -3.481 1.00 0.00 N ATOM 1962 CA VAL A 632 4.470 7.284 -2.114 1.00 0.00 C ATOM 1963 C VAL A 632 4.745 6.082 -1.202 1.00 0.00 C ATOM 1964 O VAL A 632 4.188 5.000 -1.422 1.00 0.00 O ATOM 1965 CB VAL A 632 3.187 8.041 -1.700 1.00 0.00 C ATOM 1966 CG1 VAL A 632 3.069 8.325 -0.193 1.00 0.00 C ATOM 1967 CG2 VAL A 632 3.130 9.397 -2.401 1.00 0.00 C ATOM 0 H VAL A 632 3.365 6.743 -3.817 1.00 0.00 H new ATOM 0 HA VAL A 632 5.294 7.993 -2.037 1.00 0.00 H new ATOM 0 HB VAL A 632 2.372 7.377 -1.988 1.00 0.00 H new ATOM 0 HG11 VAL A 632 2.139 8.859 0.005 1.00 0.00 H new ATOM 0 HG12 VAL A 632 3.071 7.383 0.356 1.00 0.00 H new ATOM 0 HG13 VAL A 632 3.913 8.935 0.130 1.00 0.00 H new ATOM 0 HG21 VAL A 632 2.223 9.923 -2.103 1.00 0.00 H new ATOM 0 HG22 VAL A 632 4.001 9.989 -2.120 1.00 0.00 H new ATOM 0 HG23 VAL A 632 3.125 9.248 -3.481 1.00 0.00 H new ATOM 1977 N VAL A 633 5.551 6.280 -0.156 1.00 0.00 N ATOM 1978 CA VAL A 633 5.916 5.263 0.828 1.00 0.00 C ATOM 1979 C VAL A 633 5.554 5.781 2.223 1.00 0.00 C ATOM 1980 O VAL A 633 5.595 6.984 2.463 1.00 0.00 O ATOM 1981 CB VAL A 633 7.408 4.907 0.670 1.00 0.00 C ATOM 1982 CG1 VAL A 633 7.831 3.768 1.614 1.00 0.00 C ATOM 1983 CG2 VAL A 633 7.678 4.434 -0.765 1.00 0.00 C ATOM 0 H VAL A 633 5.981 7.185 0.034 1.00 0.00 H new ATOM 0 HA VAL A 633 5.361 4.338 0.672 1.00 0.00 H new ATOM 0 HB VAL A 633 7.976 5.806 0.911 1.00 0.00 H new ATOM 0 HG11 VAL A 633 8.889 3.550 1.469 1.00 0.00 H new ATOM 0 HG12 VAL A 633 7.661 4.070 2.647 1.00 0.00 H new ATOM 0 HG13 VAL A 633 7.243 2.877 1.395 1.00 0.00 H new ATOM 0 HG21 VAL A 633 8.733 4.183 -0.873 1.00 0.00 H new ATOM 0 HG22 VAL A 633 7.072 3.553 -0.978 1.00 0.00 H new ATOM 0 HG23 VAL A 633 7.421 5.229 -1.465 1.00 0.00 H new ATOM 1993 N SER A 634 5.220 4.896 3.159 1.00 0.00 N ATOM 1994 CA SER A 634 4.779 5.283 4.488 1.00 0.00 C ATOM 1995 C SER A 634 5.286 4.286 5.522 1.00 0.00 C ATOM 1996 O SER A 634 5.369 3.089 5.246 1.00 0.00 O ATOM 1997 CB SER A 634 3.257 5.331 4.442 1.00 0.00 C ATOM 1998 OG SER A 634 2.681 5.537 5.712 1.00 0.00 O ATOM 0 H SER A 634 5.249 3.887 3.012 1.00 0.00 H new ATOM 0 HA SER A 634 5.176 6.256 4.779 1.00 0.00 H new ATOM 0 HB2 SER A 634 2.943 6.130 3.771 1.00 0.00 H new ATOM 0 HB3 SER A 634 2.881 4.397 4.024 1.00 0.00 H new ATOM 0 HG SER A 634 1.733 5.290 5.685 1.00 0.00 H new ATOM 2004 N VAL A 635 5.575 4.773 6.724 