USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=34 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 636 SER OG : rot 180:sc= 0.00052 USER MOD Set 1.2: A 637 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 624 MET CE :methyl -154:sc= -0.146 (180deg=-1.03) USER MOD Set 2.2: A 644 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 605 THR OG1 : rot 175:sc= 1.27 USER MOD Set 3.2: A 606 MET CE :methyl -146:sc= -0.0923 (180deg=-0.114) USER MOD Set 4.1: A 550 CYS SG : rot 180:sc= -0.841 USER MOD Set 4.2: A 612 THR OG1 : rot 116:sc= 1.24 USER MOD Single : A 528 THR OG1 : rot -150:sc= 0.158 USER MOD Single : A 530 SER OG : rot 180:sc= 0.00742 USER MOD Single : A 532 ASN : amide:sc= -0.0639 X(o=-0.064,f=-0.064) USER MOD Single : A 536 MET CE :methyl -146:sc= -0.326 (180deg=-0.803) USER MOD Single : A 539 HIS : no HD1:sc= -0.343 X(o=-0.34,f=0) USER MOD Single : A 543 THR OG1 : rot -75:sc= 0.0652 USER MOD Single : A 545 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 547 MET CE :methyl -145:sc= -0.129 (180deg=-0.262) USER MOD Single : A 551 MET CE :methyl 173:sc= -0.5 (180deg=-0.683) USER MOD Single : A 557 MET CE :methyl -169:sc= -2.09 (180deg=-2.58) USER MOD Single : A 559 THR OG1 : rot 68:sc= 1.22 USER MOD Single : A 561 GLN : amide:sc= -1.4 X(o=-1.4,f=-1.6) USER MOD Single : A 563 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 564 TYR OH : rot 34:sc= 1.2 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 :FLIP amide:sc= -1.97 F(o=-7!,f=-2) USER MOD Single : A 576 TYR OH : rot -3:sc= 1.18 USER MOD Single : A 583 TYR OH : rot 50:sc= -0.146 USER MOD Single : A 584 THR OG1 : rot 180:sc= 0.00418 USER MOD Single : A 585 SER OG : rot 180:sc= 0 USER MOD Single : A 586 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 591 SER OG : rot -170:sc= -0.0536 USER MOD Single : A 594 THR OG1 : rot 180:sc= 0 USER MOD Single : A 595 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 597 ASN : amide:sc= -2.33! C(o=-2.3!,f=-4.7!) USER MOD Single : A 598 SER OG : rot 180:sc= 0 USER MOD Single : A 600 ASN :FLIP amide:sc= -0.0124 F(o=-1.1!,f=-0.012) USER MOD Single : A 610 TYR OH : rot 180:sc= 0 USER MOD Single : A 613 HIS : no HD1:sc= 0.544 K(o=0.54,f=-2.5!) USER MOD Single : A 616 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 623 CYS SG : rot 160:sc= -0.245 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 -69:sc= 0.105 USER MOD Single : A 642 THR OG1 : rot 180:sc= 0 USER MOD Single : A 643 THR OG1 : rot 180:sc= 0 USER MOD Single : A 645 ASN : amide:sc= 1.2 K(o=1.2,f=0) USER MOD Single : A 647 TYR OH : rot 180:sc= 0 USER MOD Single : A 649 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 214 N GLU A 524 -0.984 16.892 -6.006 1.00 0.00 N ATOM 215 CA GLU A 524 -0.537 15.595 -5.521 1.00 0.00 C ATOM 216 C GLU A 524 0.783 15.710 -4.766 1.00 0.00 C ATOM 217 O GLU A 524 1.515 16.691 -4.909 1.00 0.00 O ATOM 218 CB GLU A 524 -0.460 14.550 -6.654 1.00 0.00 C ATOM 219 CG GLU A 524 0.687 14.744 -7.667 1.00 0.00 C ATOM 220 CD GLU A 524 0.233 15.300 -9.018 1.00 0.00 C ATOM 221 OE1 GLU A 524 0.040 16.529 -9.158 1.00 0.00 O ATOM 222 OE2 GLU A 524 0.136 14.494 -9.972 1.00 0.00 O ATOM 0 HA GLU A 524 -1.287 15.238 -4.815 1.00 0.00 H new ATOM 0 HB2 GLU A 524 -0.360 13.562 -6.205 1.00 0.00 H new ATOM 0 HB3 GLU A 524 -1.405 14.560 -7.197 1.00 0.00 H new ATOM 0 HG2 GLU A 524 1.428 15.419 -7.238 1.00 0.00 H new ATOM 0 HG3 GLU A 524 1.183 13.787 -7.827 1.00 0.00 H new ATOM 229 N ILE A 525 1.076 14.688 -3.966 1.00 0.00 N ATOM 230 CA ILE A 525 2.270 14.513 -3.162 1.00 0.00 C ATOM 231 C ILE A 525 2.924 13.216 -3.622 1.00 0.00 C ATOM 232 O ILE A 525 2.281 12.333 -4.203 1.00 0.00 O ATOM 233 CB ILE A 525 1.914 14.459 -1.655 1.00 0.00 C ATOM 234 CG1 ILE A 525 0.750 15.410 -1.313 1.00 0.00 C ATOM 235 CG2 ILE A 525 3.108 14.788 -0.742 1.00 0.00 C ATOM 236 CD1 ILE A 525 -0.583 14.675 -1.306 1.00 0.00 C ATOM 0 H ILE A 525 0.432 13.904 -3.859 1.00 0.00 H new ATOM 0 HA ILE A 525 2.954 15.352 -3.289 1.00 0.00 H new ATOM 0 HB ILE A 525 1.615 13.428 -1.467 1.00 0.00 H new ATOM 0 HG12 ILE A 525 0.923 15.863 -0.337 1.00 0.00 H new ATOM 0 HG13 ILE A 525 0.716 16.222 -2.039 1.00 0.00 H new ATOM 0 HG21 ILE A 525 2.795 14.733 0.301 1.00 0.00 H new ATOM 0 HG22 ILE A 525 3.909 14.070 -0.918 1.00 0.00 H new ATOM 0 HG23 ILE A 525 3.467 15.794 -0.961 1.00 0.00 H new ATOM 0 HD11 ILE A 525 -1.383 15.374 -1.061 1.00 0.00 H new ATOM 0 HD12 ILE A 525 -0.766 14.244 -2.290 1.00 0.00 H new ATOM 0 HD13 ILE A 525 -0.556 13.880 -0.561 1.00 0.00 H new ATOM 248 N LEU A 526 4.200 13.093 -3.297 1.00 0.00 N ATOM 249 CA LEU A 526 5.040 11.947 -3.589 1.00 0.00 C ATOM 250 C LEU A 526 6.048 11.768 -2.444 1.00 0.00 C ATOM 251 O LEU A 526 5.980 12.468 -1.428 1.00 0.00 O ATOM 252 CB LEU A 526 5.694 12.115 -4.972 1.00 0.00 C ATOM 253 CG LEU A 526 5.861 10.754 -5.681 1.00 0.00 C ATOM 254 CD1 LEU A 526 4.550 10.305 -6.344 1.00 0.00 C ATOM 255 CD2 LEU A 526 6.960 10.816 -6.741 1.00 0.00 C ATOM 0 H LEU A 526 4.702 13.827 -2.797 1.00 0.00 H new ATOM 0 HA LEU A 526 4.452 11.031 -3.645 1.00 0.00 H new ATOM 0 HB2 LEU A 526 5.084 12.776 -5.588 1.00 0.00 H new ATOM 0 HB3 LEU A 526 6.668 12.592 -4.861 1.00 0.00 H new ATOM 0 HG LEU A 526 6.140 10.030 -4.915 1.00 0.00 H new ATOM 0 HD11 LEU A 526 4.701 9.343 -6.835 1.00 0.00 H new ATOM 0 HD12 LEU A 526 3.773 10.207 -5.585 1.00 0.00 H new ATOM 0 HD13 LEU A 526 4.244 11.045 -7.083 1.00 0.00 H new ATOM 0 HD21 LEU A 526 7.055 9.843 -7.224 1.00 0.00 H new ATOM 0 HD22 LEU A 526 6.704 11.568 -7.487 1.00 0.00 H new ATOM 0 HD23 LEU A 526 7.906 11.081 -6.269 1.00 0.00 H new ATOM 267 N GLY A 527 6.986 10.831 -2.585 1.00 0.00 N ATOM 268 CA GLY A 527 8.048 10.618 -1.617 1.00 0.00 C ATOM 269 C GLY A 527 7.579 9.821 -0.403 1.00 0.00 C ATOM 270 O GLY A 527 6.430 9.373 -0.325 1.00 0.00 O ATOM 0 H GLY A 527 7.025 10.196 -3.383 1.00 0.00 H new ATOM 0 HA2 GLY A 527 8.873 10.091 -2.097 1.00 0.00 H new ATOM 0 HA3 GLY A 527 8.434 11.583 -1.288 1.00 0.00 H new ATOM 274 N THR A 528 8.484 9.612 0.549 1.00 0.00 N ATOM 275 CA THR A 528 8.149 9.058 1.844 1.00 0.00 C ATOM 276 C THR A 528 7.456 10.168 2.650 1.00 0.00 C ATOM 277 O THR A 528 7.747 11.360 2.487 1.00 0.00 O ATOM 278 CB THR A 528 9.417 8.488 2.510 1.00 0.00 C ATOM 279 OG1 THR A 528 10.128 7.687 1.577 1.00 0.00 O ATOM 280 CG2 THR A 528 9.091 7.599 3.718 1.00 0.00 C ATOM 0 H THR A 528 9.475 9.826 0.436 1.00 0.00 H new ATOM 0 HA THR A 528 7.459 8.217 1.773 1.00 0.00 H new ATOM 0 HB THR A 528 10.007 9.342 2.843 1.00 0.00 H new ATOM 0 HG1 THR A 528 10.610 6.980 2.054 1.00 0.00 H new ATOM 0 HG21 THR A 528 10.017 7.222 4.152 1.00 0.00 H new ATOM 0 HG22 THR A 528 8.551 8.182 4.464 1.00 0.00 H new ATOM 0 HG23 THR A 528 8.473 6.761 3.397 1.00 0.00 H new ATOM 288 N VAL A 529 6.511 9.784 3.496 1.00 0.00 N ATOM 289 CA VAL A 529 5.691 10.642 4.341 1.00 0.00 C ATOM 290 C VAL A 529 5.467 9.944 5.688 1.00 0.00 C ATOM 291 O VAL A 529 5.885 8.803 5.901 1.00 0.00 O ATOM 292 CB VAL A 529 4.363 11.007 3.629 1.00 0.00 C ATOM 293 CG1 VAL A 529 4.589 12.007 2.485 1.00 0.00 C ATOM 294 CG2 VAL A 529 3.627 9.782 3.069 1.00 0.00 C ATOM 0 H VAL A 529 6.281 8.798 3.619 1.00 0.00 H new ATOM 0 HA VAL A 529 6.204 11.585 4.529 1.00 0.00 H new ATOM 0 HB VAL A 529 3.741 11.461 4.401 1.00 0.00 H new ATOM 0 HG11 VAL A 529 3.635 12.238 2.010 1.00 0.00 H new ATOM 0 HG12 VAL A 529 5.028 12.922 2.883 1.00 0.00 H new ATOM 0 HG13 VAL A 529 5.264 11.571 1.749 1.00 0.00 H new ATOM 0 HG21 VAL A 529 2.705 10.102 2.583 1.00 0.00 H new ATOM 0 HG22 VAL A 529 4.263 9.276 2.343 1.00 0.00 H new ATOM 0 HG23 VAL A 529 3.389 9.097 3.883 1.00 0.00 H new ATOM 304 N SER A 530 4.812 10.644 6.605 1.00 0.00 N ATOM 305 CA SER A 530 4.588 10.264 7.989 1.00 0.00 C ATOM 306 C SER A 530 3.085 10.034 8.180 1.00 0.00 C ATOM 307 O SER A 530 2.423 10.699 8.977 1.00 0.00 O ATOM 308 CB SER A 530 5.186 11.376 8.874 1.00 0.00 C ATOM 309 OG SER A 530 5.132 12.657 8.251 1.00 0.00 O ATOM 0 H SER A 530 4.398 11.550 6.385 1.00 0.00 H new ATOM 0 HA SER A 530 5.079 9.333 8.273 1.00 0.00 H new ATOM 0 HB2 SER A 530 4.646 11.413 9.820 1.00 0.00 H new ATOM 0 HB3 SER A 530 6.222 11.132 9.107 1.00 0.00 H new ATOM 0 HG SER A 530 5.520 13.329 8.850 1.00 0.00 H new ATOM 315 N TRP A 531 2.527 9.142 7.366 1.00 0.00 N ATOM 316 CA TRP A 531 1.145 8.689 7.409 1.00 0.00 C ATOM 317 C TRP A 531 1.148 7.337 8.136 1.00 0.00 C ATOM 318 O TRP A 531 2.155 6.942 8.733 1.00 0.00 O ATOM 319 CB TRP A 531 0.583 8.613 5.973 1.00 0.00 C ATOM 320 CG TRP A 531 0.583 9.875 5.154 1.00 0.00 C ATOM 321 CD1 TRP A 531 0.915 11.108 5.598 1.00 0.00 C ATOM 322 CD2 TRP A 531 0.283 10.053 3.731 1.00 0.00 C ATOM 323 NE1 TRP A 531 0.870 12.009 4.560 1.00 0.00 N ATOM 324 CE2 TRP A 531 0.530 11.412 3.377 1.00 0.00 C ATOM 325 CE3 TRP A 531 -0.123 9.202 2.682 1.00 0.00 C ATOM 326 CZ2 TRP A 531 0.439 11.889 2.064 1.00 0.00 C ATOM 327 CZ3 TRP A 531 -0.213 9.662 1.356 1.00 0.00 C ATOM 328 CH2 TRP A 531 0.080 11.000 1.042 1.00 0.00 C ATOM 0 H TRP A 531 3.058 8.693 6.619 1.00 0.00 H new ATOM 0 HA TRP A 531 0.493 9.376 7.948 1.00 0.00 H new ATOM 0 HB2 TRP A 531 1.154 7.860 5.429 1.00 0.00 H new ATOM 0 HB3 TRP A 531 -0.444 8.252 6.033 1.00 0.00 H new ATOM 0 HD1 TRP A 531 1.177 11.350 6.617 1.00 0.00 H new ATOM 0 HE1 TRP A 531 1.067 13.005 4.660 1.00 0.00 H new ATOM 0 HE3 TRP A 531 -0.370 8.174 2.902 1.00 0.00 H new ATOM 0 HZ2 TRP A 531 0.642 12.926 1.842 1.00 0.00 H new ATOM 0 HZ3 TRP A 531 -0.510 8.981 0.572 1.00 0.00 H new ATOM 0 HH2 TRP A 531 0.029 11.341 0.019 1.00 0.00 H new ATOM 339 N ASN A 532 0.027 6.609 8.128 1.00 0.00 N ATOM 340 CA ASN A 532 -0.038 5.305 8.791 1.00 0.00 C ATOM 341 C ASN A 532 -0.757 4.317 7.899 1.00 0.00 C ATOM 342 O ASN A 532 -0.139 3.768 6.990 1.00 0.00 O ATOM 343 CB ASN A 532 -0.654 5.426 10.191 1.00 0.00 C ATOM 344 CG ASN A 532 0.356 6.083 11.105 1.00 0.00 C ATOM 345 OD1 ASN A 532 1.240 5.414 11.629 1.00 0.00 O ATOM 346 ND2 ASN A 532 0.277 7.393 11.256 1.00 0.00 N ATOM 0 H ASN A 532 -0.840 6.898 7.674 1.00 0.00 H new ATOM 0 HA ASN A 532 0.970 4.922 8.948 1.00 0.00 H new ATOM 0 HB2 ASN A 532 -1.570 6.016 10.152 1.00 0.00 H new ATOM 0 HB3 ASN A 532 -0.925 4.441 10.572 1.00 0.00 H new ATOM 0 HD21 ASN A 532 0.967 7.883 11.825 1.00 0.00 H new ATOM 0 HD22 ASN A 532 -0.474 7.914 10.803 1.00 0.00 H new ATOM 353 N LEU A 533 -2.059 4.110 8.106 1.00 0.00 N ATOM 354 CA LEU A 533 -2.834 3.142 7.345 1.00 0.00 C ATOM 355 C LEU A 533 -4.067 3.839 6.803 1.00 0.00 C ATOM 356 O LEU A 533 -4.172 3.995 5.593 1.00 0.00 O ATOM 357 CB LEU A 533 -3.130 1.902 8.214 1.00 0.00 C ATOM 358 CG LEU A 533 -3.574 0.622 7.474 1.00 0.00 C ATOM 359 CD1 LEU A 533 -4.922 0.754 6.765 1.00 0.00 C ATOM 360 CD2 LEU A 533 -2.544 0.142 6.447 1.00 0.00 C ATOM 0 H LEU A 533 -2.602 4.612 8.808 1.00 0.00 H new ATOM 0 HA LEU A 533 -2.278 2.764 6.487 1.00 0.00 H new ATOM 0 HB2 LEU A 533 -2.234 1.668 8.789 1.00 0.00 H new ATOM 0 HB3 LEU A 533 -3.908 2.167 8.930 1.00 0.00 H new ATOM 0 HG LEU A 533 -3.670 -0.113 8.273 1.00 0.00 H new ATOM 0 HD11 LEU A 533 -5.165 -0.185 6.268 1.00 0.00 H new ATOM 0 HD12 LEU A 533 -5.696 0.989 7.496 1.00 0.00 H new ATOM 0 HD13 LEU A 533 -4.867 1.552 6.025 1.00 0.00 H new ATOM 0 HD21 LEU A 533 -2.911 -0.761 5.959 1.00 0.00 H new ATOM 0 HD22 LEU A 533 -2.385 0.920 5.700 1.00 0.00 H new ATOM 0 HD23 LEU A 533 -1.602 -0.075 6.951 1.00 0.00 H new ATOM 372 N ARG A 534 -4.980 4.306 7.662 1.00 0.00 N ATOM 373 CA ARG A 534 -6.235 4.901 7.199 1.00 0.00 C ATOM 374 C ARG A 534 -5.998 6.138 6.327 1.00 0.00 C ATOM 375 O ARG A 534 -6.740 6.318 5.367 1.00 0.00 O ATOM 376 CB ARG A 534 -7.156 5.283 8.353 1.00 0.00 C ATOM 377 CG ARG A 534 -7.539 4.187 9.357 1.00 0.00 C ATOM 378 CD ARG A 534 -8.774 4.706 10.106 1.00 0.00 C ATOM 379 NE ARG A 534 -8.935 4.152 11.462 1.00 0.00 N ATOM 380 CZ ARG A 534 -9.586 4.769 12.457 1.00 0.00 C ATOM 381 NH1 ARG A 534 -10.258 5.896 12.250 1.00 0.00 N ATOM 382 NH2 ARG A 534 -9.515 4.269 13.681 1.00 0.00 N ATOM 0 H ARG A 534 -4.873 4.283 8.676 1.00 0.00 H new ATOM 0 HA ARG A 534 -6.719 4.128 6.602 1.00 0.00 H new ATOM 0 HB2 ARG A 534 -6.681 6.093 8.907 1.00 0.00 H new ATOM 0 HB3 ARG A 534 -8.076 5.684 7.928 1.00 0.00 H new ATOM 0 HG2 ARG A 534 -7.759 3.250 8.845 1.00 0.00 H new ATOM 0 HG3 ARG A 534 -6.720 3.988 10.048 1.00 0.00 H new ATOM 0 HD2 ARG A 534 -8.714 5.792 10.174 1.00 0.00 H new ATOM 0 HD3 