1.00 0.00 N ATOM 2005 CA VAL A 635 6.106 4.034 7.865 1.00 0.00 C ATOM 2006 C VAL A 635 5.283 4.415 9.093 1.00 0.00 C ATOM 2007 O VAL A 635 4.696 5.499 9.122 1.00 0.00 O ATOM 2008 CB VAL A 635 7.592 4.383 8.088 1.00 0.00 C ATOM 2009 CG1 VAL A 635 8.550 3.616 7.175 1.00 0.00 C ATOM 2010 CG2 VAL A 635 7.865 5.879 7.912 1.00 0.00 C ATOM 0 H VAL A 635 5.435 5.760 6.942 1.00 0.00 H new ATOM 0 HA VAL A 635 6.040 2.961 7.682 1.00 0.00 H new ATOM 0 HB VAL A 635 7.783 4.083 9.118 1.00 0.00 H new ATOM 0 HG11 VAL A 635 9.576 3.915 7.391 1.00 0.00 H new ATOM 0 HG12 VAL A 635 8.440 2.546 7.349 1.00 0.00 H new ATOM 0 HG13 VAL A 635 8.318 3.840 6.134 1.00 0.00 H new ATOM 0 HG21 VAL A 635 8.924 6.078 8.078 1.00 0.00 H new ATOM 0 HG22 VAL A 635 7.594 6.182 6.901 1.00 0.00 H new ATOM 0 HG23 VAL A 635 7.272 6.444 8.631 1.00 0.00 H new ATOM 2020 N SER A 636 5.240 3.556 10.115 1.00 0.00 N ATOM 2021 CA SER A 636 4.443 3.838 11.305 1.00 0.00 C ATOM 2022 C SER A 636 4.958 5.066 12.056 1.00 0.00 C ATOM 2023 O SER A 636 4.157 5.736 12.717 1.00 0.00 O ATOM 2024 CB SER A 636 4.433 2.633 12.249 1.00 0.00 C ATOM 2025 OG SER A 636 4.154 1.441 11.541 1.00 0.00 O ATOM 0 H SER A 636 5.743 2.669 10.140 1.00 0.00 H new ATOM 0 HA SER A 636 3.428 4.043 10.966 1.00 0.00 H new ATOM 0 HB2 SER A 636 5.399 2.548 12.747 1.00 0.00 H new ATOM 0 HB3 SER A 636 3.685 2.782 13.028 1.00 0.00 H new ATOM 0 HG SER A 636 4.154 0.684 12.163 1.00 0.00 H new ATOM 2031 N SER A 637 6.253 5.383 11.946 1.00 0.00 N ATOM 2032 CA SER A 637 6.879 6.367 12.817 1.00 0.00 C ATOM 2033 C SER A 637 7.527 7.491 12.008 1.00 0.00 C ATOM 2034 O SER A 637 8.106 7.237 10.950 1.00 0.00 O ATOM 2035 CB SER A 637 7.888 5.688 13.749 1.00 0.00 C ATOM 2036 OG SER A 637 8.677 4.707 13.094 1.00 0.00 O ATOM 0 H SER A 637 6.883 4.968 11.260 1.00 0.00 H new ATOM 0 HA SER A 637 6.104 6.823 13.434 1.00 0.00 H new ATOM 0 HB2 SER A 637 8.543 6.445 14.179 1.00 0.00 H new ATOM 0 HB3 SER A 637 7.353 5.222 14.577 1.00 0.00 H new ATOM 0 HG SER A 637 9.303 4.309 13.735 1.00 0.00 H new ATOM 2042 N PRO A 638 7.507 8.736 12.513 1.00 0.00 N ATOM 2043 CA PRO A 638 8.182 9.848 11.863 1.00 0.00 C ATOM 2044 C PRO A 638 9.696 9.638 11.879 1.00 0.00 C ATOM 2045 O PRO A 638 10.371 9.975 10.911 1.00 0.00 O ATOM 2046 CB PRO A 638 7.760 11.095 12.640 1.00 0.00 C ATOM 2047 CG PRO A 638 7.449 10.557 14.033 1.00 0.00 C ATOM 2048 CD PRO A 638 6.911 9.156 13.771 1.00 0.00 C ATOM 0 HA PRO A 638 7.910 9.942 10.812 1.00 0.00 H new ATOM 0 HB2 PRO A 638 8.555 11.840 12.666 1.00 0.00 H new ATOM 0 HB3 PRO A 638 6.890 11.573 12.190 1.00 0.00 H new ATOM 0 HG2 PRO A 638 8.340 10.532 14.660 1.00 0.00 H new ATOM 0 HG3 PRO A 638 6.715 11.178 14.547 1.00 0.00 H new ATOM 0 HD2 PRO A 638 7.180 8.475 14.579 1.00 0.00 H new ATOM 0 HD3 PRO A 638 5.823 9.160 13.707 1.00 0.00 H new ATOM 2056 N ASP A 639 10.242 9.022 12.927 1.00 0.00 N ATOM 2057 CA ASP A 639 11.667 8.697 13.019 1.00 0.00 C ATOM 2058 C ASP A 639 12.115 7.746 11.915 1.00 0.00 C ATOM 2059 O ASP A 639 13.271 7.752 11.484 1.00 0.00 O ATOM 2060 CB ASP A 639 11.949 8.052 14.379 1.00 0.00 C ATOM 2061 CG ASP A 639 12.817 8.991 15.184 1.00 0.00 C ATOM 2062 OD1 ASP A 639 12.224 9.858 15.868 1.00 0.00 O ATOM 2063 OD2 ASP A 639 14.057 8.932 15.068 1.00 0.00 O ATOM 0 H ASP A 639 9.704 8.732 13.744 1.00 0.00 H new ATOM 0 HA ASP A 639 12.226 9.626 12.905 1.00 0.00 H new ATOM 0 HB2 ASP A 639 11.015 7.854 14.905 1.00 0.00 H new ATOM 0 HB3 ASP A 639 12.450 7.093 14.247 1.00 0.00 H new ATOM 2068 N ALA A 640 11.183 6.936 11.424 1.00 0.00 N ATOM 2069 CA ALA A 640 11.446 5.983 10.372 1.00 0.00 C ATOM 2070 C ALA A 640 11.356 6.669 9.017 1.00 0.00 C ATOM 2071 O ALA A 640 12.019 6.201 8.109 1.00 0.00 O ATOM 2072 CB ALA A 640 10.503 4.785 10.472 1.00 0.00 C ATOM 0 H ALA A 640 10.218 6.929 11.754 1.00 0.00 H new ATOM 0 HA ALA A 640 12.459 5.597 10.486 1.00 0.00 H new ATOM 0 HB1 ALA A 640 10.722 4.082 9.668 1.00 0.00 H new ATOM 0 HB2 ALA A 640 10.642 4.292 11.434 1.00 0.00 H new ATOM 0 HB3 ALA A 640 9.471 5.126 10.385 1.00 0.00 H new ATOM 2078 N VAL A 641 10.627 7.780 8.851 1.00 0.00 N ATOM 2079 CA VAL A 641 10.629 8.528 7.589 1.00 0.00 C ATOM 2080 C VAL A 641 12.055 9.019 7.323 1.00 0.00 C ATOM 2081 O VAL A 641 12.548 8.930 6.197 1.00 0.00 O ATOM 2082 CB VAL A 641 9.631 9.705 7.650 1.00 0.00 C ATOM 2083 CG1 VAL A 641 9.662 10.573 6.383 1.00 0.00 C ATOM 2084 CG2 VAL A 641 8.189 9.234 7.858 1.00 0.00 C ATOM 0 H VAL A 641 10.029 8.180 9.574 1.00 0.00 H new ATOM 0 HA VAL A 641 10.309 7.882 6.771 1.00 0.00 H new ATOM 0 HB VAL A 641 9.954 10.298 8.506 1.00 0.00 H new ATOM 0 HG11 VAL A 641 8.941 11.385 6.480 1.00 0.00 H new ATOM 0 HG12 VAL A 641 10.661 10.989 6.251 1.00 0.00 H new ATOM 0 HG13 VAL A 641 9.406 