ARG A 534 -9.664 4.472 9.522 1.00 0.00 H new ATOM 0 HE ARG A 534 -8.524 3.239 11.656 1.00 0.00 H new ATOM 0 HH11 ARG A 534 -10.286 6.309 11.318 1.00 0.00 H new ATOM 0 HH12 ARG A 534 -10.746 6.348 13.023 1.00 0.00 H new ATOM 0 HH21 ARG A 534 -8.970 3.425 13.856 1.00 0.00 H new ATOM 0 HH22 ARG A 534 -10.005 4.728 14.449 1.00 0.00 H new ATOM 396 N GLU A 535 -4.964 6.937 6.625 1.00 0.00 N ATOM 397 CA GLU A 535 -4.586 8.094 5.806 1.00 0.00 C ATOM 398 C GLU A 535 -4.331 7.651 4.363 1.00 0.00 C ATOM 399 O GLU A 535 -4.809 8.235 3.392 1.00 0.00 O ATOM 400 CB GLU A 535 -3.299 8.714 6.344 1.00 0.00 C ATOM 401 CG GLU A 535 -3.505 9.385 7.706 1.00 0.00 C ATOM 402 CD GLU A 535 -3.352 10.909 7.765 1.00 0.00 C ATOM 403 OE1 GLU A 535 -2.658 11.505 6.909 1.00 0.00 O ATOM 404 OE2 GLU A 535 -3.853 11.493 8.755 1.00 0.00 O ATOM 0 H GLU A 535 -4.367 6.798 7.440 1.00 0.00 H new ATOM 0 HA GLU A 535 -5.398 8.820 5.840 1.00 0.00 H new ATOM 0 HB2 GLU A 535 -2.535 7.941 6.433 1.00 0.00 H new ATOM 0 HB3 GLU A 535 -2.926 9.450 5.631 1.00 0.00 H new ATOM 0 HG2 GLU A 535 -4.504 9.132 8.060 1.00 0.00 H new ATOM 0 HG3 GLU A 535 -2.797 8.947 8.409 1.00 0.00 H new ATOM 411 N MET A 536 -3.524 6.597 4.242 1.00 0.00 N ATOM 412 CA MET A 536 -3.056 6.057 2.988 1.00 0.00 C ATOM 413 C MET A 536 -4.224 5.417 2.247 1.00 0.00 C ATOM 414 O MET A 536 -4.283 5.554 1.029 1.00 0.00 O ATOM 415 CB MET A 536 -1.951 5.039 3.272 1.00 0.00 C ATOM 416 CG MET A 536 -0.751 5.655 4.012 1.00 0.00 C ATOM 417 SD MET A 536 0.749 5.830 3.016 1.00 0.00 S ATOM 418 CE MET A 536 1.210 4.107 2.854 1.00 0.00 C ATOM 0 H MET A 536 -3.172 6.085 5.051 1.00 0.00 H new ATOM 0 HA MET A 536 -2.648 6.847 2.357 1.00 0.00 H new ATOM 0 HB2 MET A 536 -2.359 4.222 3.867 1.00 0.00 H new ATOM 0 HB3 MET A 536 -1.610 4.608 2.331 1.00 0.00 H new ATOM 0 HG2 MET A 536 -1.038 6.638 4.385 1.00 0.00 H new ATOM 0 HG3 MET A 536 -0.523 5.038 4.881 1.00 0.00 H new ATOM 0 HE1 MET A 536 2.296 4.021 2.838 1.00 0.00 H new ATOM 0 HE2 MET A 536 0.814 3.543 3.699 1.00 0.00 H new ATOM 0 HE3 MET A 536 0.801 3.707 1.926 1.00 0.00 H new ATOM 428 N LEU A 537 -5.166 4.783 2.965 1.00 0.00 N ATOM 429 CA LEU A 537 -6.424 4.326 2.381 1.00 0.00 C ATOM 430 C LEU A 537 -7.116 5.484 1.692 1.00 0.00 C ATOM 431 O LEU A 537 -7.344 5.377 0.496 1.00 0.00 O ATOM 432 CB LEU A 537 -7.394 3.659 3.382 1.00 0.00 C ATOM 433 CG LEU A 537 -6.839 2.424 4.102 1.00 0.00 C ATOM 434 CD1 LEU A 537 -7.922 1.722 4.933 1.00 0.00 C ATOM 435 CD2 LEU A 537 -6.295 1.389 3.127 1.00 0.00 C ATOM 0 H LEU A 537 -5.072 4.577 3.960 1.00 0.00 H new ATOM 0 HA LEU A 537 -6.155 3.548 1.667 1.00 0.00 H new ATOM 0 HB2 LEU A 537 -7.683 4.397 4.130 1.00 0.00 H new ATOM 0 HB3 LEU A 537 -8.301 3.373 2.849 1.00 0.00 H new ATOM 0 HG LEU A 537 -6.040 2.798 4.742 1.00 0.00 H new ATOM 0 HD11 LEU A 537 -7.493 0.851 5.429 1.00 0.00 H new ATOM 0 HD12 LEU A 537 -8.310 2.412 5.682 1.00 0.00 H new ATOM 0 HD13 LEU A 537 -8.733 1.403 4.279 1.00 0.00 H new ATOM 0 HD21 LEU A 537 -5.913 0.532 3.682 1.00 0.00 H new ATOM 0 HD22 LEU A 537 -7.093 1.063 2.460 1.00 0.00 H new ATOM 0 HD23 LEU A 537 -5.489 1.830 2.540 1.00 0.00 H new ATOM 447 N ALA A 538 -7.440 6.564 2.411 1.00 0.00 N ATOM 448 CA ALA A 538 -8.198 7.668 1.838 1.00 0.00 C ATOM 449 C ALA A 538 -7.476 8.221 0.611 1.00 0.00 C ATOM 450 O ALA A 538 -8.076 8.374 -0.449 1.00 0.00 O ATOM 451 CB ALA A 538 -8.421 8.756 2.900 1.00 0.00 C ATOM 0 H ALA A 538 -7.186 6.692 3.391 1.00 0.00 H new ATOM 0 HA ALA A 538 -9.175 7.308 1.514 1.00 0.00 H new ATOM 0 HB1 ALA A 538 -8.988 9.579 2.465 1.00 0.00 H new ATOM 0 HB2 ALA A 538 -8.976 8.337 3.739 1.00 0.00 H new ATOM 0 HB3 ALA A 538 -7.457 9.126 3.250 1.00 0.00 H new ATOM 457 N HIS A 539 -6.168 8.456 0.721 1.00 0.00 N ATOM 458 CA HIS A 539 -5.326 8.934 -0.372 1.00 0.00 C ATOM 459 C HIS A 539 -5.453 8.021 -1.604 1.00 0.00 C ATOM 460 O HIS A 539 -5.679 8.465 -2.727 1.00 0.00 O ATOM 461 CB HIS A 539 -3.881 8.993 0.163 1.00 0.00 C ATOM 462 CG HIS A 539 -2.975 9.816 -0.707 1.00 0.00 C ATOM 463 ND1 HIS A 539 -2.988 11.187 -0.766 1.00 0.00 N ATOM 464 CD2 HIS A 539 -2.041 9.374 -1.602 1.00 0.00 C ATOM 465 CE1 HIS A 539 -2.091 11.575 -1.680 1.00 0.00 C ATOM 466 NE2 HIS A 539 -1.472 10.494 -2.187 1.00 0.00 N ATOM 0 H HIS A 539 -5.655 8.316 1.592 1.00 0.00 H new ATOM 0 HA HIS A 539 -5.638 9.925 -0.703 1.00 0.00 H new ATOM 0 HB2 HIS A 539 -3.887 9.409 1.170 1.00 0.00 H new ATOM 0 HB3 HIS A 539 -3.484 7.981 0.239 1.00 0.00 H new ATOM 0 HD2 HIS A 539 -1.793 8.344 -1.814 1.00 0.00 H new ATOM 0 HE1 HIS A 539 -1.895 12.598 -1.966 1.00 0.00 H new ATOM 0 HE2 HIS A 539 -0.720 10.498 -2.877 1.00 0.00 H new ATOM 475 N ALA A 540 -5.279 6.718 -1.414 1.00 0.00 N ATOM 476 CA ALA A 540 -5.380 5.723 -2.467 1.00 0.00 C ATOM 477 C ALA A 540 -6.812 5.603 -3.024 1.00 0.00 C ATOM 478 O ALA A 540 -6.966 5.443 -4.230 1.00 0.00 O ATOM 479 CB ALA A 540 -4.881 4.402 -1.887 1.00 0.00 C ATOM 0 H ALA A 540 -5.059 6.318 -0.502 1.00 0.00 H new ATOM 0 HA ALA A 540 -4.769 6.019 -3.320 1.00 0.00 H new ATOM 0 HB1 ALA A 540 -4.940 3.625 -2.649 1.00 0.00 H new ATOM 0 HB2 ALA A 540 -3.846 4.515 -1.563 1.00 0.00 H new ATOM 0 HB3 ALA A 540 -5.500 4.122 -1.034 1.00 0.00 H new ATOM 485 N GLU A 541 -7.865 5.685 -2.200 1.00 0.00 N ATOM 486 CA GLU A 541 -9.265 5.655 -2.545 1.00 0.00 C ATOM 487 C GLU A 541 -9.596 6.796 -3.494 1.00 0.00 C ATOM 488 O GLU A 541 -10.245 6.596 -4.520 1.00 0.00 O ATOM 489 CB GLU A 541 -10.052 5.797 -1.221 1.00 0.00 C ATOM 490 CG GLU A 541 -11.354 5.043 -1.321 1.00 0.00 C ATOM 491 CD GLU A 541 -12.409 5.472 -0.291 1.00 0.00 C ATOM 492 OE1 GLU A 541 -12.022 5.718 0.876 1.00 0.00 O ATOM 493 OE2 GLU A 541 -13.630 5.317 -0.540 1.00 0.00 O ATOM 0 H GLU A 541 -7.732 5.782 -1.193 1.00 0.00 H new ATOM 0 HA GLU A 541 -9.528 4.726 -3.052 1.00 0.00 H new ATOM 0 HB2 GLU A 541 -9.460 5.411 -0.391 1.00 0.00 H new ATOM 0 HB3 GLU A 541 -10.245 6.849 -1.012 1.00 0.00 H new ATOM 0 HG2 GLU A 541 -11.763 5.178 -2.322 1.00 0.00 H new ATOM 0 HG3 GLU A 541 -11.155 3.978 -1.199 1.00 0.00 H new ATOM 500 N GLU A 542 -9.111 7.978 -3.139 1.00 0.00 N ATOM 501 CA GLU A 542 -9.319 9.242 -3.802 1.00 0.00 C ATOM 502 C GLU A 542 -8.820 9.176 -5.241 1.00 0.00 C ATOM 503 O GLU A 542 -9.525 9.625 -6.148 1.00 0.00 O ATOM 504 CB GLU A 542 -8.582 10.272 -2.948 1.00 0.00 C ATOM 505 CG GLU A 542 -8.561 11.699 -3.474 1.00 0.00 C ATOM 506 CD GLU A 542 -8.220 12.619 -2.301 1.00 0.00 C ATOM 507 OE1 GLU A 542 -7.068 12.552 -1.807 1.00 0.00 O ATOM 508 OE2 GLU A 542 -9.099 13.374 -1.842 1.00 0.00 O ATOM 0 H GLU A 542 -8.517 8.077 -2.316 1.00 0.00 H new ATOM 0 HA GLU A 542 -10.372 9.513 -3.885 1.00 0.00 H new ATOM 0 HB2 GLU A 542 -9.035 10.280 -1.957 1.00 0.00 H new ATOM 0 HB3 GLU A 542 -7.552 9.939 -2.825 1.00 0.00 H new ATOM 0 HG2 GLU A 542 -7.823 11.803 -4.269 1.00 0.00 H new ATOM 0 HG3 GLU A 542 -9.529 11.964 -3.900 1.00 0.00 H new ATOM 515 N THR A 543 -7.645 8.592 -5.489 1.00 0.00 N ATOM 516 CA THR A 543 -7.045 8.598 -6.821 1.00 0.00 C ATOM 517 C THR A 543 -7.087 7.230 -7.511 1.00 0.00 C ATOM 518 O THR A 543 -6.613 7.106 -8.634 1.00 0.00 O ATOM 519 CB THR A 543 -5.600 9.088 -6.740 1.00 0.00 C ATOM 520 OG1 THR A 543 -4.887 8.241 -5.868 1.00 0.00 O ATOM 521 CG2 THR A 543 -5.525 10.526 -6.243 1.00 0.00 C ATOM 0 H THR A 543 -7.091 8.109 -4.782 1.00 0.00 H new ATOM 0 HA THR A 543 -7.644 9.277 -7.428 1.00 0.00 H new ATOM 0 HB THR A 543 -5.163 9.063 -7.738 1.00 0.00 H new ATOM 0 HG1 THR A 543 -5.138 8.439 -4.942 1.00 0.00 H new ATOM 0 HG21 THR A 543 -4.483 10.841 -6.198 1.00 0.00 H new ATOM 0 HG22 THR A 543 -6.072 11.176 -6.926 1.00 0.00 H new ATOM 0 HG23 THR A 543 -5.967 10.591 -5.249 1.00 0.00 H new ATOM 529 N ARG A 544 -7.591 6.182 -6.849 1.00 0.00 N ATOM 530 CA ARG A 544 -7.410 4.778 -7.238 1.00 0.00 C ATOM 531 C ARG A 544 -5.922 4.416 -7.412 1.00 0.00 C ATOM 532 O ARG A 544 -5.616 3.476 -8.154 1.00 0.00 O ATOM 533 CB ARG A 544 -8.273 4.415 -8.471 1.00 0.00 C ATOM 534 CG ARG A 544 -9.798 4.453 -8.282 1.00 0.00 C ATOM 535 CD ARG A 544 -10.342 5.844 -7.956 1.00 0.00 C ATOM 536 NE ARG A 544 -11.772 5.970 -8.273 1.00 0.00 N ATOM 537 CZ ARG A 544 -12.282 6.653 -9.309 1.00 0.00 C ATOM 538 NH1 ARG A 544 -11.496 7.178 -10.241 1.00 0.00 N ATOM 539 NH2 ARG A 544 -13.592 6.841 -9.392 1.00 0.00 N ATOM 0 H ARG A 544 -8.152 6.290 -6.004 1.00 0.00 H new ATOM 0 HA ARG A 544 -7.772 4.158 -6.418 1.00 0.00 H new ATOM 0 HB2 ARG A 544 -8.013 5.097 -9.281 1.00 0.00 H new ATOM 0 HB3 ARG A 544 -7.996 3.413 -8.797 1.00 0.00 H new ATOM 0 HG2 ARG A 544 -10.277 4.089 -9.191 1.00 0.00 H new ATOM 0 HG3 ARG A 544 -10.073 3.768 -7.480 1.00 0.00 H new ATOM 0 HD2 ARG A 544 -10.186 6.054 -6.898 1.00 0.00 H new ATOM 0 HD3 ARG A 544 -9.780 6.592 -8.515 1.00 0.00 H new ATOM 0 HE ARG A 544 -12.431 5.499 -7.654 1.00 0.00 H new ATOM 0 HH11 ARG A 544 -10.484 7.066 -10.177 1.00 0.00 H new ATOM 0 HH12 ARG A 544 -11.904 7.694 -11.021 1.00 0.00 H new ATOM 0 HH21 ARG A 544 -14.208 6.467 -8.670 1.00 0.00 H new ATOM 0 HH22 ARG A 544 -13.984 7.360 -10.178 1.00 0.00 H new ATOM 553 N LYS A 545 -4.989 5.139 -6.766 1.00 0.00 N ATOM 554 CA LYS A 545 -3.560 4.801 -6.837 1.00 0.00 C ATOM 555 C LYS A 545 -3.363 3.425 -6.218 1.00 0.00 C ATOM 556 O LYS A 545 -4.000 3.097 -5.215 1.00 0.00 O ATOM 557 CB LYS A 545 -2.648 5.864 -6.202 1.00 0.00 C ATOM 558 CG LYS A 545 -2.312 6.947 -7.245 1.00 0.00 C ATOM 559 CD LYS A 545 -1.532 8.117 -6.639 1.00 0.00 C ATOM 560 CE LYS A 545 -1.237 9.177 -7.710 1.00 0.00 C ATOM 561 NZ LYS A 545 -0.322 10.237 -7.239 1.00 0.00 N ATOM 0 H LYS A 545 -5.200 5.956 -6.193 1.00 0.00 H new ATOM 0 HA LYS A 545 -3.259 4.781 -7.884 1.00 0.00 H new ATOM 0 HB2 LYS A 545 -3.142 6.315 -5.341 1.00 0.00 H new ATOM 0 HB3 LYS A 545 -1.732 5.400 -5.836 1.00 0.00 H new ATOM 0 HG2 LYS A 545 -1.728 6.503 -8.051 1.00 0.00 H new ATOM 0 HG3 LYS A 545 -3.235 7.320 -7.688 1.00 0.00 H new ATOM 0 HD2 LYS A 545 -2.106 8.562 -5.826 1.00 0.00 H new ATOM 0 HD3 LYS A 545 -0.598 7.756 -6.209 1.00 0.00 H new ATOM 0 HE2 LYS A 545 -0.802 8.691 -8.583 1.00 0.00 H new ATOM 0 HE3 LYS A 545 -2.174 9.631 -8.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 545 -0.161 10.922 -8.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 545 -0.745 10.723 -6.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 545 0.585 9.813 -6.958 1.00 0.00 H new ATOM 575 N LEU A 546 -2.523 2.610 -6.854 1.00 0.00 N ATOM 576 CA LEU A 546 -2.458 1.192 -6.545 1.00 0.00 C ATOM 577 C LEU A 546 -1.799 1.004 -5.174 1.00 0.00 C ATOM 578 O LEU A 546 -0.738 1.569 -4.892 1.00 0.00 O ATOM 579 CB LEU A 546 -1.734 0.436 -7.668 1.00 0.00 C ATOM 580 CG LEU A 546 -1.776 -1.100 -7.517 1.00 0.00 C ATOM 581 CD1 LEU A 546 -3.143 -1.678 -7.910 1.00 0.00 C ATOM 582 CD2 LEU A 546 -0.719 -1.733 -8.426 1.00 0.00 C ATOM 0 H LEU A 546 -1.880 2.912 -7.586 1.00 0.00 H new ATOM 0 HA LEU A 546 -3.461 0.769 -6.487 1.00 0.00 H new ATOM 0 HB2 LEU A 546 -2.181 0.710 -8.624 1.00 0.00 H new ATOM 0 HB3 LEU A 546 -0.694 0.760 -7.699 1.00 0.00 H new ATOM 0 HG LEU A 546 -1.585 -1.327 -6.468 1.00 0.00 H new ATOM 0 HD11 LEU A 546 -3.128 -2.761 -7.789 1.00 0.00 H new ATOM 0 HD12 LEU A 546 -3.916 -1.252 -7.270 1.00 0.00 H new ATOM 0 HD13 LEU A 546 -3.357 -1.432 -8.950 1.00 0.00 H new ATOM 0 HD21 LEU A 546 -0.749 -2.817 -8.319 1.00 0.00 H new ATOM 0 HD22 LEU A 546 -0.923 -1.465 -9.463 1.00 0.00 H new ATOM 0 HD23 LEU A 546 0.269 -1.368 -8.144 1.00 0.00 H new ATOM 594 N MET A 547 -2.416 0.188 -4.325 1.00 0.00 N ATOM 595 CA MET A 547 -2.006 -0.064 -2.955 1.00 0.00 C ATOM 596 C MET A 547 -1.736 -1.565 -2.791 1.00 0.00 C ATOM 597 O MET A 547 -2.643 -2.317 -2.432 1.00 0.00 O ATOM 598 CB MET A 547 -3.075 0.508 -2.011 1.00 0.00 C ATOM 599 CG MET A 547 -2.659 0.405 -0.541 1.00 0.00 C ATOM 600 SD MET A 547 -3.623 1.496 0.539 1.00 0.00 S ATOM 601 CE MET A 547 -2.541 1.541 1.990 1.00 0.00 C ATOM 0 H MET A 547 -3.251 -0.336 -4.588 1.00 0.00 H new ATOM 0 HA MET A 547 -1.074 0.439 -2.697 1.00 0.00 H new ATOM 0 HB2 MET A 547 -3.259 1.552 -2.263 1.00 0.00 H new ATOM 0 HB3 MET A 547 -4.013 -0.026 -2.160 1.00 0.00 H new ATOM 0 HG2 MET A 547 -2.776 -0.626 -0.206 1.00 0.00 H new ATOM 0 HG3 MET A 547 -1.601 0.652 -0.449 1.00 0.00 H new ATOM 0 HE1 MET A 547 -3.147 1.593 2.894 1.00 0.00 H new ATOM 0 HE2 MET A 547 -1.928 0.640 2.015 1.00 0.00 H new ATOM 0 HE3 MET A 547 -1.896 2.418 1.935 1.00 0.00 H new ATOM 611 N PRO A 548 -0.522 -2.052 -3.101 1.00 0.00 N ATOM 612 CA PRO A 548 -0.183 -3.449 -2.891 1.00 0.00 C ATOM 613 C PRO A 548 -0.156 -3.743 -1.386 1.00 0.00 C ATOM 614 O PRO A 548 0.402 -2.947 -0.621 1.00 0.00 O ATOM 615 CB PRO A 548 1.159 -3.670 -3.599 1.00 0.00 C ATOM 616 CG PRO A 548 1.732 -2.279 -3.866 1.00 0.00 C ATOM 617 CD PRO A 548 0.615 -1.289 -3.579 1.00 0.00 C ATOM 0 HA PRO A 548 -0.914 -4.143 -3.307 1.00 0.00 H new ATOM 0 HB2 PRO A 548 1.835 -4.257 -2.978 1.00 0.00 H new ATOM 0 HB3 PRO A 548 1.022 -4.220 -4.530 1.00 0.00 H new ATOM 0 HG2 PRO A 548 2.595 -2.086 -3.228 1.00 0.00 H new ATOM 0 HG3 PRO A 548 2.072 -2.191 -4.898 1.00 0.00 H new ATOM 0 HD2 PRO A 548 0.930 -0.559 -2.833 1.00 0.00 H new ATOM 0 HD3 PRO A 548 0.354 -0.732 -4.479 1.00 0.00 H new ATOM 625 N ILE A 549 -0.753 -4.861 -0.962 1.00 0.00 N ATOM 626 CA ILE A 549 -0.880 -5.272 0.438 1.00 0.00 C ATOM 627 C ILE A 549 -0.623 -6.776 0.498 1.00 0.00 C ATOM 628 O ILE A 549 -1.095 -7.513 -0.366 1.00 0.00 O ATOM 629 CB ILE A 549 -2.310 -4.983 0.955 1.00 0.00 C ATOM 630 CG1 ILE A 549 -2.724 -3.500 0.954 1.00 0.00 C ATOM 631 CG2 ILE A 549 -2.603 -5.597 2.335 1.00 0.00 C ATOM 632 CD1 ILE A 549 -2.020 -2.579 1.950 1.00 0.00 C ATOM 0 H ILE A 549 -1.176 -5.528 -1.608 1.00 0.00 H new ATOM 0 HA ILE A 549 -0.170 -4.723 1.056 1.00 0.00 H new ATOM 0 HB ILE A 549 -2.927 -5.484 0.209 1.00 0.00 H new ATOM 0 HG12 ILE A 549 -2.559 -3.104 -0.048 1.00 0.00 H new ATOM 0 HG13 ILE A 549 -3.796 -3.448 1.145 1.00 0.00 H new ATOM 0 HG21 ILE A 549 -3.623 -5.353 2.633 1.00 0.00 H new ATOM 0 HG22 ILE A 549 -2.489 -6.680 2.283 1.00 0.00 H new ATOM 0 HG23 ILE A 549 -1.905 -5.194 3.068 1.00 0.00 H new ATOM 0 HD11 ILE A 549 -2.405 -1.565 1.843 1.00 0.00 H new ATOM 0 HD12 ILE A 549 -2.204 -2.932 2.965 1.00 0.00 H new ATOM 0 HD13 ILE A 549 -0.948 -2.582 1.753 1.00 0.00 H new ATOM 644 N CYS A 550 0.051 -7.233 1.553 1.00 0.00 N ATOM 645 CA CYS A 550 0.192 -8.647 1.834 1.00 0.00 C ATOM 646 C CYS A 550 -1.003 -9.132 2.654 1.00 0.00 C ATOM 647 O CYS A 550 -1.216 -8.644 3.768 1.00 0.00 O ATOM 648 CB CYS A 550 1.500 -8.891 2.583 1.00 0.00 C ATOM 649 SG CYS A 550 1.819 -10.668 2.654 1.00 0.00 S ATOM 0 H CYS A 550 0.512 -6.627 2.232 1.00 0.00 H new ATOM 0 HA CYS A 550 0.217 -9.207 0.899 1.00 0.00 H new ATOM 0 HB2 CYS A 550 2.322 -8.381 2.080 1.00 0.00 H new ATOM 0 HB3 CYS A 550 1.439 -8.480 3.590 1.00 0.00 H new ATOM 0 HG CYS A 550 2.933 -10.884 3.289 1.00 0.00 H new ATOM 655 N MET A 551 -1.747 -10.118 2.143 1.00 0.00 N ATOM 656 CA MET A 551 -2.940 -10.643 2.807 1.00 0.00 C ATOM 657 C MET A 551 -2.637 -11.440 4.086 1.00 0.00 C ATOM 658 O MET A 551 -3.570 -11.864 4.774 1.00 0.00 O ATOM 659 CB MET A 551 -3.815 -11.437 1.823 1.00 0.00 C ATOM 660 CG MET A 551 -3.262 -12.820 1.457 1.00 0.00 C ATOM 661 SD MET A 551 -4.401 -13.880 0.524 1.00 0.00 S ATOM 662 CE MET A 551 -4.648 -12.876 -0.959 1.00 0.00 C ATOM 0 H MET A 551 -1.537 -10.574 1.255 1.00 0.00 H new ATOM 0 HA MET A 551 -3.509 -9.776 3.143 1.00 0.00 H new ATOM 0 HB2 MET A 551 -4.808 -11.559 2.256 1.00 0.00 H new ATOM 0 HB3 MET A 551 -3.935 -10.854 0.910 1.00 0.00 H new ATOM 0 HG2 MET A 551 -2.352 -12.687 0.872 1.00 0.00 H new ATOM 0 HG3 MET A 551 -2.979 -13.336 2.375 1.00 0.00 H new ATOM 0 HE1 MET A 551 -5.226 -13.442 -1.690 1.00 0.00 H new ATOM 0 HE2 MET A 551 -5.187 -11.966 -0.697 1.00 0.00 H new ATOM 0 HE3 MET A 551 -3.680 -12.614 -1.386 1.00 0.00 H new ATOM 672 N ASP A 552 -1.360 -11.674 4.401 1.00 0.00 N ATOM 673 CA ASP A 552 -0.890 -12.209 5.681 1.00 0.00 C ATOM 674 C ASP A 552 -1.203 -11.261 6.841 1.00 0.00 C ATOM 675 O ASP A 552 -1.494 -11.724 7.946 1.00 0.00 O ATOM 676 CB ASP A 552 0.626 -12.441 5.609 1.00 0.00 C ATOM 677 CG ASP A 552 1.313 -12.531 6.975 1.00 0.00 C ATOM 678 OD1 ASP A 552 1.669 -11.479 7.553 1.00 0.00 O ATOM 679 OD2 ASP A 552 1.592 -13.659 7.434 1.00 0.00 O ATOM 0 H ASP A 552 -0.598 -11.489 3.748 1.00 0.00 H new ATOM 0 HA ASP A 552 -1.411 -13.149 5.865 1.00 0.00 H new ATOM 0 HB2 ASP A 552 0.815 -13.362 5.058 1.00 0.00 H new ATOM 0 HB3 ASP A 552 1.080 -11.630 5.039 1.00 0.00 H new ATOM 684 N VAL A 553 -1.149 -9.946 6.618 1.00 0.00 N ATOM 685 CA VAL A 553 -1.194 -8.972 7.704 1.00 0.00 C ATOM 686 C VAL A 553 -2.664 -8.725 8.058 1.00 0.00 C ATOM 687 O VAL A 553 -3.250 -7.704 7.697 1.00 0.00 O ATOM 688 CB VAL A 553 -0.388 -7.708 7.327 1.00 0.00 C ATOM 689 CG1 VAL A 553 -0.198 -6.791 8.543 1.00 0.00 C ATOM 690 CG2 VAL A 553 1.015 -8.064 6.801 1.00 0.00 C ATOM 0 H VAL A 553 -1.074 -9.532 5.689 1.00 0.00 H new ATOM 0 HA VAL A 553 -0.708 -9.343 8.606 1.00 0.00 H new ATOM 0 HB VAL A 553 -0.962 -7.203 6.550 1.00 0.00 H new ATOM 0 HG11 VAL A 553 0.372 -5.910 8.249 1.00 0.00 H new ATOM 0 HG12 VAL A 553 -1.172 -6.483 8.922 1.00 0.00 H new ATOM 0 HG13 VAL A 553 0.341 -7.328 9.323 1.00 0.00 H new ATOM 0 HG21 VAL A 553 1.551 -7.150 6.547 1.00 0.00 H new ATOM 0 HG22 VAL A 553 1.566 -8.605 7.570 1.00 0.00 H new ATOM 0 HG23 VAL A 553 0.923 -8.690 5.913 1.00 0.00 H new ATOM 700 N ARG A 554 -3.300 -9.690 8.729 1.00 0.00 N ATOM 701 CA ARG A 554 -4.734 -9.683 9.026 1.00 0.00 C ATOM 702 C ARG A 554 -5.174 -8.445 9.810 1.00 0.00 C ATOM 703 O ARG A 554 -6.360 -8.116 9.754 1.00 0.00 O ATOM 704 CB ARG A 554 -5.148 -10.988 9.732 1.00 0.00 C ATOM 705 CG ARG A 554 -5.124 -12.234 8.823 1.00 0.00 C ATOM 706 CD ARG A 554 -6.145 -12.224 7.670 1.00 0.00 C ATOM 707 NE ARG A 554 -7.534 -12.189 8.154 1.00 0.00 N ATOM 708 CZ ARG A 554 -8.645 -12.066 7.415 1.00 0.00 C ATOM 709 NH1 ARG A 554 -8.596 -11.985 6.091 1.00 0.00 N ATOM 710 NH2 ARG A 554 -9.823 -12.024 8.023 1.00 0.00 N ATOM 0 H ARG A 554 -2.821 -10.516 9.088 1.00 0.00 H new ATOM 0 HA ARG A 554 -5.259 -9.630 8.072 1.00 0.00 H new ATOM 0 HB2 ARG A 554 -4.482 -11.157 10.578 1.00 0.00 H new ATOM 0 HB3 ARG A 554 -6.153 -10.866 10.136 1.00 0.00 H new ATOM 0 HG2 ARG A 554 -4.124 -12.337 8.401 1.00 0.00 H new ATOM 0 HG3 ARG A 554 -5.303 -13.116 9.438 1.00 0.00 H new ATOM 0 HD2 ARG A 554 -5.962 -11.358 7.034 1.00 0.00 H new ATOM 0 HD3 ARG A 554 -6.000 -13.110 7.052 1.00 0.00 H new ATOM 0 HE ARG A 554 -7.666 -12.267 9.162 1.00 0.00 H new ATOM 0 HH11 ARG A 554 -7.696 -12.016 5.611 1.00 0.00 H new ATOM 0 HH12 ARG A 554 -9.458 -11.892 5.554 1.00 0.00 H new ATOM 0 HH21 ARG A 554 -9.875 -12.085 9.040 1.00 0.00 H new ATOM 0 HH22 ARG A 554 -10.677 -11.931 7.474 1.00 0.00 H new ATOM 724 N ALA A 555 -4.276 -7.722 10.479 1.00 0.00 N ATOM 725 CA ALA A 555 -4.583 -6.458 11.132 1.00 0.00 C ATOM 726 C ALA A 555 -4.777 -5.331 10.114 1.00 0.00 C ATOM 727 O ALA A 555 -5.617 -4.452 10.322 1.00 0.00 O ATOM 728 CB ALA A 555 -3.457 -6.105 12.106 1.00 0.00 C ATOM 0 H ALA A 555 -3.302 -8.006 10.582 1.00 0.00 H new ATOM 0 HA ALA A 555 -5.520 -6.570 11.677 1.00 0.00 H new ATOM 0 HB1 ALA A 555 -3.684 -5.159 12.597 1.00 0.00 H new ATOM 0 HB2 ALA A 555 -3.366 -6.890 12.856 1.00 0.00 H new ATOM 0 HB3 ALA A 555 -2.518 -6.014 11.559 1.00 0.00 H new ATOM 734 N ILE A 556 -4.010 -5.327 9.024 1.00 0.00 N ATOM 735 CA ILE A 556 -4.219 -4.439 7.885 1.00 0.00 C ATOM 736 C ILE A 556 -5.518 -4.860 7.190 1.00 0.00 C ATOM 737 O ILE A 556 -6.341 -3.996 6.889 1.00 0.00 O ATOM 738 CB ILE A 556 -2.960 -4.446 6.976 1.00 0.00 C ATOM 739 CG1 ILE A 556 -1.888 -3.538 7.624 1.00 0.00 C ATOM 740 CG2 ILE A 556 -3.263 -4.023 5.532 1.00 0.00 C ATOM 741 CD1 ILE A 556 -0.594 -3.391 6.814 1.00 0.00 C ATOM 0 H ILE A 556 -3.213 -5.952 8.908 1.00 0.00 H new ATOM 0 HA ILE A 556 -4.343 -3.399 8.188 1.00 0.00 H new ATOM 0 HB ILE A 556 -2.588 -5.468 6.901 1.00 0.00 H new ATOM 0 HG12 ILE A 556 -2.317 -2.548 7.780 1.00 0.00 H new ATOM 0 HG13 ILE A 556 -1.641 -3.937 8.608 1.00 0.00 H new ATOM 0 HG21 ILE A 556 -2.345 -4.047 4.945 1.00 0.00 H new ATOM 0 HG22 ILE A 556 -3.990 -4.709 5.097 1.00 0.00 H new ATOM 0 HG23 ILE A 556 -3.670 -3.012 5.527 1.00 0.00 H new ATOM 0 HD11 ILE A 556 0.097 -2.737 7.347 1.00 0.00 H new ATOM 0 HD12 ILE A 556 -0.136 -4.371 6.680 1.00 0.00 H new ATOM 0 HD13 ILE A 556 -0.822 -2.960 5.839 1.00 0.00 H new ATOM 753 N MET A 557 -5.753 -6.161 6.990 1.00 0.00 N ATOM 754 CA MET A 557 -6.942 -6.647 6.286 1.00 0.00 C ATOM 755 C MET A 557 -8.206 -6.212 7.024 1.00 0.00 C ATOM 756 O MET A 557 -9.080 -5.565 6.449 1.00 0.00 O ATOM 757 CB MET A 557 -6.897 -8.179 6.121 1.00 0.00 C ATOM 758 CG MET A 557 -5.575 -8.682 5.521 1.00 0.00 C ATOM 759 SD MET A 557 -4.927 -7.765 4.107 1.00 0.00 S ATOM 760 CE MET A 557 -6.316 -8.112 3.029 1.00 0.00 C ATOM 0 H MET A 557 -5.128 -6.901 7.309 1.00 0.00 H new ATOM 0 HA MET A 557 -6.957 -6.208 5.288 1.00 0.00 H new ATOM 0 HB2 MET A 557 -7.049 -8.648 7.093 1.00 0.00 H new ATOM 0 HB3 MET A 557 -7.722 -8.494 5.482 1.00 0.00 H new ATOM 0 HG2 MET A 557 -4.820 -8.674 6.307 1.00 0.00 H new ATOM 0 HG3 MET A 557 -5.711 -9.721 5.220 1.00 0.00 H new ATOM 0 HE1 MET A 557 -6.070 -7.811 2.011 1.00 0.00 H new ATOM 0 HE2 MET A 557 -6.535 -9.180 3.050 1.00 0.00 H new ATOM 0 HE3 MET A 557 -7.189 -7.556 3.370 1.00 0.00 H new ATOM 770 N ALA A 558 -8.262 -6.467 8.331 1.00 0.00 N ATOM 771 CA ALA A 558 -9.337 -6.041 9.222 1.00 0.00 C ATOM 772 C ALA A 558 -9.360 -4.531 9.492 1.00 0.00 C ATOM 773 O ALA A 558 -10.191 -4.067 10.276 1.00 0.00 O ATOM 774 CB ALA A 558 -9.161 -6.769 10.542 1.00 0.00 C ATOM 0 H ALA A 558 -7.534 -6.994 8.814 1.00 0.00 H new ATOM 0 HA ALA A 558 -10.280 -6.281 8.731 1.00 0.00 H new ATOM 0 HB1 ALA A 558 -9.952 -6.470 11.230 1.00 0.00 H new ATOM 0 HB2 ALA A 558 -9.213 -7.845 10.374 1.00 0.00 H new ATOM 0 HB3 ALA A 558 -8.192 -6.515 10.971 1.00 0.00 H new ATOM 780 N THR A 559 -8.456 -3.763 8.890 1.00 0.00 N ATOM 781 CA THR A 559 -8.649 -2.339 8.668 1.00 0.00 C ATOM 782 C THR A 559 -9.327 -2.108 7.303 1.00 0.00 C ATOM 783 O THR A 559 -10.361 -1.437 7.278 1.00 0.00 O ATOM 784 CB THR A 559 -7.325 -1.567 8.836 1.00 0.00 C ATOM 785 OG1 THR A 559 -6.640 -1.927 10.027 1.00 0.00 O ATOM 786 CG2 THR A 559 -7.602 -0.068 8.950 1.00 0.00 C ATOM 0 H THR A 559 -7.565 -4.116 8.542 1.00 0.00 H new ATOM 0 HA THR A 559 -9.321 -1.939 9.428 1.00 0.00 H new ATOM 0 HB THR A 559 -6.720 -1.813 7.963 1.00 0.00 H new ATOM 0 HG1 THR A 559 -6.317 -2.849 9.952 1.00 0.00 H new ATOM 0 HG21 THR A 559 -6.660 0.468 9.068 1.00 0.00 H new ATOM 0 HG22 THR A 559 -8.106 0.279 8.048 1.00 0.00 H new ATOM 0 HG23 THR A 559 -8.238 0.120 9.815 1.00 0.00 H new ATOM 794 N ILE A 560 -8.811 -2.633 6.175 1.00 0.00 N ATOM 795 CA ILE A 560 -9.318 -2.272 4.849 1.00 0.00 C ATOM 796 C ILE A 560 -10.736 -2.815 4.706 1.00 0.00 C ATOM 797 O ILE A 560 -11.671 -2.031 4.559 1.00 0.00 O ATOM 798 CB ILE A 560 -8.344 -2.799 3.779 1.00 0.00 C ATOM 799 CG1 ILE A 560 -6.996 -2.068 3.892 1.00 0.00 C ATOM 800 CG2 ILE A 560 -8.855 -2.599 2.337 1.00 0.00 C ATOM 801 CD1 ILE A 560 -5.809 -2.813 3.271 1.00 0.00 C ATOM 0 H ILE A 560 -8.045 -3.307 6.162 1.00 0.00 H new ATOM 0 HA ILE A 560 -9.374 -1.192 4.716 1.00 0.00 H new ATOM 0 HB ILE A 560 -8.246 -3.868 3.967 1.00 0.00 H new ATOM 0 HG12 ILE A 560 -7.086 -1.093 3.414 1.00 0.00 H new ATOM 0 HG13 ILE A 560 -6.783 -1.888 4.946 1.00 0.00 H new ATOM 0 HG21 ILE A 560 -8.121 -2.992 1.633 1.00 0.00 H new ATOM 0 HG22 ILE A 560 -9.800 -3.127 2.209 1.00 0.00 H new ATOM 0 HG23 ILE A 560 -9.005 -1.536 2.148 1.00 0.00 H new ATOM 0 HD11 ILE A 560 -4.902 -2.222 3.398 1.00 0.00 H new ATOM 0 HD12 ILE A 560 -5.686 -3.777 3.764 1.00 0.00 H new ATOM 0 HD13 ILE A 560 -5.994 -2.970 2.208 1.00 0.00 H new ATOM 813 N GLN A 561 -10.936 -4.128 4.855 1.00 0.00 N ATOM 814 CA GLN A 561 -12.251 -4.744 4.708 1.00 0.00 C ATOM 815 C GLN A 561 -13.286 -4.129 5.680 1.00 0.00 C ATOM 816 O GLN A 561 -14.493 -4.287 5.505 1.00 0.00 O ATOM 817 CB GLN A 561 -12.180 -6.253 4.991 1.00 0.00 C ATOM 818 CG GLN A 561 -11.167 -7.099 4.199 1.00 0.00 C ATOM 819 CD GLN A 561 -11.323 -8.554 4.627 1.00 0.00 C ATOM 820 OE1 GLN A 561 -10.682 -9.010 5.567 1.00 0.00 O ATOM 821 NE2 GLN A 561 -12.171 -9.302 3.940 1.00 0.00 N ATOM 0 H GLN A 561 -10.192 -4.788 5.080 1.00 0.00 H new ATOM 0 HA GLN A 561 -12.564 -4.561 3.680 1.00 0.00 H new ATOM 0 HB2 GLN A 561 -11.963 -6.382 6.051 1.00 0.00 H new ATOM 0 HB3 GLN A 561 -13.171 -6.671 4.815 1.00 0.00 H new ATOM 0 HG2 GLN A 561 -11.342 -6.997 3.128 1.00 0.00 H new ATOM 0 HG3 GLN A 561 -10.151 -6.753 4.390 1.00 0.00 H new ATOM 0 HE21 GLN A 561 -12.692 -8.898 3.162 1.00 0.00 H new ATOM 0 HE22 GLN A 561 -12.303 -10.282 4.189 1.00 0.00 H new ATOM 830 N ARG A 562 -12.839 -3.471 6.759 1.00 0.00 N