9.962 5.517 1.00 0.00 H new ATOM 0 HG21 VAL A 641 7.526 10.098 7.894 1.00 0.00 H new ATOM 0 HG22 VAL A 641 7.895 8.585 7.033 1.00 0.00 H new ATOM 0 HG23 VAL A 641 8.118 8.683 8.796 1.00 0.00 H new ATOM 2094 N THR A 642 12.708 9.502 8.380 1.00 0.00 N ATOM 2095 CA THR A 642 14.069 9.985 8.414 1.00 0.00 C ATOM 2096 C THR A 642 14.990 8.791 8.153 1.00 0.00 C ATOM 2097 O THR A 642 15.748 8.807 7.187 1.00 0.00 O ATOM 2098 CB THR A 642 14.242 10.647 9.799 1.00 0.00 C ATOM 2099 OG1 THR A 642 13.319 11.723 9.944 1.00 0.00 O ATOM 2100 CG2 THR A 642 15.648 11.186 10.056 1.00 0.00 C ATOM 0 H THR A 642 12.259 9.566 9.294 1.00 0.00 H new ATOM 0 HA THR A 642 14.316 10.727 7.654 1.00 0.00 H new ATOM 0 HB THR A 642 14.055 9.858 10.527 1.00 0.00 H new ATOM 0 HG1 THR A 642 13.434 12.136 10.825 1.00 0.00 H new ATOM 0 HG21 THR A 642 15.690 11.635 11.048 1.00 0.00 H new ATOM 0 HG22 THR A 642 16.367 10.369 9.997 1.00 0.00 H new ATOM 0 HG23 THR A 642 15.892 11.939 9.306 1.00 0.00 H new ATOM 2108 N THR A 643 14.885 7.725 8.952 1.00 0.00 N ATOM 2109 CA THR A 643 15.811 6.605 8.848 1.00 0.00 C ATOM 2110 C THR A 643 15.706 5.884 7.490 1.00 0.00 C ATOM 2111 O THR A 643 16.720 5.489 6.917 1.00 0.00 O ATOM 2112 CB THR A 643 15.603 5.652 10.037 1.00 0.00 C ATOM 2113 OG1 THR A 643 15.593 6.382 11.251 1.00 0.00 O ATOM 2114 CG2 THR A 643 16.724 4.616 10.156 1.00 0.00 C ATOM 0 H THR A 643 14.171 7.619 9.672 1.00 0.00 H new ATOM 0 HA THR A 643 16.829 6.992 8.893 1.00 0.00 H new ATOM 0 HB THR A 643 14.654 5.146 9.859 1.00 0.00 H new ATOM 0 HG1 THR A 643 14.705 6.773 11.390 1.00 0.00 H new ATOM 0 HG21 THR A 643 16.531 3.967 11.010 1.00 0.00 H new ATOM 0 HG22 THR A 643 16.763 4.016 9.247 1.00 0.00 H new ATOM 0 HG23 THR A 643 17.677 5.126 10.296 1.00 0.00 H new ATOM 2122 N TYR A 644 14.494 5.741 6.948 1.00 0.00 N ATOM 2123 CA TYR A 644 14.224 5.145 5.651 1.00 0.00 C ATOM 2124 C TYR A 644 14.906 5.958 4.551 1.00 0.00 C ATOM 2125 O TYR A 644 15.672 5.406 3.760 1.00 0.00 O ATOM 2126 CB TYR A 644 12.704 5.058 5.466 1.00 0.00 C ATOM 2127 CG TYR A 644 12.276 4.301 4.241 1.00 0.00 C ATOM 2128 CD1 TYR A 644 12.146 2.907 4.314 1.00 0.00 C ATOM 2129 CD2 TYR A 644 12.013 4.979 3.042 1.00 0.00 C ATOM 2130 CE1 TYR A 644 11.814 2.171 3.168 1.00 0.00 C ATOM 2131 CE2 TYR A 644 11.622 4.259 1.904 1.00 0.00 C ATOM 2132 CZ TYR A 644 11.548 2.850 1.956 1.00 0.00 C ATOM 2133 OH TYR A 644 11.210 2.159 0.838 1.00 0.00 O ATOM 0 H TYR A 644 13.647 6.051 7.424 1.00 0.00 H new ATOM 0 HA TYR A 644 14.633 4.136 5.591 1.00 0.00 H new ATOM 0 HB2 TYR A 644 12.269 4.582 6.345 1.00 0.00 H new ATOM 0 HB3 TYR A 644 12.297 6.068 5.416 1.00 0.00 H new ATOM 0 HD1 TYR A 644 12.302 2.399 5.254 1.00 0.00 H new ATOM 0 HD2 TYR A 644 12.111 6.053 2.995 1.00 0.00 H new ATOM 0 HE1 TYR A 644 11.762 1.093 3.210 1.00 0.00 H new ATOM 0 HE2 TYR A 644 11.378 4.781 0.990 1.00 0.00 H new ATOM 0 HH TYR A 644 11.061 2.785 0.099 1.00 0.00 H new ATOM 2143 N ASN A 645 14.691 7.280 4.560 1.00 0.00 N ATOM 2144 CA ASN A 645 15.389 8.229 3.687 1.00 0.00 C ATOM 2145 C ASN A 645 16.905 8.057 3.846 1.00 0.00 C ATOM 2146 O ASN A 645 17.637 8.142 2.863 1.00 0.00 O ATOM 2147 CB ASN A 645 15.011 9.684 4.047 1.00 0.00 C ATOM 2148 CG ASN A 645 13.936 10.294 3.167 1.00 0.00 C ATOM 2149 OD1 ASN A 645 14.220 10.951 2.165 1.00 0.00 O ATOM 2150 ND2 ASN A 645 12.680 10.184 3.562 1.00 0.00 N ATOM 0 H ASN A 645 14.017 7.725 5.183 1.00 0.00 H new ATOM 0 HA ASN A 645 15.093 8.028 2.657 1.00 0.00 H new ATOM 0 HB2 ASN A 645 14.673 9.712 5.083 1.00 0.00 H new ATOM 0 HB3 ASN A 645 15.906 10.303 3.987 1.00 0.00 H new ATOM 0 HD21 ASN A 645 11.938 10.645 3.036 1.00 0.00 H new ATOM 0 HD22 ASN A 645 12.453 9.638 4.393 1.00 0.00 H new ATOM 2157 N GLY A 646 17.386 7.798 5.065 1.00 0.00 N ATOM 2158 CA GLY A 646 18.764 7.460 5.391 1.00 0.00 C ATOM 2159 C GLY A 646 19.281 6.313 4.538 1.00 0.00 C ATOM 2160 O GLY A 646 20.232 6.509 3.781 1.00 0.00 O ATOM 0 H GLY A 646 16.788 7.821 5.891 1.00 0.00 H new ATOM 0 HA2 GLY A 646 19.397 8.335 5.245 1.00 0.00 H new ATOM 0 HA3 GLY A 646 18.832 7.189 6.445 1.00 0.00 H new ATOM 2164 N TYR A 647 18.655 5.134 4.603 1.00 0.00 N ATOM 2165 CA TYR A 647 19.053 3.999 3.767 1.00 0.00 C ATOM 2166 C TYR A 647 19.010 4.381 2.291 1.00 0.00 C ATOM 2167 O TYR A 647 19.896 3.997 1.525 1.00 0.00 O ATOM 2168 CB TYR A 647 18.145 2.784 3.993 1.00 0.00 C ATOM 2169 CG TYR A 647 18.022 2.331 5.430 1.00 0.00 C ATOM 2170 CD1 TYR A 647 19.168 2.017 6.183 1.00 0.00 C ATOM 2171 CD2 TYR A 647 16.749 2.215 6.013 1.00 0.00 C ATOM 2172 CE1 TYR A 647 19.048 1.612 7.522 1.00 0.00 C ATOM 2173 CE2 TYR A 647 16.627 1.829 7.355 1.00 0.00 C ATOM 2174 CZ TYR A 647 17.771 1.516 8.115 1.00 0.00 C ATOM 2175 OH TYR A 647 17.616 1.099 9.398 