ATOM 831 CA ARG A 562 -13.698 -2.790 7.720 1.00 0.00 C ATOM 832 C ARG A 562 -14.154 -1.422 7.211 1.00 0.00 C ATOM 833 O ARG A 562 -15.307 -1.064 7.450 1.00 0.00 O ATOM 834 CB ARG A 562 -12.948 -2.683 9.052 1.00 0.00 C ATOM 835 CG ARG A 562 -13.902 -2.548 10.242 1.00 0.00 C ATOM 836 CD ARG A 562 -13.096 -2.600 11.541 1.00 0.00 C ATOM 837 NE ARG A 562 -13.941 -3.053 12.652 1.00 0.00 N ATOM 838 CZ ARG A 562 -13.591 -3.231 13.928 1.00 0.00 C ATOM 839 NH1 ARG A 562 -12.452 -2.753 14.418 1.00 0.00 N ATOM 840 NH2 ARG A 562 -14.411 -3.909 14.716 1.00 0.00 N ATOM 0 H ARG A 562 -11.847 -3.400 6.987 1.00 0.00 H new ATOM 0 HA ARG A 562 -14.609 -3.371 7.863 1.00 0.00 H new ATOM 0 HB2 ARG A 562 -12.323 -3.566 9.187 1.00 0.00 H new ATOM 0 HB3 ARG A 562 -12.281 -1.822 9.023 1.00 0.00 H new ATOM 0 HG2 ARG A 562 -14.451 -1.609 10.178 1.00 0.00 H new ATOM 0 HG3 ARG A 562 -14.639 -3.350 10.225 1.00 0.00 H new ATOM 0 HD2 ARG A 562 -12.248 -3.274 11.423 1.00 0.00 H new ATOM 0 HD3 ARG A 562 -12.690 -1.613 11.764 1.00 0.00 H new ATOM 0 HE ARG A 562 -14.914 -3.257 12.421 1.00 0.00 H new ATOM 0 HH11 ARG A 562 -11.816 -2.233 13.814 1.00 0.00 H new ATOM 0 HH12 ARG A 562 -12.214 -2.906 15.398 1.00 0.00 H new ATOM 0 HH21 ARG A 562 -15.285 -4.280 14.344 1.00 0.00 H new ATOM 0 HH22 ARG A 562 -14.169 -4.060 15.695 1.00 0.00 H new ATOM 854 N LYS A 563 -13.284 -0.645 6.550 1.00 0.00 N ATOM 855 CA LYS A 563 -13.662 0.615 5.904 1.00 0.00 C ATOM 856 C LYS A 563 -14.609 0.330 4.735 1.00 0.00 C ATOM 857 O LYS A 563 -15.561 1.070 4.500 1.00 0.00 O ATOM 858 CB LYS A 563 -12.407 1.338 5.367 1.00 0.00 C ATOM 859 CG LYS A 563 -12.622 2.856 5.204 1.00 0.00 C ATOM 860 CD LYS A 563 -12.154 3.678 6.418 1.00 0.00 C ATOM 861 CE LYS A 563 -10.694 4.148 6.274 1.00 0.00 C ATOM 862 NZ LYS A 563 -10.581 5.563 5.839 1.00 0.00 N ATOM 0 H LYS A 563 -12.296 -0.876 6.449 1.00 0.00 H new ATOM 0 HA LYS A 563 -14.158 1.249 6.639 1.00 0.00 H new ATOM 0 HB2 LYS A 563 -11.573 1.164 6.047 1.00 0.00 H new ATOM 0 HB3 LYS A 563 -12.129 0.909 4.405 1.00 0.00 H new ATOM 0 HG2 LYS A 563 -12.088 3.197 4.317 1.00 0.00 H new ATOM 0 HG3 LYS A 563 -13.681 3.048 5.032 1.00 0.00 H new ATOM 0 HD2 LYS A 563 -12.803 4.545 6.539 1.00 0.00 H new ATOM 0 HD3 LYS A 563 -12.253 3.077 7.322 1.00 0.00 H new ATOM 0 HE2 LYS A 563 -10.183 4.025 7.229 1.00 0.00 H new ATOM 0 HE3 LYS A 563 -10.182 3.510 5.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 563 -9.577 5.823 5.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 563 -11.043 5.680 4.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 563 -11.044 6.179 6.538 1.00 0.00 H new ATOM 876 N TYR A 564 -14.332 -0.744 3.998 1.00 0.00 N ATOM 877 CA TYR A 564 -14.943 -1.074 2.728 1.00 0.00 C ATOM 878 C TYR A 564 -15.760 -2.340 2.945 1.00 0.00 C ATOM 879 O TYR A 564 -15.236 -3.433 2.783 1.00 0.00 O ATOM 880 CB TYR A 564 -13.826 -1.255 1.679 1.00 0.00 C ATOM 881 CG TYR A 564 -12.930 -0.042 1.515 1.00 0.00 C ATOM 882 CD1 TYR A 564 -13.418 1.074 0.820 1.00 0.00 C ATOM 883 CD2 TYR A 564 -11.644 0.006 2.092 1.00 0.00 C ATOM 884 CE1 TYR A 564 -12.667 2.255 0.781 1.00 0.00 C ATOM 885 CE2 TYR A 564 -10.889 1.190 2.085 1.00 0.00 C ATOM 886 CZ TYR A 564 -11.438 2.342 1.484 1.00 0.00 C ATOM 887 OH TYR A 564 -10.767 3.514 1.625 1.00 0.00 O ATOM 0 H TYR A 564 -13.642 -1.435 4.291 1.00 0.00 H new ATOM 0 HA TYR A 564 -15.605 -0.291 2.359 1.00 0.00 H new ATOM 0 HB2 TYR A 564 -13.213 -2.111 1.960 1.00 0.00 H new ATOM 0 HB3 TYR A 564 -14.280 -1.491 0.717 1.00 0.00 H new ATOM 0 HD1 TYR A 564 -14.372 1.023 0.316 1.00 0.00 H new ATOM 0 HD2 TYR A 564 -11.233 -0.883 2.547 1.00 0.00 H new ATOM 0 HE1 TYR A 564 -13.024 3.102 0.214 1.00 0.00 H new ATOM 0 HE2 TYR A 564 -9.906 1.218 2.532 1.00 0.00 H new ATOM 0 HH TYR A 564 -11.408 4.251 1.697 1.00 0.00 H new ATOM 897 N LYS A 565 -17.017 -2.246 3.390 1.00 0.00 N ATOM 898 CA LYS A 565 -17.837 -3.425 3.616 1.00 0.00 C ATOM 899 C LYS A 565 -17.964 -4.281 2.359 1.00 0.00 C ATOM 900 O LYS A 565 -17.889 -3.752 1.248 1.00 0.00 O ATOM 901 CB LYS A 565 -19.183 -3.010 4.197 1.00 0.00 C ATOM 902 CG LYS A 565 -20.104 -2.441 3.122 1.00 0.00 C ATOM 903 CD LYS A 565 -21.562 -2.289 3.559 1.00 0.00 C ATOM 904 CE LYS A 565 -22.257 -3.650 3.457 1.00 0.00 C ATOM 905 NZ LYS A 565 -23.684 -3.589 3.814 1.00 0.00 N ATOM 0 H LYS A 565 -17.483 -1.363 3.599 1.00 0.00 H new ATOM 0 HA LYS A 565 -17.344 -4.065 4.348 1.00 0.00 H new ATOM 0 HB2 LYS A 565 -19.659 -3.871 4.667 1.00 0.00 H new ATOM 0 HB3 LYS A 565 -19.029 -2.265 4.978 1.00 0.00 H new ATOM 0 HG2 LYS A 565 -19.725 -1.466 2.814 1.00 0.00 H new ATOM 0 HG3 LYS A 565 -20.065 -3.089 2.246 1.00 0.00 H new ATOM 0 HD2 LYS A 565 -21.612 -1.917 4.582 1.00 0.00 H new ATOM 0 HD3 LYS A 565 -22.070 -1.559 2.929 1.00 0.00 H new ATOM 0 HE2 LYS A 565 -22.157 -4.029 2.440 1.00 0.00 H new ATOM 0 HE3 LYS A 565 -21.753 -4.360 4.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 565 -24.104 -4.536 3.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 565 -23.783 -3.254 4.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 565 -24.174 -2.933 3.173 1.00 0.00 H new ATOM 919 N GLY A 566 -18.302 -5.556 2.528 1.00 0.00 N ATOM 920 CA GLY A 566 -18.739 -6.424 1.440 1.00 0.00 C ATOM 921 C GLY A 566 -17.583 -7.120 0.720 1.00 0.00 C ATOM 922 O GLY A 566 -17.805 -7.912 -0.194 1.00 0.00 O ATOM 0 H GLY A 566 -18.280 -6.021 3.436 1.00 0.00 H new ATOM 0 HA2 GLY A 566 -19.418 -7.179 1.837 1.00 0.00 H new ATOM 0 HA3 GLY A 566 -19.305 -5.834 0.719 1.00 0.00 H new ATOM 926 N ILE A 567 -16.342 -6.842 1.115 1.00 0.00 N ATOM 927 CA ILE A 567 -15.138 -7.362 0.490 1.00 0.00 C ATOM 928 C ILE A 567 -14.594 -8.503 1.359 1.00 0.00 C ATOM 929 O ILE A 567 -14.456 -8.343 2.574 1.00 0.00 O ATOM 930 CB ILE A 567 -14.172 -6.182 0.288 1.00 0.00 C ATOM 931 CG1 ILE A 567 -13.026 -6.571 -0.646 1.00 0.00 C ATOM 932 CG2 ILE A 567 -13.655 -5.618 1.608 1.00 0.00 C ATOM 933 CD1 ILE A 567 -11.794 -5.659 -0.549 1.00 0.00 C ATOM 0 H ILE A 567 -16.146 -6.228 1.905 1.00 0.00 H new ATOM 0 HA ILE A 567 -15.313 -7.796 -0.495 1.00 0.00 H new ATOM 0 HB ILE A 567 -14.738 -5.380 -0.186 1.00 0.00 H new ATOM 0 HG12 ILE A 567 -12.724 -7.595 -0.425 1.00 0.00 H new ATOM 0 HG13 ILE A 567 -13.391 -6.561 -1.673 1.00 0.00 H new ATOM 0 HG21 ILE A 567 -12.978 -4.788 1.408 1.00 0.00 H new ATOM 0 HG22 ILE A 567 -14.495 -5.265 2.207 1.00 0.00 H new ATOM 0 HG23 ILE A 567 -13.123 -6.398 2.153 1.00 0.00 H new ATOM 0 HD11 ILE A 567 -11.029 -6.005 -1.244 1.00 0.00 H new ATOM 0 HD12 ILE A 567 -12.077 -4.637 -0.801 1.00 0.00 H new ATOM 0 HD13 ILE A 567 -11.400 -5.686 0.467 1.00 0.00 H new ATOM 945 N LYS A 568 -14.254 -9.657 0.777 1.00 0.00 N ATOM 946 CA LYS A 568 -14.024 -10.891 1.551 1.00 0.00 C ATOM 947 C LYS A 568 -12.716 -11.592 1.145 1.00 0.00 C ATOM 948 O LYS A 568 -12.613 -12.811 1.154 1.00 0.00 O ATOM 949 CB LYS A 568 -15.309 -11.741 1.419 1.00 0.00 C ATOM 950 CG LYS A 568 -15.359 -12.984 2.328 1.00 0.00 C ATOM 951 CD LYS A 568 -15.127 -14.291 1.551 1.00 0.00 C ATOM 952 CE LYS A 568 -14.265 -15.261 2.361 1.00 0.00 C ATOM 953 NZ LYS A 568 -13.733 -16.362 1.533 1.00 0.00 N ATOM 0 H LYS A 568 -14.131 -9.767 -0.229 1.00 0.00 H new ATOM 0 HA LYS A 568 -13.858 -10.687 2.609 1.00 0.00 H new ATOM 0 HB2 LYS A 568 -16.169 -11.110 1.643 1.00 0.00 H new ATOM 0 HB3 LYS A 568 -15.410 -12.062 0.382 1.00 0.00 H new ATOM 0 HG2 LYS A 568 -14.604 -12.890 3.108 1.00 0.00 H new ATOM 0 HG3 LYS A 568 -16.328 -13.028 2.825 1.00 0.00 H new ATOM 0 HD2 LYS A 568 -16.085 -14.756 1.319 1.00 0.00 H new ATOM 0 HD3 LYS A 568 -14.640 -14.072 0.600 1.00 0.00 H new ATOM 0 HE2 LYS A 568 -13.436 -14.716 2.814 1.00 0.00 H new ATOM 0 HE3 LYS A 568 -14.857 -15.676 3.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 -13.156 -16.993 2.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 -14.522 -16.899 1.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 -13.146 -15.970 0.770 1.00 0.00 H new ATOM 967 N ILE A 569 -11.668 -10.784 0.967 1.00 0.00 N ATOM 968 CA ILE A 569 -10.337 -11.101 0.441 1.00 0.00 C ATOM 969 C ILE A 569 -10.367 -11.875 -0.879 1.00 0.00 C ATOM 970 O ILE A 569 -11.232 -12.691 -1.176 1.00 0.00 O ATOM 971 CB ILE A 569 -9.389 -11.672 1.517 1.00 0.00 C ATOM 972 CG1 ILE A 569 -9.336 -10.757 2.755 1.00 0.00 C ATOM 973 CG2 ILE A 569 -7.949 -11.809 0.985 1.00 0.00 C ATOM 974 CD1 ILE A 569 -9.188 -9.261 2.433 1.00 0.00 C ATOM 0 H ILE A 569 -11.736 -9.796 1.211 1.00 0.00 H new ATOM 0 HA ILE A 569 -9.885 -10.149 0.162 1.00 0.00 H new ATOM 0 HB ILE A 569 -9.786 -12.651 1.784 1.00 0.00 H new ATOM 0 HG12 ILE A 569 -10.245 -10.902 3.338 1.00 0.00 H new ATOM 0 HG13 ILE A 569 -8.501 -11.065 3.384 1.00 0.00 H new ATOM 0 HG21 ILE A 569 -7.309 -12.214 1.769 1.00 0.00 H new ATOM 0 HG22 ILE A 569 -7.941 -12.481 0.126 1.00 0.00 H new ATOM 0 HG23 ILE A 569 -7.578 -10.830 0.683 1.00 0.00 H new ATOM 0 HD11 ILE A 569 -9.159 -8.690 3.361 1.00 0.00 H new ATOM 0 HD12 ILE A 569 -8.264 -9.098 1.878 1.00 0.00 H new ATOM 0 HD13 ILE A 569 -10.036 -8.933 1.831 1.00 0.00 H new ATOM 986 N GLN A 570 -9.424 -11.519 -1.736 1.00 0.00 N ATOM 987 CA GLN A 570 -9.296 -11.929 -3.119 1.00 0.00 C ATOM 988 C GLN A 570 -7.785 -12.033 -3.374 1.00 0.00 C ATOM 989 O GLN A 570 -7.005 -11.770 -2.455 1.00 0.00 O ATOM 990 CB GLN A 570 -9.964 -10.878 -4.023 1.00 0.00 C ATOM 991 CG GLN A 570 -11.304 -10.281 -3.529 1.00 0.00 C ATOM 992 CD GLN A 570 -11.170 -8.885 -2.903 1.00 0.00 C ATOM 993 OE1 GLN A 570 -10.911 -8.663 -1.610 1.00 0.00 O flip ATOM 994 NE2 GLN A 570 -11.359 -7.911 -3.618 1.00 0.00 N flip ATOM 0 H GLN A 570 -8.672 -10.888 -1.458 1.00 0.00 H new ATOM 0 HA GLN A 570 -9.784 -12.880 -3.332 1.00 0.00 H new ATOM 0 HB2 GLN A 570 -9.260 -10.058 -4.168 1.00 0.00 H new ATOM 0 HB3 GLN A 570 -10.133 -11.329 -5.001 1.00 0.00 H new ATOM 0 HG2 GLN A 570 -11.998 -10.227 -4.368 1.00 0.00 H new ATOM 0 HG3 GLN A 570 -11.743 -10.957 -2.795 1.00 0.00 H new ATOM 0 HE21 GLN A 570 -11.560 -8.038 -4.610 1.00 0.00 H new ATOM 0 HE22 GLN A 570 -11.316 -6.972 -3.222 1.00 0.00 H new ATOM 1003 N GLU A 571 -7.344 -12.386 -4.575 1.00 0.00 N ATOM 1004 CA GLU A 571 -5.951 -12.229 -4.975 1.00 0.00 C ATOM 1005 C GLU A 571 -5.916 -11.465 -6.299 1.00 0.00 C ATOM 1006 O GLU A 571 -6.945 -11.362 -6.982 1.00 0.00 O ATOM 1007 CB GLU A 571 -5.286 -13.611 -5.055 1.00 0.00 C ATOM 1008 CG GLU A 571 -3.784 -13.546 -4.725 1.00 0.00 C ATOM 1009 CD GLU A 571 -3.041 -14.873 -4.915 1.00 0.00 C ATOM 1010 OE1 GLU A 571 -3.597 -15.946 -4.572 1.00 0.00 O ATOM 1011 OE2 GLU A 571 -1.885 -14.825 -5.401 1.00 0.00 O ATOM 0 H GLU A 571 -7.940 -12.788 -5.298 1.00 0.00 H new ATOM 0 HA GLU A 571 -5.384 -11.652 -4.244 1.00 0.00 H new ATOM 0 HB2 GLU A 571 -5.781 -14.292 -4.363 1.00 0.00 H new ATOM 0 HB3 GLU A 571 -5.420 -14.021 -6.056 1.00 0.00 H new ATOM 0 HG2 GLU A 571 -3.318 -12.788 -5.354 1.00 0.00 H new ATOM 0 HG3 GLU A 571 -3.664 -13.220 -3.692 1.00 0.00 H new ATOM 1018 N GLY A 572 -4.739 -10.968 -6.670 1.00 0.00 N ATOM 1019 CA GLY A 572 -4.548 -10.128 -7.835 1.00 0.00 C ATOM 1020 C GLY A 572 -4.864 -8.675 -7.528 1.00 0.00 C ATOM 1021 O GLY A 572 -5.003 -8.259 -6.373 1.00 0.00 O ATOM 0 H GLY A 572 -3.877 -11.145 -6.154 1.00 0.00 H new ATOM 0 HA2 GLY A 572 -3.518 -10.213 -8.182 1.00 0.00 H new ATOM 0 HA3 GLY A 572 -5.187 -10.477 -8.646 1.00 0.00 H new ATOM 1025 N ILE A 573 -4.970 -7.901 -8.605 1.00 0.00 N ATOM 1026 CA ILE A 573 -5.588 -6.588 -8.589 1.00 0.00 C ATOM 1027 C ILE A 573 -6.962 -6.734 -7.934 1.00 0.00 C ATOM 1028 O ILE A 573 -7.726 -7.649 -8.253 1.00 0.00 O ATOM 1029 CB ILE A 573 -5.635 -6.030 -10.024 1.00 0.00 C ATOM 1030 CG1 ILE A 573 -4.195 -5.658 -10.450 1.00 0.00 C ATOM 1031 CG2 ILE A 573 -6.567 -4.802 -10.133 1.00 0.00 C ATOM 1032 CD1 ILE A 573 -4.049 -5.400 -11.948 1.00 0.00 C ATOM 0 H ILE A 573 -4.623 -8.177 -9.524 1.00 0.00 H new ATOM 0 HA ILE A 573 -5.018 -5.865 -8.006 1.00 0.00 H new ATOM 0 HB ILE A 573 -6.041 -6.793 -10.688 1.00 0.00 H new ATOM 0 HG12 ILE A 573 -3.882 -4.768 -9.904 1.00 0.00 H new ATOM 0 HG13 ILE A 573 -3.520 -6.463 -10.161 1.00 0.00 H new ATOM 0 HG21 ILE A 573 -6.572 -4.439 -11.161 1.00 0.00 H new ATOM 0 HG22 ILE A 573 -7.579 -5.086 -9.844 1.00 0.00 H new ATOM 0 HG23 ILE A 573 -6.209 -4.013 -9.471 1.00 0.00 H new ATOM 0 HD11 ILE A 573 -3.014 -5.145 -12.174 1.00 0.00 H new ATOM 0 HD12 ILE A 573 -4.331 -6.296 -12.501 1.00 0.00 H new ATOM 0 HD13 ILE A 573 -4.698 -4.575 -12.240 1.00 0.00 H new ATOM 1044 N VAL A 574 -7.276 -5.814 -7.034 1.00 0.00 N ATOM 1045 CA VAL A 574 -8.527 -5.726 -6.314 1.00 0.00 C ATOM 1046 C VAL A 574 -8.997 -4.295 -6.530 1.00 0.00 C ATOM 1047 O VAL A 574 -8.225 -3.352 -6.374 1.00 0.00 O ATOM 1048 CB VAL A 574 -8.270 -6.122 -4.843 1.00 0.00 C ATOM 1049 CG1 VAL A 574 -9.275 -5.500 -3.861 1.00 0.00 C ATOM 1050 CG2 VAL A 574 -8.272 -7.650 -4.711 1.00 0.00 C ATOM 0 H VAL A 574 -6.626 -5.071 -6.776 1.00 0.00 H new ATOM 0 HA VAL A 574 -9.311 -6.403 -6.653 1.00 0.00 H new ATOM 0 HB VAL A 574 -7.292 -5.723 -4.573 1.00 0.00 H new ATOM 0 HG11 VAL A 574 -9.037 -5.819 -2.846 1.00 0.00 H new ATOM 0 HG12 VAL A 574 -9.219 -4.413 -3.922 1.00 0.00 H new ATOM 0 HG13 VAL A 574 -10.283 -5.826 -4.117 1.00 0.00 H new ATOM 0 HG21 VAL A 574 -8.090 -7.926 -3.672 1.00 0.00 H new ATOM 0 HG22 VAL A 574 -9.239 -8.041 -5.027 1.00 0.00 H new ATOM 0 HG23 VAL A 574 -7.488 -8.071 -5.340 1.00 0.00 H new ATOM 1060 N ASP A 575 -10.253 -4.126 -6.924 1.00 0.00 N ATOM 1061 CA ASP A 575 -10.805 -2.826 -7.268 1.00 0.00 C ATOM 1062 C ASP A 575 -12.064 -2.654 -6.439 1.00 0.00 C ATOM 1063 O ASP A 575 -13.134 -3.119 -6.835 1.00 0.00 O ATOM 1064 CB ASP A 575 -11.032 -2.748 -8.781 1.00 0.00 C ATOM 1065 CG ASP A 575 -11.483 -1.358 -9.220 1.00 0.00 C ATOM 1066 OD1 ASP A 575 -11.738 -0.461 -8.381 1.00 0.00 O ATOM 1067 OD2 ASP A 575 -11.524 -1.112 -10.446 1.00 0.00 O ATOM 0 H ASP A 575 -10.919 -4.893 -7.014 1.00 0.00 H new ATOM 0 HA ASP A 575 -10.130 -2.002 -7.037 1.00 0.00 H new ATOM 0 HB2 ASP A 575 -10.110 -3.011 -9.300 1.00 0.00 H new ATOM 0 HB3 ASP A 575 -11.783 -3.482 -9.073 1.00 0.00 H new ATOM 1072 N TYR A 576 -11.890 -2.126 -5.226 1.00 0.00 N ATOM 1073 CA TYR A 576 -12.902 -2.115 -4.188 1.00 0.00 C ATOM 1074 C TYR A 576 -12.658 -0.902 -3.284 1.00 0.00 C ATOM 1075 O TYR A 576 -11.862 -0.972 -2.341 1.00 0.00 O ATOM 1076 CB TYR A 576 -12.860 -3.453 -3.427 1.00 0.00 C ATOM 1077 CG TYR A 576 -14.194 -3.774 -2.813 1.00 0.00 C ATOM 1078 CD1 TYR A 576 -14.645 -3.026 -1.715 1.00 0.00 C ATOM 1079 CD2 TYR A 576 -15.005 -4.775 -3.376 1.00 0.00 C ATOM 1080 CE1 TYR A 576 -15.916 -3.270 -1.177 1.00 0.00 C ATOM 1081 CE2 TYR A 576 -16.271 -5.033 -2.831 1.00 0.00 C ATOM 1082 CZ TYR A 576 -16.737 -4.274 -1.738 1.00 0.00 C ATOM 1083 OH TYR A 576 -17.975 -4.511 -1.233 1.00 0.00 O ATOM 0 H TYR A 576 -11.016 -1.685 -4.939 1.00 0.00 H new ATOM 0 HA TYR A 576 -13.904 -2.019 -4.605 1.00 0.00 H new ATOM 0 HB2 TYR A 576 -12.569 -4.252 -4.108 1.00 0.00 H new ATOM 0 HB3 TYR A 576 -12.100 -3.407 -2.647 1.00 0.00 H new ATOM 0 HD1 TYR A 576 -14.013 -2.263 -1.285 1.00 0.00 H new ATOM 0 HD2 TYR A 576 -14.654 -5.343 -4.225 1.00 0.00 H new ATOM 0 HE1 TYR A 576 -16.267 -2.692 -0.335 1.00 0.00 H new ATOM 0 HE2 TYR A 576 -16.889 -5.814 -3.249 1.00 0.00 H new ATOM 0 HH TYR A 576 -18.124 -3.940 -0.451 1.00 0.00 H new ATOM 1093 N GLY A 577 -13.298 0.227 -3.597 1.00 0.00 N ATOM 1094 CA GLY A 577 -13.044 1.516 -2.953 1.00 0.00 C ATOM 1095 C GLY A 577 -11.733 2.078 -3.472 1.00 0.00 C ATOM 1096 O GLY A 577 -11.695 2.887 -4.408 1.00 0.00 O ATOM 0 H GLY A 577 -14.019 0.271 -4.317 1.00 0.00 H new ATOM 0 HA2 GLY A 577 -13.859 2.208 -3.162 1.00 0.00 H new ATOM 0 HA3 GLY A 577 -12.999 1.394 -1.871 1.00 0.00 H new ATOM 1100 N VAL A 578 -10.653 1.557 -2.905 1.00 0.00 N ATOM 1101 CA VAL A 578 -9.281 1.642 -3.308 1.00 0.00 C ATOM 1102 C VAL A 578 -8.859 0.494 -4.218 1.00 0.00 C ATOM 1103 O VAL A 578 -9.605 -0.459 -4.417 1.00 0.00 O ATOM 1104 CB VAL A 578 -8.435 2.102 -2.113 1.00 0.00 C ATOM 1105 CG1 VAL A 578 -8.965 1.960 -0.670 1.00 0.00 C ATOM 1106 CG2 VAL A 578 -6.920 1.866 -2.257 1.00 0.00 C ATOM 0 H VAL A 578 -10.744 1.003 -2.053 1.00 0.00 H new ATOM 0 HA VAL A 578 -9.080 2.437 -4.026 1.00 0.00 H new ATOM 0 HB VAL A 578 -8.610 3.171 -2.236 1.00 0.00 H new ATOM 0 HG11 VAL A 578 -8.221 2.341 0.030 1.00 0.00 H new ATOM 0 HG12 VAL A 578 -9.888 2.529 -0.564 1.00 0.00 H new ATOM 0 HG13 VAL A 578 -9.160 0.909 -0.456 1.00 0.00 H new ATOM 0 HG21 VAL A 578 -6.409 2.224 -1.363 1.00 0.00 H new ATOM 0 HG22 VAL A 578 -6.728 0.800 -2.382 1.00 0.00 H new ATOM 0 HG23 VAL A 578 -6.549 2.407 -3.128 1.00 0.00 H new ATOM 1116 N ARG A 579 -7.747 0.683 -4.903 1.00 0.00 N ATOM 1117 CA ARG A 579 -7.272 -0.217 -5.960 1.00 0.00 C ATOM 1118 C ARG A 579 -6.092 -0.941 -5.345 1.00 0.00 C ATOM 1119 O ARG A 579 -4.998 -0.398 -5.236 1.00 0.00 O ATOM 1120 CB ARG A 579 -6.914 0.579 -7.228 1.00 0.00 C ATOM 1121 CG ARG A 579 -6.873 -0.342 -8.462 1.00 0.00 C ATOM 1122 CD ARG A 579 -6.507 0.457 -9.716 1.00 0.00 C ATOM 1123 NE ARG A 579 -6.527 -0.364 -10.942 1.00 0.00 N ATOM 1124 CZ ARG A 579 -7.577 -0.568 -11.750 1.00 0.00 C ATOM 1125 NH1 ARG A 579 -8.777 -0.083 -11.465 1.00 0.00 N ATOM 1126 NH2 ARG A 579 -7.442 -1.270 -12.867 1.00 0.00 N ATOM 0 H ARG A 579 -7.130 1.479 -4.744 1.00 0.00 H new ATOM 0 HA ARG A 579 -8.025 -0.932 -6.291 1.00 0.00 H new ATOM 0 HB2 ARG A 579 -7.647 1.371 -7.384 1.00 0.00 H new ATOM 0 HB3 ARG A 579 -5.946 1.062 -7.098 1.00 0.00 H new ATOM 0 HG2 ARG A 579 -6.145 -1.138 -8.305 1.00 0.00 H new ATOM 0 HG3 ARG A 579 -7.843 -0.820 -8.599 1.00 0.00 H new ATOM 0 HD2 ARG A 579 -7.204 1.287 -9.829 1.00 0.00 H new ATOM 0 HD3 ARG A 579 -5.514 0.889 -9.589 1.00 0.00 H new ATOM 0 HE ARG A 579 -5.653 -0.823 -11.201 1.00 0.00 H new ATOM 0 HH11 ARG A 579 -8.918 0.460 -10.613 1.00 0.00 H new ATOM 0 HH12 ARG A 579 -9.559 -0.253 -12.097 1.00 0.00 H new ATOM 0 HH21 ARG A 579 -6.533 -1.660 -13.118 1.00 0.00 H new ATOM 0 HH22 ARG A 579 -8.247 -1.420 -13.476 1.00 0.00 H new ATOM 1140 N PHE A 580 -6.336 -2.120 -4.817 1.00 0.00 N ATOM 1141 CA PHE A 580 -5.323 -2.898 -4.141 1.00 0.00 C ATOM 1142 C PHE A 580 -4.633 -3.853 -5.100 1.00 0.00 C ATOM 1143 O PHE A 580 -5.089 -4.084 -6.222 1.00 0.00 O ATOM 1144 CB PHE A 580 -5.956 -3.625 -2.955 1.00 0.00 C ATOM 1145 CG PHE A 580 -6.421 -2.668 -1.892 1.00 0.00 C ATOM 1146 CD1 PHE A 580 -7.612 -1.946 -2.075 1.00 0.00 C ATOM 1147 CD2 PHE A 580 -5.583 -2.379 -0.808 1.00 0.00 C ATOM 1148 CE1 PHE A 580 -7.927 -0.899 -1.205 1.00 0.00 C ATOM 1149 CE2 PHE A 580 -5.969 -1.420 0.141 1.00 0.00 C ATOM 1150 CZ PHE A 580 -7.145 -0.680 -0.060 1.00 0.00 C ATOM 0 H PHE A 580 -7.251 -2.569 -4.845 1.00 0.00 H new ATOM 0 HA PHE A 580 -4.547 -2.233 -3.762 1.00 0.00 H new ATOM 0 HB2 PHE A 580 -6.801 -4.219 -3.303 1.00 0.00 H new ATOM 0 HB3 PHE A 580 -5.233 -4.319 -2.527 1.00 0.00 H new ATOM 0 HD1 PHE A 580 -8.281 -2.199 -2.884 1.00 0.00 H new ATOM 0 HD2 PHE A 580 -4.640 -2.894 -0.702 1.00 0.00 H new ATOM 0 HE1 PHE A 580 -8.771 -0.259 -1.413 1.00 0.00 H new ATOM 0 HE2 PHE A 580 -5.365 -1.252 1.021 1.00 0.00 H new ATOM 0 HZ PHE A 580 -7.448 0.059 0.667 1.00 0.00 H new ATOM 1160 N PHE A 581 -3.554 -4.465 -4.617 1.00 0.00 N ATOM 1161 CA PHE A 581 -2.910 -5.599 -5.251 1.00 0.00 C ATOM 1162 C PHE A 581 -2.546 -6.589 -4.151 1.00 0.00 C ATOM 1163 O PHE A 581 -1.639 -6.332 -3.355 1.00 0.00 O ATOM 1164 CB PHE A 581 -1.699 -5.143 -6.077 1.00 0.00 C ATOM 1165 CG PHE A 581 -0.885 -6.296 -6.622 1.00 0.00 C ATOM 1166 CD1 PHE A 581 -1.317 -6.952 -7.784 1.00 0.00 C ATOM 1167 CD2 PHE A 581 0.278 -6.738 -5.962 1.00 0.00 C ATOM 1168 CE1 PHE A 581 -0.594 -8.045 -8.282 1.00 0.00 C ATOM 1169 CE2 PHE A 581 0.996 -7.843 -6.451 1.00 0.00 C ATOM 1170 CZ PHE A 581 0.546 -8.516 -7.599 1.00 0.00 C ATOM 0 H PHE A 581 -3.097 -4.174 -3.753 1.00 0.00 H new ATOM 0 HA PHE A 581 -3.577 -6.090 -5.960 1.00 0.00 H new ATOM 0 HB2 PHE A 581 -2.044 -4.525 -6.906 1.00 0.00 H new ATOM 0 HB3 PHE A 581 -1.059 -4.515 -5.457 1.00 0.00 H new ATOM 0 HD1 PHE A 581 -2.207 -6.615 -8.295 1.00 0.00 H new ATOM 0 HD2 PHE A 581 0.620 -6.225 -5.075 1.00 0.00 H new ATOM 0 HE1 PHE A 581 -0.912 -8.529 -9.194 1.00 0.00 H new ATOM 0 HE2 PHE A 581 1.891 -8.174 -5.945 1.00 0.00 H new ATOM 0 HZ PHE A 581 1.071 -9.390 -7.957 1.00 0.00 H new ATOM 1180 N PHE A 582 -3.320 -7.663 -4.055 1.00 0.00 N ATOM 1181 CA PHE A 582 -3.107 -8.772 -3.143 1.00 0.00 C ATOM 1182 C PHE A 582 -2.405 -9.897 -3.905 1.00 0.00 C ATOM 1183 O PHE A 582 -2.539 -10.022 -5.119 1.00 0.00 O ATOM 1184 CB PHE A 582 -4.461 -9.223 -2.565 1.00 0.00 C ATOM 1185 CG PHE A 582 -5.264 -8.192 -1.774 1.00 0.00 C ATOM 1186 CD1 PHE A 582 -4.700 -6.967 -1.363 1.00 0.00 C ATOM 1187 CD2 PHE A 582 -6.612 -8.458 -1.460 1.00 0.00 C ATOM 1188 CE1 PHE A 582 -5.469 -6.036 -0.642 1.00 0.00 C ATOM 1189 CE2 PHE A 582 -7.390 -7.515 -0.763 1.00 0.00 C ATOM 1190 CZ PHE A 582 -6.817 -6.296 -0.361 1.00 0.00 C ATOM 0 H PHE A 582 -4.148 -7.787 -4.637 1.00 0.00 H new ATOM 0 HA PHE A 582 -2.475 -8.477 -2.306 1.00 0.00 H new ATOM 0 HB2 PHE A 582 -5.081 -9.572 -3.391 1.00 0.00 H new ATOM 0 HB3 PHE A 582 -4.282 -10.081 -1.917 1.00 0.00 H new ATOM 0 HD1 PHE A 582 -3.671 -6.742 -1.603 1.00 0.00 H new ATOM 0 HD2 PHE A 582 -7.053 -9.397 -1.758 1.00 0.00 H new ATOM 0 HE1 PHE A 582 -5.018 -5.115 -0.303 1.00 0.00 H new ATOM 0 HE2 PHE A 582 -8.425 -7.727 -0.538 1.00 0.00 H new ATOM 0 HZ PHE A 582 -7.413 -5.563 0.162 1.00 0.00 H new ATOM 1200 N TYR A 583 -1.659 -10.717 -3.176 1.00 0.00 N ATOM 1201 CA TYR A 583 -0.781 -11.782 -3.668 1.00 0.00 C ATOM 1202 C TYR A 583 -0.641 -12.798 -2.526 1.00 0.00 C ATOM 1203 O TYR A 583 -1.319 -12.647 -1.508 1.00 0.00 O ATOM 1204 CB TYR A 583 0.566 -11.167 -4.098 1.00 0.00 C ATOM 1205 CG TYR A 583 1.197 -10.220 -3.087 1.00 0.00 C ATOM 1206 CD1 TYR A 583 0.851 -8.855 -3.079 1.00 0.00 C ATOM 1207 CD2 TYR A 583 2.128 -10.701 -2.151 1.00 0.00 C ATOM 1208 CE1 TYR A 583 1.426 -7.977 -2.145 1.00 0.00 C ATOM 1209 CE2 TYR A 583 2.688 -9.838 -1.195 1.00 0.00 C ATOM 1210 CZ TYR A 583 2.347 -8.469 -1.193 1.00 0.00 C ATOM 1211 OH TYR A 583 2.905 -7.641 -0.271 1.00 0.00 O ATOM 0 H TYR A 583 -1.647 -10.655 -2.158 1.00 0.00 H new ATOM 0 HA TYR A 583 -1.181 -12.290 -4.545 1.00 0.00 H new ATOM 0 HB2 TYR A 583 1.268 -11.976 -4.302 1.00 0.00 H new ATOM 0 HB3 TYR A 583 0.419 -10.628 -5.034 1.00 0.00 H new ATOM 0 HD1 TYR A 583 0.137 -8.480 -3.797 1.00 0.00 H new ATOM 0 HD2 TYR A 583 2.415 -11.742 -2.167 1.00 0.00 H new ATOM 0 HE1 TYR A 583 1.165 -6.929 -2.155 1.00 0.00 H new ATOM 0 HE2 TYR A 583 3.380 -10.223 -0.461 1.00 0.00 H new ATOM 0 HH TYR A 583 2.201 -7.121 0.170 1.00 0.00 H new ATOM 1221 N THR A 584 0.244 -13.789 -2.604 1.00 0.00 N ATOM 1222 CA THR A 584 0.494 -14.708 -1.486 1.00 0.00 C ATOM 1223 C THR A 584 1.757 -14.312 -0.726 1.00 0.00 C ATOM 1224 O THR A 584 2.730 -13.931 -1.361 1.00 0.00 O ATOM 1225 CB THR A 584 0.528 -16.147 -2.020 1.00 0.00 C ATOM 1226 OG1 THR A 584 1.148 -16.265 -3.296 1.00 0.00 O ATOM 1227 CG2 THR A 584 -0.908 -16.640 -2.188 1.00 0.00 C ATOM 0 H THR A 584 0.805 -13.980 -3.434 1.00 0.00 H new ATOM 0 HA THR A 584 -0.315 -14.646 -0.758 1.00 0.00 H new ATOM 0 HB THR A 584 1.104 -16.728 -1.300 1.00 0.00 H new ATOM 0 HG1 THR A 584 1.139 -17.203 -3.578 1.00 0.00 H new ATOM 0 HG21 THR A 584 -0.900 -17.662 -2.567 1.00 0.00 H new ATOM 0 HG22 THR A 584 -1.417 -16.615 -1.224 1.00 0.00 H new ATOM 0 HG23 THR A 584 -1.434 -15.996 -2.893 1.00 0.00 H new ATOM 1235 N SER A 585 1.791 -14.416 0.608 1.00 0.00 N ATOM 1236 CA SER A 585 2.955 -14.046 1.416 1.00 0.00 C ATOM 1237 C SER A 585 4.249 -14.680 0.910 1.00 0.00 C ATOM 1238 O SER A 585 5.302 -14.045 0.938 1.00 0.00 O ATOM 1239 CB SER A 585 2.720 -14.430 2.884 1.00 0.00 C ATOM 1240 OG SER A 585 2.583 -15.833 3.073 1.00 0.00 O ATOM 0 H SER A 585 1.005 -14.762 1.159 1.00 0.00 H new ATOM 0 HA SER A 585 3.073 -12.966 1.330 1.00 0.00 H new ATOM 0 HB2 SER A 585 3.552 -14.067 3.487 1.00 0.00 H new ATOM 0 HB3 SER A 585 1.822 -13.930 3.246 1.00 0.00 H new ATOM 0 HG SER A 585 2.437 -16.022 4.023 1.00 0.00 H new ATOM 1246 N LYS A 586 4.169 -15.942 0.482 1.00 0.00 N ATOM 1247 CA LYS A 586 5.284 -16.737 -0.014 1.00 0.00 C ATOM 1248 C LYS A 586 5.834 -16.190 -1.336 1.00 0.00 C ATOM 1249 O LYS A 586 6.966 -16.509 -1.682 1.00 0.00 O ATOM 1250 CB LYS A 586 4.791 -18.189 -0.112 1.00 0.00 C ATOM 1251 CG LYS A 586 5.898 -19.255 -0.123 1.00 0.00 C ATOM 1252 CD LYS A 586 5.254 -20.622 0.162 1.00 0.00 C ATOM 1253 CE LYS A 586 6.170 -21.836 -0.015 1.00 0.00 C ATOM 1254 NZ LYS A 586 7.279 -21.848 0.956 1.00 0.00 N ATOM 0 H LYS A 586 3.287 -16.455 0.473 1.00 0.00 H new ATOM 0 HA LYS A 586 6.132 -16.688 0.669 1.00 0.00 H new ATOM 0 HB2 LYS A 586 4.125 -18.388 0.728 1.00 0.00 H new ATOM 0 HB3 LYS A 586 4.198 -18.294 -1.020 1.00 0.00 H new ATOM 0 HG2 LYS A 586 6.404 -19.267 -1.088 1.00 0.00 H new ATOM 0 HG3 LYS A 586 6.653 -19.026 0.629 1.00 0.00 H new ATOM 0 HD2 LYS A 586 4.878 -20.620 1.185 1.00 0.00 H new ATOM 0 HD3 LYS A 586 4.392 -20.741 -0.495 1.00 0.00 H new ATOM 0 HE2 LYS A 586 5.585 -22.749 0.095 1.00 0.00 H new ATOM 0 HE3 LYS A 586 6.576 -21.837 -1.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 586 7.871 -22.688 0.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 586 7.855 -20.991 0.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 586 6.894 -21.874 1.922 1.00 0.00 H new ATOM 1268 N GLU A 587 5.081 -15.343 -2.045 1.00 0.00 N ATOM 1269 CA GLU A 587 5.598 -14.593 -3.181 1.00 0.00 C ATOM 1270 C GLU A 587 6.694 -13.640 -2.667 1.00 0.00 C ATOM 1271 O GLU A 587 6.459 -12.888 -1.710 1.00 0.00 O ATOM 1272 CB GLU A 587 4.444 -13.852 -3.876 1.00 0.00 C ATOM 1273 CG GLU A 587 4.840 -13.272 -5.241 1.00 0.00 C ATOM 1274 CD GLU A 587 3.643 -12.902 -6.143 1.00 0.00 C ATOM 1275 OE1 GLU A 587 2.562 -13.544 -6.054 1.00 0.00 O ATOM 1276 OE2 GLU A 587 3.806 -12.002 -6.995 1.00 0.00 O ATOM 0 H GLU A 587 4.098 -15.162 -1.843 1.00 0.00 H new ATOM 0 HA GLU A 587 6.042 -15.253 -3.927 1.00 0.00 H new ATOM 0 HB2 GLU A 587 3.606 -14.537 -4.008 1.00 0.00 H new ATOM 0 HB3 GLU A 587 4.097 -13.045 -3.231 1.00 0.00 H new ATOM 0 HG2 GLU A 587 5.449 -12.382 -5.082 1.00 0.00 H new ATOM 0 HG3 GLU A 587 5.464 -13.997 -5.764 1.00 0.00 H new ATOM 1283 N PRO A 588 7.908 -13.645 -3.237 1.00 0.00 N ATOM 1284 CA PRO A 588 8.988 -12.795 -2.769 1.00 0.00 C ATOM 1285 C PRO A 588 8.693 -11.346 -3.140 1.00 0.00 C ATOM 1286 O PRO A 588 7.886 -11.035 -4.018 1.00 0.00 O ATOM 1287 CB PRO A 588 10.257 -13.330 -3.439 1.00 0.00 C ATOM 1288 CG PRO A 588 9.756 -13.984 -4.722 1.00 0.00 C ATOM 1289 CD PRO A 588 8.310 -14.387 -4.415 1.00 0.00 C ATOM 0 HA PRO A 588 9.105 -12.812 -1.685 1.00 0.00 H new ATOM 0 HB2 PRO A 588 10.964 -12.528 -3.651 1.00 0.00 H new ATOM 0 HB3 PRO A 588 10.772 -14.048 -2.801 1.00 0.00 H new ATOM 0 HG2 PRO A 588 9.804 -13.293 -5.564 1.00 0.00 H new ATOM 0 HG3 PRO A 588 10.361 -14.851 -4.987 1.00 0.00 H new ATOM 0 HD2 PRO A 588 7.658 -14.157 -5.258 1.00 0.00 H new ATOM 0 HD3 PRO A 588 8.237 -15.460 -4.239 1.00 0.00 H new ATOM 1297 N VAL A 589 9.406 -10.446 -2.482 1.00 0.00 N ATOM 1298 CA VAL A 589 9.290 -9.012 -2.699 1.00 0.00 C ATOM 1299 C VAL A 589 9.789 -8.715 -4.118 1.00 0.00 C ATOM 1300 O VAL A 589 9.189 -7.919 -4.839 1.00 0.00 O ATOM 1301 CB VAL A 589 10.118 -8.276 -1.620 1.00 0.00 C ATOM 1302 CG1 VAL A 589 9.893 -6.764 -1.633 1.00 0.00 C ATOM 1303 CG2 VAL A 589 9.827 -8.772 -0.194 1.00 0.00 C ATOM 0 H VAL A 589 10.093 -10.695 -1.770 1.00 0.00 H new ATOM 0 HA VAL A 589 8.260 -8.666 -2.613 1.00 0.00 H new ATOM 0 HB VAL A 589 11.152 -8.502 -1.882 1.00 0.00 H new ATOM 0 HG11 VAL A 589 10.499 -6.299 -0.855 1.00 0.00 H new ATOM 0 HG12 VAL A 589 10.179 -6.362 -2.605 1.00 0.00 H new ATOM 0 HG13 VAL A 589 8.840 -6.551 -1.448 1.00 0.00 H new ATOM 0 HG21 VAL A 589 10.439 -8.216 0.516 1.00 0.00 H new ATOM 0 HG22 VAL A 589 8.773 -8.618 0.037 1.00 0.00 H new ATOM 0 HG23 VAL A 589 10.062 -9.834 -0.123 1.00 0.00 H new ATOM 1313 N ALA A 590 10.821 -9.449 -4.555 1.00 0.00 N ATOM 1314 CA ALA A 590 11.323 -9.421 -5.914 1.00 0.00 C ATOM 1315 C ALA A 590 10.195 -9.649 -6.926 1.00 0.00 C ATOM 1316 O ALA A 590 10.113 -8.903 -7.903 1.00 0.00 O ATOM 1317 CB ALA A 590 12.425 -10.476 -6.064 1.00 0.00 C ATOM 0 H ALA A 590 11.335 -10.090 -3.950 1.00 0.00 H new ATOM 0 HA ALA A 590 11.741 -8.436 -6.121 1.00 0.00 H new ATOM 0 HB1 ALA A 590 12.807 -10.460 -7.085 1.00 0.00 H new ATOM 0 HB2 ALA A 590 13.236 -10.256 -5.369 1.00 0.00 H new ATOM 0 HB3 ALA A 590 12.017 -11.462 -5.845 1.00 0.00 H new ATOM 1323 N SER A 591 9.318 -10.637 -6.708 1.00 0.00 N ATOM 1324 CA SER A 591 8.266 -10.961 -7.654 1.00 0.00 C ATOM 1325 C SER A 591 7.227 -9.842 -7.726 1.00 0.00 C ATOM 1326 O SER A 591 6.858 -9.410 -8.824 1.00 0.00 O ATOM 1327 CB SER A 591 7.628 -12.268 -7.205 1.00 0.00 C ATOM 1328 OG SER A 591 8.397 -13.377 -7.625 1.00 0.00 O ATOM 0 H SER A 591 9.325 -11.225 -5.875 1.00 0.00 H new ATOM 0 HA SER A 591 8.682 -11.069 -8.656 1.00 0.00 H new ATOM 0 HB2 SER A 591 7.534 -12.277 -6.119 1.00 0.00 H new ATOM 0 HB3 SER A 591 6.620 -12.344 -7.613 1.00 0.00 H new ATOM 0 HG SER A 591 7.894 -14.203 -7.466 1.00 0.00 H new ATOM 1334 N ILE A 592 6.771 -9.340 -6.575 1.00 0.00 N ATOM 1335 CA ILE A 592 5.713 -8.345 -6.587 1.00 0.00 C ATOM 1336 C ILE A 592 6.233 -7.020 -7.164 1.00 0.00 C ATOM 1337 O ILE A 592 5.524 -6.393 -7.950 1.00 0.00 O ATOM 1338 CB ILE A 592 5.020 -8.228 -5.215 1.00 0.00 C ATOM 1339 CG1 ILE A 592 5.821 -7.487 -4.135 1.00 0.00 C ATOM 1340 CG2 ILE A 592 4.629 -9.593 -4.640 1.00 0.00 C ATOM 1341 CD1 ILE A 592 5.180 -6.126 -3.865 1.00 0.00 C ATOM 0 H ILE A 592 7.111 -9.602 -5.650 1.00 0.00 H new ATOM 0 HA ILE A 592 4.919 -8.671 -7.259 1.00 0.00 H new ATOM 0 HB ILE A 592 4.138 -7.631 -5.448 1.00 0.00 H new ATOM 0 HG12 ILE A 592 5.847 -8.076 -3.218 1.00 0.00 H new ATOM 0 HG13 ILE A 592 6.853 -7.356 -4.459 1.00 0.00 H new ATOM 0 HG21 ILE A 592 4.145 -9.455 -3.673 1.00 0.00 H new ATOM 0 HG22 ILE A 592 3.941 -10.092 -5.323 1.00 0.00 H new ATOM 0 HG23 ILE A 592 5.523 -10.204 -4.514 1.00 0.00 H new ATOM 0 HD11 ILE A 592 5.750 -5.601 -3.098 1.00 0.00 H new ATOM 0 HD12 ILE A 592 5.177 -5.537 -4.782 1.00 0.00 H new ATOM 0 HD13 ILE A 592 4.155 -6.268 -3.522 1.00 0.00 H new ATOM 1353 N ILE A 593 7.479 -6.621 -6.863 1.00 0.00 N ATOM 1354 CA ILE A 593 8.092 -5.445 -7.475 1.00 0.00 C ATOM 1355 C ILE A 593 8.179 -5.671 -8.978 1.00 0.00 C ATOM 1356 O ILE A 593 7.747 -4.792 -9.715 1.00 0.00 O ATOM 1357 CB ILE A 593 9.467 -5.101 -6.849 1.00 0.00 C ATOM 1358 CG1 ILE A 593 9.235 -4.535 -5.430 1.00 0.00 C ATOM 1359 CG2 ILE A 593 10.260 -4.101 -7.727 1.00 0.00 C ATOM 1360 CD1 ILE A 593 10.539 -4.255 -4.679 1.00 0.00 C ATOM 0 H ILE A 593 8.080 -7.103 -6.195 1.00 0.00 H new ATOM 0 HA ILE A 593 7.467 -4.574 -7.279 1.00 0.00 H new ATOM 0 HB ILE A 593 10.070 -6.007 -6.789 1.00 0.00 H new ATOM 0 HG12 ILE A 593 8.658 -3.613 -5.502 1.00 0.00 H new ATOM 0 HG13 ILE A 593 8.636 -5.242 -4.856 1.00 0.00 H new ATOM 0 HG21 ILE A 593 11.219 -3.884 -7.256 1.00 0.00 H new ATOM 0 HG22 ILE A 593 10.430 -4.537 -8.712 1.00 0.00 H new ATOM 0 HG23 ILE A 593 9.690 -3.178 -7.832 1.00 0.00 H new ATOM 0 HD11 ILE A 593 10.311 -3.859 -3.689 1.00 0.00 H new ATOM 0 HD12 ILE A 593 11.107 -5.180 -4.578 1.00 0.00 H new ATOM 0 HD13 ILE A 593 11.129 -3.526 -5.234 1.00 0.00 H new ATOM 1372 N THR A 594 8.682 -6.822 -9.446 1.00 0.00 N ATOM 1373 CA THR A 594 8.719 -7.180 -10.865 1.00 0.00 C ATOM 1374 C THR A 594 7.398 -6.817 -11.550 1.00 0.00 C ATOM 1375 O THR A 594 7.384 -6.148 -12.584 1.00 0.00 O ATOM 1376 CB THR A 594 9.132 -8.660 -11.023 1.00 0.00 C ATOM 1377 OG1 THR A 594 10.544 -8.759 -11.097 1.00 0.00 O ATOM 1378 CG2 THR A 594 8.548 -9.381 -12.240 1.00 0.00 C ATOM 0 H THR A 594 9.079 -7.538 -8.838 1.00 0.00 H new ATOM 0 HA THR A 594 9.481 -6.595 -11.380 1.00 0.00 H new ATOM 0 HB THR A 594 8.721 -9.153 -10.142 1.00 0.00 H new ATOM 0 HG1 THR A 594 10.801 -9.699 -11.195 1.00 0.00 H new ATOM 0 HG21 THR A 594 8.901 -10.412 -12.256 1.00 0.00 H new ATOM 0 HG22 THR A 594 7.460 -9.371 -12.181 1.00 0.00 H new ATOM 0 HG23 THR A 594 8.867 -8.874 -13.151 1.00 0.00 H new ATOM 1386 N LYS A 595 6.292 -7.214 -10.931 1.00 0.00 N ATOM 1387 CA LYS A 595 4.962 -7.024 -11.486 1.00 0.00 C ATOM 1388 C LYS A 595 4.572 -5.546 -11.457 1.00 0.00 C ATOM 1389 O LYS A 595 4.129 -5.027 -12.475 1.00 0.00 O ATOM 1390 CB LYS A 595 3.957 -7.940 -10.771 1.00 0.00 C ATOM 1391 CG LYS A 595 2.791 -8.259 -11.717 1.00 0.00 C ATOM 1392 CD LYS A 595 1.795 -9.253 -11.112 1.00 0.00 C ATOM 1393 CE LYS A 595 0.748 -9.605 -12.172 1.00 0.00 C ATOM 1394 NZ LYS A 595 -0.387 -10.381 -11.627 1.00 0.00 N ATOM 0 H LYS A 595 6.296 -7.680 -10.024 1.00 0.00 H new ATOM 0 HA LYS A 595 4.955 -7.315 -12.536 1.00 0.00 H new ATOM 0 HB2 LYS A 595 4.448 -8.862 -10.458 1.00 0.00 H new ATOM 0 HB3 LYS A 595 3.585 -7.455 -9.869 1.00 0.00 H new ATOM 0 HG2 LYS A 595 2.269 -7.336 -11.969 1.00 0.00 H new ATOM 0 HG3 LYS A 595 3.185 -8.666 -12.648 1.00 0.00 H new ATOM 0 HD2 LYS A 595 2.313 -10.152 -10.780 1.00 0.00 H new ATOM 0 HD3 LYS A 595 1.314 -8.820 -10.235 1.00 0.00 H new ATOM 0 HE2 LYS A 595 0.371 -8.686 -12.621 1.00 0.00 H new ATOM 0 HE3 LYS A 595 1.223 -10.177 -12.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 595 -1.063 -10.590 -12.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 595 -0.036 -11.272 -11.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 595 -0.862 -9.827 -10.886 1.00 0.00 H new ATOM 1408 N LEU A 596 4.796 -4.838 -10.346 1.00 0.00 N ATOM 1409 CA LEU A 596 4.557 -3.394 -10.231 1.00 0.00 C ATOM 1410 C LEU A 596 5.321 -2.603 -11.298 1.00 0.00 C ATOM 1411 O LEU A 596 4.794 -1.631 -11.838 1.00 0.00 O ATOM 1412 CB LEU A 596 4.984 -2.895 -8.841 1.00 0.00 C ATOM 1413 CG LEU A 596 3.972 -3.008 -7.683 1.00 0.00 C ATOM 1414 CD1 LEU A 596 2.945 -4.144 -7.755 1.00 0.00 C ATOM 1415 CD2 LEU A 596 4.746 -3.120 -6.369 1.00 0.00 C ATOM 0 H LEU A 596 5.154 -5.257 -9.488 1.00 0.00 H new ATOM 0 HA LEU A 596 3.489 -3.232 -10.378 1.00 0.00 H new ATOM 0 HB2 LEU A 596 5.882 -3.441 -8.553 1.00 0.00 H new ATOM 0 HB3 LEU A 596 5.266 -1.846 -8.936 1.00 0.00 H new ATOM 0 HG LEU A 596 3.370 -2.102 -7.758 1.00 0.00 H new ATOM 0 HD11 LEU A 596 2.298 -4.105 -6.879 1.00 0.00 H new ATOM 0 HD12 LEU A 596 2.342 -4.033 -8.657 1.00 0.00 H new ATOM 0 HD13 LEU A 596 3.464 -5.102 -7.781 1.00 0.00 H new ATOM 0 HD21 LEU A 596 4.044 -3.201 -5.539 1.00 0.00 H new ATOM 0 HD22 LEU A 596 5.381 -4.006 -6.395 1.00 0.00 H new ATOM 0 HD23 LEU A 596 5.366 -2.233 -6.235 1.00 0.00 H new ATOM 1427 N ASN A 597 6.552 -2.998 -11.627 1.00 0.00 N ATOM 1428 CA ASN A 597 7.339 -2.318 -12.664 1.00 0.00 C ATOM 1429 C ASN A 597 6.659 -2.456 -14.022 1.00 0.00 C ATOM 1430 O ASN A 597 6.720 -1.553 -14.850 1.00 0.00 O ATOM 1431 CB ASN A 597 8.750 -2.899 -12.818 1.00 0.00 C ATOM 1432 CG ASN A 597 9.513 -3.042 -11.518 1.00 0.00 C ATOM 1433 OD1 ASN A 597 9.616 -2.117 -10.722 1.00 0.00 O ATOM 1434 ND2 ASN A 597 10.043 -4.227 -11.280 1.00 0.00 N ATOM 0 H ASN A 597 7.029 -3.787 -11.191 1.00 0.00 H new ATOM 0 HA ASN A 597 7.408 -1.278 -12.346 1.00 0.00 H new ATOM 0 HB2 ASN A 597 8.677 -3.878 -13.292 1.00 0.00 H new ATOM 0 HB3 ASN A 597 9.321 -2.260 -13.492 1.00 0.00 H new ATOM 0 HD21 ASN A 597 10.555 -4.392 -10.414 1.00 0.00 H new ATOM 0 HD22 ASN A 597 9.940 -4.978 -11.963 1.00 0.00 H new ATOM 1441 N SER A 598 6.034 -3.609 -14.244 1.00 0.00 N ATOM 1442 CA SER A 598 5.276 -3.952 -15.428 1.00 0.00 C ATOM 1443 C SER A 598 3.970 -3.156 -15.519 1.00 0.00 C ATOM 1444 O SER A 598 3.478 -2.967 -16.629 1.00 0.00 O ATOM 1445 CB SER A 598 4.978 -5.457 -15.351 1.00 0.00 C ATOM 1446 OG SER A 598 5.445 -6.153 -16.493 1.00 0.00 O ATOM 0 H SER A 598 6.048 -4.366 -13.560 1.00 0.00 H new ATOM 0 HA SER A 598 5.852 -3.706 -16.320 1.00 0.00 H new ATOM 0 HB2 SER A 598 5.444 -5.873 -14.458 1.00 0.00 H new ATOM 0 HB3 SER A 598 3.903 -5.608 -15.249 1.00 0.00 H new ATOM 0 HG SER A 598 5.237 -7.106 -16.403 1.00 0.00 H new ATOM 1452 N LEU A 599 3.408 -2.700 -14.397 1.00 0.00 N ATOM 1453 CA LEU A 599 2.193 -1.912 -14.342 1.00 0.00 C ATOM 1454 C LEU A 599 2.603 -0.477 -14.621 1.00 0.00 C ATOM 1455 O LEU A 599 2.027 0.138 -15.506 1.00 0.00 O ATOM 1456 CB LEU A 599 1.500 -2.052 -12.972 1.00 0.00 C ATOM 1457 CG LEU A 599 0.992 -3.475 -12.657 1.00 0.00 C ATOM 1458 CD1 LEU A 599 0.532 -3.567 -11.198 1.00 0.00 C ATOM 1459 CD2 LEU A 599 -0.160 -3.892 -13.573 1.00 0.00 C ATOM 0 H LEU A 599 3.806 -2.880 -13.475 1.00 0.00 H new ATOM 0 HA LEU A 599 1.466 -2.255 -15.078 1.00 0.00 H new ATOM 0 HB2 LEU A 599 2.198 -1.748 -12.192 1.00 0.00 H new ATOM 0 HB3 LEU A 599 0.658 -1.362 -12.932 1.00 0.00 H new ATOM 0 HG LEU A 599 1.827 -4.154 -12.829 1.00 0.00 H new ATOM 0 HD11 LEU A 599 0.177 -4.577 -10.992 1.00 0.00 H new ATOM 0 HD12 LEU A 599 1.367 -3.334 -10.538 1.00 0.00 H new ATOM 0 HD13 LEU A 599 -0.276 -2.856 -11.026 1.00 0.00 H new ATOM 0 HD21 LEU A 599 -0.484 -4.900 -13.314 1.00 0.00 H new ATOM 0 HD22 LEU A 599 -0.993 -3.200 -13.448 1.00 0.00 H new ATOM 0 HD23 LEU A 599 0.175 -3.874 -14.610 1.00 0.00 H new ATOM 1471 N ASN A 600 3.664 0.007 -13.953 1.00 0.00 N ATOM 1472 CA ASN A 600 4.270 1.351 -14.039 1.00 0.00 C