1.00 0.00 O ATOM 0 H TYR A 647 17.871 4.941 5.226 1.00 0.00 H new ATOM 0 HA TYR A 647 20.071 3.733 4.052 1.00 0.00 H new ATOM 0 HB2 TYR A 647 17.150 3.019 3.617 1.00 0.00 H new ATOM 0 HB3 TYR A 647 18.523 1.953 3.398 1.00 0.00 H new ATOM 0 HD1 TYR A 647 20.145 2.088 5.729 1.00 0.00 H new ATOM 0 HD2 TYR A 647 15.865 2.423 5.428 1.00 0.00 H new ATOM 0 HE1 TYR A 647 19.931 1.374 8.097 1.00 0.00 H new ATOM 0 HE2 TYR A 647 15.649 1.771 7.810 1.00 0.00 H new ATOM 0 HH TYR A 647 16.664 1.099 9.629 1.00 0.00 H new ATOM 2185 N LEU A 648 17.984 5.136 1.888 1.00 0.00 N ATOM 2186 CA LEU A 648 17.750 5.463 0.488 1.00 0.00 C ATOM 2187 C LEU A 648 18.876 6.324 -0.055 1.00 0.00 C ATOM 2188 O LEU A 648 19.236 6.172 -1.221 1.00 0.00 O ATOM 2189 CB LEU A 648 16.421 6.206 0.282 1.00 0.00 C ATOM 2190 CG LEU A 648 15.112 5.430 0.535 1.00 0.00 C ATOM 2191 CD1 LEU A 648 14.161 5.658 -0.634 1.00 0.00 C ATOM 2192 CD2 LEU A 648 15.260 3.921 0.719 1.00 0.00 C ATOM 0 H LEU A 648 17.296 5.535 2.526 1.00 0.00 H new ATOM 0 HA LEU A 648 17.707 4.516 -0.050 1.00 0.00 H new ATOM 0 HB2 LEU A 648 16.422 7.080 0.933 1.00 0.00 H new ATOM 0 HB3 LEU A 648 16.399 6.573 -0.744 1.00 0.00 H new ATOM 0 HG LEU A 648 14.737 5.821 1.481 1.00 0.00 H new ATOM 0 HD11 LEU A 648 13.234 5.112 -0.461 1.00 0.00 H new ATOM 0 HD12 LEU A 648 13.944 6.722 -0.724 1.00 0.00 H new ATOM 0 HD13 LEU A 648 14.624 5.303 -1.555 1.00 0.00 H new ATOM 0 HD21 LEU A 648 14.279 3.477 0.890 1.00 0.00 H new ATOM 0 HD22 LEU A 648 15.703 3.487 -0.177 1.00 0.00 H new ATOM 0 HD23 LEU A 648 15.904 3.720 1.576 1.00 0.00 H new ATOM 2204 N THR A 649 19.395 7.228 0.772 1.00 0.00 N ATOM 2205 CA THR A 649 20.438 8.183 0.437 1.00 0.00 C ATOM 2206 C THR A 649 21.828 7.554 0.582 1.00 0.00 C ATOM 2207 O THR A 649 22.749 8.007 -0.093 1.00 0.00 O ATOM 2208 CB THR A 649 20.282 9.413 1.352 1.00 0.00 C ATOM 2209 OG1 THR A 649 18.938 9.857 1.348 1.00 0.00 O ATOM 2210 CG2 THR A 649 21.115 10.609 0.902 1.00 0.00 C ATOM 0 H THR A 649 19.082 7.315 1.739 1.00 0.00 H new ATOM 0 HA THR A 649 20.338 8.488 -0.605 1.00 0.00 H new ATOM 0 HB THR A 649 20.615 9.083 2.336 1.00 0.00 H new ATOM 0 HG1 THR A 649 18.409 9.304 1.960 1.00 0.00 H new ATOM 0 HG21 THR A 649 20.959 11.440 1.589 1.00 0.00 H new ATOM 0 HG22 THR A 649 22.170 10.336 0.896 1.00 0.00 H new ATOM 0 HG23 THR A 649 20.812 10.906 -0.102 1.00 0.00 H new