ATOM 1473 C ASN A 600 3.526 2.349 -13.163 1.00 0.00 C ATOM 1474 O ASN A 600 3.900 3.518 -13.098 1.00 0.00 O ATOM 1475 CB ASN A 600 4.434 1.902 -15.475 1.00 0.00 C ATOM 1476 CG ASN A 600 5.260 0.994 -16.365 1.00 0.00 C ATOM 1477 OD1 ASN A 600 4.663 -0.080 -16.849 1.00 0.00 O flip ATOM 1478 ND2 ASN A 600 6.440 1.245 -16.618 1.00 0.00 N flip ATOM 0 H ASN A 600 4.163 -0.579 -13.283 1.00 0.00 H new ATOM 0 HA ASN A 600 5.284 1.221 -13.662 1.00 0.00 H new ATOM 0 HB2 ASN A 600 3.449 2.040 -15.920 1.00 0.00 H new ATOM 0 HB3 ASN A 600 4.904 2.884 -15.430 1.00 0.00 H new ATOM 0 HD21 ASN A 600 6.878 2.081 -16.232 1.00 0.00 H new ATOM 0 HD22 ASN A 600 6.979 0.616 -17.214 1.00 0.00 H new ATOM 1485 N GLU A 601 2.484 1.894 -12.477 1.00 0.00 N ATOM 1486 CA GLU A 601 1.466 2.772 -11.948 1.00 0.00 C ATOM 1487 C GLU A 601 1.860 3.398 -10.611 1.00 0.00 C ATOM 1488 O GLU A 601 2.654 2.791 -9.886 1.00 0.00 O ATOM 1489 CB GLU A 601 0.151 2.011 -11.870 1.00 0.00 C ATOM 1490 CG GLU A 601 -0.305 1.610 -13.275 1.00 0.00 C ATOM 1491 CD GLU A 601 -0.641 2.792 -14.207 1.00 0.00 C ATOM 1492 OE1 GLU A 601 0.271 3.491 -14.701 1.00 0.00 O ATOM 1493 OE2 GLU A 601 -1.861 3.042 -14.397 1.00 0.00 O ATOM 0 H GLU A 601 2.328 0.906 -12.276 1.00 0.00 H new ATOM 0 HA GLU A 601 1.347 3.617 -12.626 1.00 0.00 H new ATOM 0 HB2 GLU A 601 0.272 1.122 -11.250 1.00 0.00 H new ATOM 0 HB3 GLU A 601 -0.610 2.630 -11.395 1.00 0.00 H new ATOM 0 HG2 GLU A 601 0.478 1.011 -13.739 1.00 0.00 H new ATOM 0 HG3 GLU A 601 -1.185 0.972 -13.188 1.00 0.00 H new ATOM 1500 N PRO A 602 1.315 4.583 -10.278 1.00 0.00 N ATOM 1501 CA PRO A 602 1.706 5.345 -9.108 1.00 0.00 C ATOM 1502 C PRO A 602 1.203 4.621 -7.867 1.00 0.00 C ATOM 1503 O PRO A 602 -0.008 4.450 -7.695 1.00 0.00 O ATOM 1504 CB PRO A 602 1.051 6.726 -9.238 1.00 0.00 C ATOM 1505 CG PRO A 602 0.183 6.685 -10.495 1.00 0.00 C ATOM 1506 CD PRO A 602 0.197 5.231 -10.950 1.00 0.00 C ATOM 0 HA PRO A 602 2.788 5.451 -9.028 1.00 0.00 H new ATOM 0 HB2 PRO A 602 0.448 6.952 -8.359 1.00 0.00 H new ATOM 0 HB3 PRO A 602 1.807 7.507 -9.315 1.00 0.00 H new ATOM 0 HG2 PRO A 602 -0.832 7.020 -10.282 1.00 0.00 H new ATOM 0 HG3 PRO A 602 0.580 7.342 -11.268 1.00 0.00 H new ATOM 0 HD2 PRO A 602 -0.742 4.739 -10.697 1.00 0.00 H new ATOM 0 HD3 PRO A 602 0.309 5.167 -12.032 1.00 0.00 H new ATOM 1514 N LEU A 603 2.122 4.198 -7.002 1.00 0.00 N ATOM 1515 CA LEU A 603 1.734 3.452 -5.816 1.00 0.00 C ATOM 1516 C LEU A 603 1.580 4.384 -4.625 1.00 0.00 C ATOM 1517 O LEU A 603 2.152 5.481 -4.572 1.00 0.00 O ATOM 1518 CB LEU A 603 2.746 2.344 -5.476 1.00 0.00 C ATOM 1519 CG LEU A 603 3.139 1.437 -6.653 1.00 0.00 C ATOM 1520 CD1 LEU A 603 4.158 0.403 -6.182 1.00 0.00 C ATOM 1521 CD2 LEU A 603 1.912 0.724 -7.213 1.00 0.00 C ATOM 0 H LEU A 603 3.125 4.358 -7.100 1.00 0.00 H new ATOM 0 HA LEU A 603 0.776 2.980 -6.035 1.00 0.00 H new ATOM 0 HB2 LEU A 603 3.648 2.807 -5.077 1.00 0.00 H new ATOM 0 HB3 LEU A 603 2.329 1.724 -4.683 1.00 0.00 H new ATOM 0 HG LEU A 603 3.575 2.054 -7.439 1.00 0.00 H new ATOM 0 HD11 LEU A 603 4.436 -0.240 -7.017 1.00 0.00 H new ATOM 0 HD12 LEU A 603 5.045 0.912 -5.804 1.00 0.00 H new ATOM 0 HD13 LEU A 603 3.721 -0.202 -5.388 1.00 0.00 H new ATOM 0 HD21 LEU A 603 2.210 0.087 -8.045 1.00 0.00 H new ATOM 0 HD22 LEU A 603 1.458 0.113 -6.432 1.00 0.00 H new ATOM 0 HD23 LEU A 603 1.190 1.462 -7.562 1.00 0.00 H new ATOM 1533 N VAL A 604 0.900 3.877 -3.606 1.00 0.00 N ATOM 1534 CA VAL A 604 0.983 4.339 -2.235 1.00 0.00 C ATOM 1535 C VAL A 604 0.829 3.085 -1.377 1.00 0.00 C ATOM 1536 O VAL A 604 -0.201 2.423 -1.415 1.00 0.00 O ATOM 1537 CB VAL A 604 -0.043 5.463 -1.961 1.00 0.00 C ATOM 1538 CG1 VAL A 604 -1.459 5.112 -2.414 1.00 0.00 C ATOM 1539 CG2 VAL A 604 -0.076 5.848 -0.475 1.00 0.00 C ATOM 0 H VAL A 604 0.249 3.100 -3.721 1.00 0.00 H new ATOM 0 HA VAL A 604 1.933 4.817 -1.996 1.00 0.00 H new ATOM 0 HB VAL A 604 0.299 6.311 -2.554 1.00 0.00 H new ATOM 0 HG11 VAL A 604 -2.128 5.943 -2.192 1.00 0.00 H new ATOM 0 HG12 VAL A 604 -1.461 4.921 -3.487 1.00 0.00 H new ATOM 0 HG13 VAL A 604 -1.800 4.221 -1.886 1.00 0.00 H new ATOM 0 HG21 VAL A 604 -0.808 6.641 -0.321 1.00 0.00 H new ATOM 0 HG22 VAL A 604 -0.352 4.978 0.120 1.00 0.00 H new ATOM 0 HG23 VAL A 604 0.909 6.199 -0.168 1.00 0.00 H new ATOM 1549 N THR A 605 1.873 2.710 -0.649 1.00 0.00 N ATOM 1550 CA THR A 605 1.825 1.652 0.357 1.00 0.00 C ATOM 1551 C THR A 605 3.049 1.788 1.265 1.00 0.00 C ATOM 1552 O THR A 605 3.829 2.730 1.135 1.00 0.00 O ATOM 1553 CB THR A 605 1.684 0.261 -0.299 1.00 0.00 C ATOM 1554 OG1 THR A 605 0.941 -0.575 0.565 1.00 0.00 O ATOM 1555 CG2 THR A 605 2.995 -0.448 -0.617 1.00 0.00 C ATOM 0 H THR A 605 2.794 3.139 -0.741 1.00 0.00 H new ATOM 0 HA THR A 605 0.937 1.757 0.980 1.00 0.00 H new ATOM 0 HB THR A 605 1.192 0.441 -1.255 1.00 0.00 H new ATOM 0 HG1 THR A 605 0.769 -1.432 0.123 1.00 0.00 H new ATOM 0 HG21 THR A 605 2.784 -1.415 -1.074 1.00 0.00 H new ATOM 0 HG22 THR A 605 3.579 0.160 -1.307 1.00 0.00 H new ATOM 0 HG23 THR A 605 3.560 -0.597 0.303 1.00 0.00 H new ATOM 1563 N MET A 606 3.229 0.875 2.205 1.00 0.00 N ATOM 1564 CA MET A 606 4.367 0.892 3.125 1.00 0.00 C ATOM 1565 C MET A 606 5.542 0.110 2.484 1.00 0.00 C ATOM 1566 O MET A 606 5.388 -0.339 1.348 1.00 0.00 O ATOM 1567 CB MET A 606 3.923 0.361 4.496 1.00 0.00 C ATOM 1568 CG MET A 606 2.464 0.633 4.892 1.00 0.00 C ATOM 1569 SD MET A 606 1.527 -0.904 5.166 1.00 0.00 S ATOM 1570 CE MET A 606 0.147 -0.717 4.011 1.00 0.00 C ATOM 0 H MET A 606 2.590 0.095 2.357 1.00 0.00 H new ATOM 0 HA MET A 606 4.730 1.905 3.301 1.00 0.00 H new ATOM 0 HB2 MET A 606 4.087 -0.716 4.515 1.00 0.00 H new ATOM 0 HB3 MET A 606 4.571 0.796 5.257 1.00 0.00 H new ATOM 0 HG2 MET A 606 2.442 1.236 5.800 1.00 0.00 H new ATOM 0 HG3 MET A 606 1.980 1.217 4.109 1.00 0.00 H new ATOM 0 HE1 MET A 606 -0.747 -1.173 4.436 1.00 0.00 H new ATOM 0 HE2 MET A 606 -0.036 0.342 3.831 1.00 0.00 H new ATOM 0 HE3 MET A 606 0.392 -1.208 3.069 1.00 0.00 H new ATOM 1580 N PRO A 607 6.719 -0.053 3.121 1.00 0.00 N ATOM 1581 CA PRO A 607 7.864 -0.756 2.525 1.00 0.00 C ATOM 1582 C PRO A 607 7.702 -2.289 2.376 1.00 0.00 C ATOM 1583 O PRO A 607 8.647 -3.023 2.632 1.00 0.00 O ATOM 1584 CB PRO A 607 9.089 -0.337 3.366 1.00 0.00 C ATOM 1585 CG PRO A 607 8.538 0.238 4.660 1.00 0.00 C ATOM 1586 CD PRO A 607 7.115 0.657 4.328 1.00 0.00 C ATOM 0 HA PRO A 607 7.974 -0.462 1.481 1.00 0.00 H new ATOM 0 HB2 PRO A 607 9.736 -1.192 3.564 1.00 0.00 H new ATOM 0 HB3 PRO A 607 9.690 0.402 2.837 1.00 0.00 H new ATOM 0 HG2 PRO A 607 8.555 -0.502 5.460 1.00 0.00 H new ATOM 0 HG3 PRO A 607 9.131 1.088 4.999 1.00 0.00 H new ATOM 0 HD2 PRO A 607 6.443 0.417 5.152 1.00 0.00 H new ATOM 0 HD3 PRO A 607 7.059 1.735 4.175 1.00 0.00 H new ATOM 1594 N ILE A 608 6.549 -2.781 1.906 1.00 0.00 N ATOM 1595 CA ILE A 608 6.129 -4.171 1.700 1.00 0.00 C ATOM 1596 C ILE A 608 6.842 -5.151 2.644 1.00 0.00 C ATOM 1597 O ILE A 608 6.400 -5.316 3.787 1.00 0.00 O ATOM 1598 CB ILE A 608 6.181 -4.549 0.196 1.00 0.00 C ATOM 1599 CG1 ILE A 608 5.257 -3.644 -0.657 1.00 0.00 C ATOM 1600 CG2 ILE A 608 5.836 -6.028 -0.069 1.00 0.00 C ATOM 1601 CD1 ILE A 608 3.752 -3.924 -0.512 1.00 0.00 C ATOM 0 H ILE A 608 5.804 -2.141 1.630 1.00 0.00 H new ATOM 0 HA ILE A 608 5.081 -4.260 1.986 1.00 0.00 H new ATOM 0 HB ILE A 608 7.217 -4.389 -0.103 1.00 0.00 H new ATOM 0 HG12 ILE A 608 5.445 -2.604 -0.388 1.00 0.00 H new ATOM 0 HG13 ILE A 608 5.532 -3.757 -1.706 1.00 0.00 H new ATOM 0 HG21 ILE A 608 5.890 -6.228 -1.139 1.00 0.00 H new ATOM 0 HG22 ILE A 608 6.546 -6.667 0.456 1.00 0.00 H new ATOM 0 HG23 ILE A 608 4.827 -6.236 0.288 1.00 0.00 H new ATOM 0 HD11 ILE A 608 3.192 -3.239 -1.148 1.00 0.00 H new ATOM 0 HD12 ILE A 608 3.542 -4.951 -0.811 1.00 0.00 H new ATOM 0 HD13 ILE A 608 3.454 -3.781 0.527 1.00 0.00 H new ATOM 1613 N GLY A 609 7.936 -5.765 2.194 1.00 0.00 N ATOM 1614 CA GLY A 609 8.817 -6.609 2.964 1.00 0.00 C ATOM 1615 C GLY A 609 9.564 -5.735 3.962 1.00 0.00 C ATOM 1616 O GLY A 609 10.678 -5.332 3.695 1.00 0.00 O ATOM 0 H GLY A 609 8.239 -5.674 1.224 1.00 0.00 H new ATOM 0 HA2 GLY A 609 8.247 -7.378 3.485 1.00 0.00 H new ATOM 0 HA3 GLY A 609 9.520 -7.123 2.308 1.00 0.00 H new ATOM 1620 N TYR A 610 8.943 -5.430 5.093 1.00 0.00 N ATOM 1621 CA TYR A 610 9.478 -4.696 6.238 1.00 0.00 C ATOM 1622 C TYR A 610 9.166 -5.374 7.593 1.00 0.00 C ATOM 1623 O TYR A 610 9.769 -5.045 8.613 1.00 0.00 O ATOM 1624 CB TYR A 610 8.909 -3.266 6.183 1.00 0.00 C ATOM 1625 CG TYR A 610 9.192 -2.464 7.434 1.00 0.00 C ATOM 1626 CD1 TYR A 610 10.527 -2.246 7.805 1.00 0.00 C ATOM 1627 CD2 TYR A 610 8.153 -2.139 8.325 1.00 0.00 C ATOM 1628 CE1 TYR A 610 10.828 -1.785 9.097 1.00 0.00 C ATOM 1629 CE2 TYR A 610 8.444 -1.630 9.602 1.00 0.00 C ATOM 1630 CZ TYR A 610 9.789 -1.482 10.005 1.00 0.00 C ATOM 1631 OH TYR A 610 10.075 -1.085 11.276 1.00 0.00 O ATOM 0 H TYR A 610 7.975 -5.711 5.249 1.00 0.00 H new ATOM 0 HA TYR A 610 10.566 -4.682 6.172 1.00 0.00 H new ATOM 0 HB2 TYR A 610 9.331 -2.747 5.323 1.00 0.00 H new ATOM 0 HB3 TYR A 610 7.831 -3.316 6.027 1.00 0.00 H new ATOM 0 HD1 TYR A 610 11.322 -2.432 7.098 1.00 0.00 H new ATOM 0 HD2 TYR A 610 7.125 -2.282 8.026 1.00 0.00 H new ATOM 0 HE1 TYR A 610 11.858 -1.662 9.398 1.00 0.00 H new ATOM 0 HE2 TYR A 610 7.643 -1.353 10.272 1.00 0.00 H new ATOM 0 HH TYR A 610 9.241 -0.917 11.762 1.00 0.00 H new ATOM 1641 N VAL A 611 8.223 -6.318 7.630 1.00 0.00 N ATOM 1642 CA VAL A 611 7.833 -7.025 8.856 1.00 0.00 C ATOM 1643 C VAL A 611 7.416 -8.445 8.498 1.00 0.00 C ATOM 1644 O VAL A 611 8.076 -9.412 8.862 1.00 0.00 O ATOM 1645 CB VAL A 611 6.749 -6.289 9.682 1.00 0.00 C ATOM 1646 CG1 VAL A 611 7.360 -5.383 10.756 1.00 0.00 C ATOM 1647 CG2 VAL A 611 5.819 -5.445 8.814 1.00 0.00 C ATOM 0 H VAL A 611 7.703 -6.617 6.805 1.00 0.00 H new ATOM 0 HA VAL A 611 8.701 -7.055 9.514 1.00 0.00 H new ATOM 0 HB VAL A 611 6.170 -7.081 10.157 1.00 0.00 H new ATOM 0 HG11 VAL A 611 6.563 -4.887 11.310 1.00 0.00 H new ATOM 0 HG12 VAL A 611 7.959 -5.983 11.441 1.00 0.00 H new ATOM 0 HG13 VAL A 611 7.993 -4.633 10.282 1.00 0.00 H new ATOM 0 HG21 VAL A 611 5.080 -4.952 9.445 1.00 0.00 H new ATOM 0 HG22 VAL A 611 6.401 -4.693 8.282 1.00 0.00 H new ATOM 0 HG23 VAL A 611 5.311 -6.087 8.094 1.00 0.00 H new ATOM 1657 N THR A 612 6.357 -8.571 7.706 1.00 0.00 N ATOM 1658 CA THR A 612 5.727 -9.827 7.321 1.00 0.00 C ATOM 1659 C THR A 612 6.656 -10.762 6.512 1.00 0.00 C ATOM 1660 O THR A 612 6.453 -11.974 6.545 1.00 0.00 O ATOM 1661 CB THR A 612 4.405 -9.454 6.618 1.00 0.00 C ATOM 1662 OG1 THR A 612 3.689 -10.583 6.180 1.00 0.00 O ATOM 1663 CG2 THR A 612 4.642 -8.534 5.411 1.00 0.00 C ATOM 0 H THR A 612 5.893 -7.761 7.296 1.00 0.00 H new ATOM 0 HA THR A 612 5.511 -10.439 8.197 1.00 0.00 H new ATOM 0 HB THR A 612 3.816 -8.931 7.371 1.00 0.00 H new ATOM 0 HG1 THR A 612 2.839 -10.640 6.665 1.00 0.00 H new ATOM 0 HG21 THR A 612 3.687 -8.294 4.943 1.00 0.00 H new ATOM 0 HG22 THR A 612 5.124 -7.615 5.743 1.00 0.00 H new ATOM 0 HG23 THR A 612 5.283 -9.039 4.689 1.00 0.00 H new ATOM 1671 N HIS A 613 7.674 -10.236 5.810 1.00 0.00 N ATOM 1672 CA HIS A 613 8.711 -11.020 5.112 1.00 0.00 C ATOM 1673 C HIS A 613 9.982 -11.180 5.969 1.00 0.00 C ATOM 1674 O HIS A 613 10.997 -11.649 5.457 1.00 0.00 O ATOM 1675 CB HIS A 613 9.059 -10.386 3.742 1.00 0.00 C ATOM 1676 CG HIS A 613 8.153 -10.788 2.598 1.00 0.00 C ATOM 1677 ND1 HIS A 613 6.792 -10.565 2.483 1.00 0.00 N ATOM 1678 CD2 HIS A 613 8.557 -11.462 1.473 1.00 0.00 C ATOM 1679 CE1 HIS A 613 6.384 -11.132 1.335 1.00 0.00 C ATOM 1680 NE2 HIS A 613 7.430 -11.692 0.707 1.00 0.00 N ATOM 0 H HIS A 613 7.803 -9.229 5.709 1.00 0.00 H new ATOM 0 HA HIS A 613 8.299 -12.014 4.940 1.00 0.00 H new ATOM 0 HB2 HIS A 613 9.030 -9.301 3.844 1.00 0.00 H new ATOM 0 HB3 HIS A 613 10.084 -10.655 3.485 1.00 0.00 H new ATOM 0 HD2 HIS A 613 9.567 -11.758 1.231 1.00 0.00 H new ATOM 0 HE1 HIS A 613 5.367 -11.136 0.972 1.00 0.00 H new ATOM 0 HE2 HIS A 613 7.399 -12.198 -0.178 1.00 0.00 H new ATOM 1689 N GLY A 614 9.972 -10.722 7.224 1.00 0.00 N ATOM 1690 CA GLY A 614 11.133 -10.726 8.106 1.00 0.00 C ATOM 1691 C GLY A 614 12.208 -9.704 7.726 1.00 0.00 C ATOM 1692 O GLY A 614 13.245 -9.642 8.380 1.00 0.00 O ATOM 0 H GLY A 614 9.137 -10.331 7.660 1.00 0.00 H new ATOM 0 HA2 GLY A 614 10.802 -10.528 9.126 1.00 0.00 H new ATOM 0 HA3 GLY A 614 11.576 -11.722 8.102 1.00 0.00 H new ATOM 1696 N PHE A 615 11.992 -8.903 6.681 1.00 0.00 N ATOM 1697 CA PHE A 615 12.959 -7.910 6.228 1.00 0.00 C ATOM 1698 C PHE A 615 13.063 -6.785 7.256 1.00 0.00 C ATOM 1699 O PHE A 615 12.067 -6.430 7.875 1.00 0.00 O ATOM 1700 CB PHE A 615 12.477 -7.308 4.909 1.00 0.00 C ATOM 1701 CG PHE A 615 12.761 -8.025 3.600 1.00 0.00 C ATOM 1702 CD1 PHE A 615 13.038 -9.403 3.535 1.00 0.00 C ATOM 1703 CD2 PHE A 615 12.729 -7.276 2.408 1.00 0.00 C ATOM 1704 CE1 PHE A 615 13.315 -10.007 2.295 1.00 0.00 C ATOM 1705 CE2 PHE A 615 13.006 -7.876 1.170 1.00 0.00 C ATOM 1706 CZ PHE A 615 13.302 -9.247 1.114 1.00 0.00 C ATOM 0 H PHE A 615 11.137 -8.927 6.125 1.00 0.00 H new ATOM 0 HA PHE A 615 13.930 -8.389 6.100 1.00 0.00 H new ATOM 0 HB2 PHE A 615 11.397 -7.185 4.984 1.00 0.00 H new ATOM 0 HB3 PHE A 615 12.907 -6.309 4.832 1.00 0.00 H new ATOM 0 HD1 PHE A 615 13.038 -9.997 4.437 1.00 0.00 H new ATOM 0 HD2 PHE A 615 12.488 -6.224 2.447 1.00 0.00 H new ATOM 0 HE1 PHE A 615 13.539 -11.063 2.251 1.00 0.00 H new ATOM 0 HE2 PHE A 615 12.992 -7.286 0.265 1.00 0.00 H new ATOM 0 HZ PHE A 615 13.519 -9.716 0.166 1.00 0.00 H new ATOM 1716 N ASN A 616 14.235 -6.164 7.373 1.00 0.00 N ATOM 1717 CA ASN A 616 14.423 -4.904 8.099 1.00 0.00 C ATOM 1718 C ASN A 616 14.113 -3.712 7.223 1.00 0.00 C ATOM 1719 O ASN A 616 14.123 -3.833 6.006 1.00 0.00 O ATOM 1720 CB ASN A 616 15.899 -4.756 8.480 1.00 0.00 C ATOM 1721 CG ASN A 616 16.179 -5.341 9.842 1.00 0.00 C ATOM 1722 OD1 ASN A 616 15.855 -4.702 10.840 1.00 0.00 O ATOM 1723 ND2 ASN A 616 16.767 -6.512 9.928 1.00 0.00 N ATOM 0 H ASN A 616 15.095 -6.525 6.961 1.00 0.00 H new ATOM 0 HA ASN A 616 13.762 -4.931 8.965 1.00 0.00 H new ATOM 0 HB2 ASN A 616 16.520 -5.253 7.735 1.00 0.00 H new ATOM 0 HB3 ASN A 616 16.174 -3.701 8.472 1.00 0.00 H new ATOM 0 HD21 ASN A 616 16.967 -6.916 10.843 1.00 0.00 H new ATOM 0 HD22 ASN A 616 17.023 -7.017 9.080 1.00 0.00 H new ATOM 1730 N LEU A 617 14.034 -2.526 7.838 1.00 0.00 N ATOM 1731 CA LEU A 617 13.931 -1.234 7.159 1.00 0.00 C ATOM 1732 C LEU A 617 15.009 -1.051 6.091 1.00 0.00 C ATOM 1733 O LEU A 617 14.753 -0.398 5.085 1.00 0.00 O ATOM 1734 CB LEU A 617 14.024 -0.098 8.196 1.00 0.00 C ATOM 1735 CG LEU A 617 13.494 1.262 7.691 1.00 0.00 C ATOM 1736 CD1 LEU A 617 11.980 1.229 7.429 1.00 0.00 C ATOM 1737 CD2 LEU A 617 13.778 2.353 8.727 1.00 0.00 C ATOM 0 H LEU A 617 14.040 -2.439 8.854 1.00 0.00 H new ATOM 0 HA LEU A 617 12.966 -1.204 6.653 1.00 0.00 H new ATOM 0 HB2 LEU A 617 13.464 -0.386 9.086 1.00 0.00 H new ATOM 0 HB3 LEU A 617 15.065 0.019 8.498 1.00 0.00 H new ATOM 0 HG LEU A 617 14.008 1.475 6.754 1.00 0.00 H new ATOM 0 HD11 LEU A 617 11.651 2.206 7.075 1.00 0.00 H new ATOM 0 HD12 LEU A 617 11.758 0.476 6.673 1.00 0.00 H new ATOM 0 HD13 LEU A 617 11.456 0.982 8.352 1.00 0.00 H new ATOM 0 HD21 LEU A 617 13.401 3.308 8.362 1.00 0.00 H new ATOM 0 HD22 LEU A 617 13.283 2.102 9.665 1.00 0.00 H new ATOM 0 HD23 LEU A 617 14.853 2.427 8.892 1.00 0.00 H new ATOM 1749 N GLU A 618 16.194 -1.625 6.302 1.00 0.00 N ATOM 1750 CA GLU A 618 17.289 -1.580 5.339 1.00 0.00 C ATOM 1751 C GLU A 618 16.934 -2.371 4.100 1.00 0.00 C ATOM 1752 O GLU A 618 16.878 -1.828 3.005 1.00 0.00 O ATOM 1753 CB GLU A 618 18.561 -2.183 5.938 1.00 0.00 C ATOM 1754 CG GLU A 618 18.994 -1.383 7.152 1.00 0.00 C ATOM 1755 CD GLU A 618 20.508 -1.318 7.275 1.00 0.00 C ATOM 1756 OE1 GLU A 618 21.135 -0.699 6.380 1.00 0.00 O ATOM 1757 OE2 GLU A 618 21.049 -1.837 8.278 1.00 0.00 O ATOM 0 H GLU A 618 16.420 -2.138 7.154 1.00 0.00 H new ATOM 0 HA GLU A 618 17.459 -0.534 5.083 1.00 0.00 H new ATOM 0 HB2 GLU A 618 18.383 -3.221 6.221 1.00 0.00 H new ATOM 0 HB3 GLU A 618 19.357 -2.188 5.193 1.00 0.00 H new ATOM 0 HG2 GLU A 618 18.591 -0.372 7.084 1.00 0.00 H new ATOM 0 HG3 GLU A 618 18.575 -1.833 8.052 1.00 0.00 H new ATOM 1764 N GLU A 619 16.722 -3.665 4.303 1.00 0.00 N ATOM 1765 CA GLU A 619 16.436 -4.652 3.268 1.00 0.00 C ATOM 1766 C GLU A 619 15.225 -4.189 2.464 1.00 0.00 C ATOM 1767 O GLU A 619 15.256 -4.146 1.236 1.00 0.00 O ATOM 1768 CB GLU A 619 16.198 -6.024 3.925 1.00 0.00 C ATOM 1769 CG GLU A 619 17.376 -6.382 4.851 1.00 0.00 C ATOM 1770 CD GLU A 619 17.303 -7.799 5.392 1.00 0.00 C ATOM 1771 OE1 GLU A 619 16.307 -8.150 6.057 1.00 0.00 O ATOM 1772 OE2 GLU A 619 18.311 -8.528 5.242 1.00 0.00 O ATOM 0 H GLU A 619 16.746 -4.075 5.237 1.00 0.00 H new ATOM 0 HA GLU A 619 17.279 -4.752 2.585 1.00 0.00 H new ATOM 0 HB2 GLU A 619 15.270 -6.006 4.496 1.00 0.00 H new ATOM 0 HB3 GLU A 619 16.085 -6.789 3.156 1.00 0.00 H new ATOM 0 HG2 GLU A 619 18.311 -6.257 4.304 1.00 0.00 H new ATOM 0 HG3 GLU A 619 17.399 -5.682 5.686 1.00 0.00 H new ATOM 1779 N ALA A 620 14.197 -3.757 3.188 1.00 0.00 N ATOM 1780 CA ALA A 620 12.977 -3.169 2.698 1.00 0.00 C ATOM 1781 C ALA A 620 13.274 -1.955 1.810 1.00 0.00 C ATOM 1782 O ALA A 620 12.827 -1.918 0.669 1.00 0.00 O ATOM 1783 CB ALA A 620 12.119 -2.821 3.920 1.00 0.00 C ATOM 0 H ALA A 620 14.206 -3.818 4.206 1.00 0.00 H new ATOM 0 HA ALA A 620 12.429 -3.864 2.062 1.00 0.00 H new ATOM 0 HB1 ALA A 620 11.182 -2.371 3.591 1.00 0.00 H new ATOM 0 HB2 ALA A 620 11.907 -3.728 4.486 1.00 0.00 H new ATOM 0 HB3 ALA A 620 12.657 -2.116 4.553 1.00 0.00 H new ATOM 1789 N ALA A 621 14.027 -0.961 2.296 1.00 0.00 N ATOM 1790 CA ALA A 621 14.385 0.231 1.525 1.00 0.00 C ATOM 1791 C ALA A 621 15.197 -0.134 0.277 1.00 0.00 C ATOM 1792 O ALA A 621 14.911 0.371 -0.808 1.00 0.00 O ATOM 1793 CB ALA A 621 15.189 1.202 2.396 1.00 0.00 C ATOM 0 H ALA A 621 14.407 -0.963 3.243 1.00 0.00 H new ATOM 0 HA ALA A 621 13.460 0.709 1.204 1.00 0.00 H new ATOM 0 HB1 ALA A 621 15.450 2.085 1.812 1.00 0.00 H new ATOM 0 HB2 ALA A 621 14.590 1.500 3.256 1.00 0.00 H new ATOM 0 HB3 ALA A 621 16.100 0.713 2.740 1.00 0.00 H new ATOM 1799 N ARG A 622 16.203 -1.005 0.403 1.00 0.00 N ATOM 1800 CA ARG A 622 17.060 -1.432 -0.702 1.00 0.00 C ATOM 1801 C ARG A 622 16.218 -2.095 -1.790 1.00 0.00 C ATOM 1802 O ARG A 622 16.361 -1.731 -2.962 1.00 0.00 O ATOM 1803 CB ARG A 622 18.162 -2.355 -0.186 1.00 0.00 C ATOM 1804 CG ARG A 622 19.153 -1.590 0.712 1.00 0.00 C ATOM 1805 CD ARG A 622 20.031 -2.616 1.413 1.00 0.00 C ATOM 1806 NE ARG A 622 20.755 -2.056 2.569 1.00 0.00 N ATOM 1807 CZ ARG A 622 21.902 -2.519 3.083 1.00 0.00 C ATOM 1808 NH1 ARG A 622 22.649 -3.384 2.406 1.00 0.00 N ATOM 1809 NH2 ARG A 622 22.307 -2.122 4.282 1.00 0.00 N ATOM 0 H ARG A 622 16.447 -1.440 1.293 1.00 0.00 H new ATOM 0 HA ARG A 622 17.545 -0.562 -1.146 1.00 0.00 H new ATOM 0 HB2 ARG A 622 17.718 -3.177 0.375 1.00 0.00 H new ATOM 0 HB3 ARG A 622 18.695 -2.795 -1.028 1.00 0.00 H new ATOM 0 HG2 ARG A 622 19.761 -0.909 0.116 1.00 0.00 H new ATOM 0 HG3 ARG A 622 18.617 -0.983 1.442 1.00 0.00 H new ATOM 0 HD2 ARG A 622 19.412 -3.449 1.747 1.00 0.00 H new ATOM 0 HD3 ARG A 622 20.751 -3.019 0.700 1.00 0.00 H new ATOM 0 HE ARG A 622 20.344 -1.239 3.020 1.00 0.00 H new ATOM 0 HH11 ARG A 622 22.351 -3.703 1.484 1.00 0.00 H new ATOM 0 HH12 ARG A 622 23.520 -3.729 2.808 1.00 0.00 H new ATOM 0 HH21 ARG A 622 21.744 -1.461 4.817 1.00 0.00 H new ATOM 0 HH22 ARG A 622 23.181 -2.478 4.669 1.00 0.00 H new ATOM 1823 N CYS A 623 15.311 -2.997 -1.401 1.00 0.00 N ATOM 1824 CA CYS A 623 14.353 -3.611 -2.306 1.00 0.00 C ATOM 1825 C CYS A 623 13.458 -2.535 -2.924 1.00 0.00 C ATOM 1826 O CYS A 623 13.240 -2.534 -4.130 1.00 0.00 O ATOM 1827 CB CYS A 623 13.539 -4.700 -1.583 1.00 0.00 C ATOM 1828 SG CYS A 623 13.104 -6.003 -2.771 1.00 0.00 S ATOM 0 H CYS A 623 15.226 -3.320 -0.437 1.00 0.00 H new ATOM 0 HA CYS A 623 14.889 -4.104 -3.117 1.00 0.00 H new ATOM 0 HB2 CYS A 623 14.119 -5.119 -0.761 1.00 0.00 H new ATOM 0 HB3 CYS A 623 12.636 -4.269 -1.150 1.00 0.00 H new ATOM 0 HG CYS A 623 12.808 -7.094 -2.129 1.00 0.00 H new ATOM 1834 N MET A 624 12.962 -1.583 -2.135 1.00 0.00 N ATOM 1835 CA MET A 624 12.071 -0.533 -2.615 1.00 0.00 C ATOM 1836 C MET A 624 12.761 0.393 -3.620 1.00 0.00 C ATOM 1837 O MET A 624 12.089 0.946 -4.490 1.00 0.00 O ATOM 1838 CB MET A 624 11.544 0.276 -1.429 1.00 0.00 C ATOM 1839 CG MET A 624 10.497 -0.477 -0.601 1.00 0.00 C ATOM 1840 SD MET A 624 8.787 -0.298 -1.169 1.00 0.00 S ATOM 1841 CE MET A 624 8.559 1.464 -0.874 1.00 0.00 C ATOM 0 H MET A 624 13.170 -1.520 -1.138 1.00 0.00 H new ATOM 0 HA MET A 624 11.241 -1.012 -3.134 1.00 0.00 H new ATOM 0 HB2 MET A 624 12.379 0.549 -0.784 1.00 0.00 H new ATOM 0 HB3 MET A 624 11.108 1.205 -1.796 1.00 0.00 H new ATOM 0 HG2 MET A 624 10.753 -1.537 -0.599 1.00 0.00 H new ATOM 0 HG3 MET A 624 10.558 -0.132 0.431 1.00 0.00 H new ATOM 0 HE1 MET A 624 7.501 1.673 -0.717 1.00 0.00 H new ATOM 0 HE2 MET A 624 9.122 1.761 0.011 1.00 0.00 H new ATOM 0 HE3 MET A 624 8.916 2.027 -1.737 1.00 0.00 H new ATOM 1851 N ARG A 625 14.082 0.591 -3.552 1.00 0.00 N ATOM 1852 CA ARG A 625 14.805 1.287 -4.617 1.00 0.00 C ATOM 1853 C ARG A 625 14.784 0.527 -5.944 1.00 0.00 C ATOM 1854 O ARG A 625 14.901 1.171 -6.988 1.00 0.00 O ATOM 1855 CB ARG A 625 16.250 1.572 -4.220 1.00 0.00 C ATOM 1856 CG ARG A 625 16.315 2.631 -3.119 1.00 0.00 C ATOM 1857 CD ARG A 625 17.750 3.136 -2.976 1.00 0.00 C ATOM 1858 NE ARG A 625 18.213 3.950 -4.115 1.00 0.00 N ATOM 1859 CZ ARG A 625 17.954 5.239 -4.363 1.00 0.00 C ATOM 1860 NH1 ARG A 625 16.941 5.864 -3.772 1.00 0.00 N ATOM 1861 NH2 ARG A 625 18.702 5.913 -5.229 1.00 0.00 N ATOM 0 H ARG A 625 14.667 0.281 -2.776 1.00 0.00 H new ATOM 0 HA ARG A 625 14.278 2.230 -4.761 1.00 0.00 H new ATOM 0 HB2 ARG A 625 16.724 0.653 -3.875 1.00 0.00 H new ATOM 0 HB3 ARG A 625 16.810 1.912 -5.091 1.00 0.00 H new ATOM 0 HG2 ARG A 625 15.649 3.460 -3.359 1.00 0.00 H new ATOM 0 HG3 ARG A 625 15.972 2.209 -2.174 1.00 0.00 H new ATOM 0 HD2 ARG A 625 17.827 3.728 -2.064 1.00 0.00 H new ATOM 0 HD3 ARG A 625 18.416 2.281 -2.859 1.00 0.00 H new ATOM 0 HE ARG A 625 18.802 3.472 -4.797 1.00 0.00 H new ATOM 0 HH11 ARG A 625 16.344 5.361 -3.116 1.00 0.00 H new ATOM 0 HH12 ARG A 625 16.760 6.847 -3.975 1.00 0.00 H new ATOM 0 HH21 ARG A 625 19.475 5.448 -5.706 1.00 0.00 H new ATOM 0 HH22 ARG A 625 18.504 6.896 -5.417 1.00 0.00 H new ATOM 1875 N SER A 626 14.623 -0.799 -5.939 1.00 0.00 N ATOM 1876 CA SER A 626 14.527 -1.579 -7.168 1.00 0.00 C ATOM 1877 C SER A 626 13.224 -1.295 -7.919 1.00 0.00 C ATOM 1878 O SER A 626 13.109 -1.663 -9.085 1.00 0.00 O ATOM 1879 CB SER A 626 14.595 -3.080 -6.865 1.00 0.00 C ATOM 1880 OG SER A 626 15.720 -3.443 -6.072 1.00 0.00 O ATOM 0 H SER A 626 14.556 -1.356 -5.087 1.00 0.00 H new ATOM 0 HA SER A 626 15.370 -1.284 -7.793 1.00 0.00 H new ATOM 0 HB2 SER A 626 13.683 -3.381 -6.349 1.00 0.00 H new ATOM 0 HB3 SER A 626 14.628 -3.632 -7.804 1.00 0.00 H new ATOM 0 HG SER A 626 15.708 -4.410 -5.911 1.00 0.00 H new ATOM 1886 N LEU A 627 12.229 -0.673 -7.277 1.00 0.00 N ATOM 1887 CA LEU A 627 10.946 -0.374 -7.891 1.00 0.00 C ATOM 1888 C LEU A 627 11.111 0.709 -8.948 1.00 0.00 C ATOM 1889 O LEU A 627 11.738 1.743 -8.711 1.00 0.00 O ATOM 1890 CB LEU A 627 9.970 0.083 -6.800 1.00 0.00 C ATOM 1891 CG LEU A 627 8.568 0.413 -7.333 1.00 0.00 C ATOM 1892 CD1 LEU A 627 7.785 -0.840 -7.728 1.00 0.00 C ATOM 1893 CD2 LEU A 627 7.792 1.193 -6.279 1.00 0.00 C ATOM 0 H LEU A 627 12.300 -0.363 -6.308 1.00 0.00 H new ATOM 0 HA LEU A 627 10.552 -1.266 -8.379 1.00 0.00 H new ATOM 0 HB2 LEU A 627 9.889 -0.699 -6.045 1.00 0.00 H new ATOM 0 HB3 LEU A 627 10.378 0.963 -6.304 1.00 0.00 H new ATOM 0 HG LEU A 627 8.693 1.015 -8.233 1.00 0.00 H new ATOM 0 HD11 LEU A 627 6.801 -0.552 -8.098 1.00 0.00 H new ATOM 0 HD12 LEU A 627 8.325 -1.375 -8.509 1.00 0.00 H new ATOM 0 HD13 LEU A 627 7.671 -1.487 -6.858 1.00 0.00 H new ATOM 0 HD21 LEU A 627 6.797 1.427 -6.658 1.00 0.00 H new ATOM 0 HD22 LEU A 627 7.703 0.592 -5.374 1.00 0.00 H new ATOM 0 HD23 LEU A 627 8.320 2.119 -6.050 1.00 0.00 H new ATOM 1905 N LYS A 628 10.498 0.483 -10.106 1.00 0.00 N ATOM 1906 CA LYS A 628 10.644 1.308 -11.300 1.00 0.00 C ATOM 1907 C LYS A 628 9.382 2.122 -11.597 1.00 0.00 C ATOM 1908 O LYS A 628 9.413 2.944 -12.514 1.00 0.00 O ATOM 1909 CB LYS A 628 11.024 0.378 -12.467 1.00 0.00 C ATOM 1910 CG LYS A 628 12.229 -0.549 -12.182 1.00 0.00 C ATOM 1911 CD LYS A 628 13.602 0.131 -12.331 1.00 0.00 C ATOM 1912 CE LYS A 628 14.022 0.881 -11.056 1.00 0.00 C ATOM 1913 NZ LYS A 628 15.241 1.694 -11.251 1.00 0.00 N ATOM 0 H LYS A 628 9.865 -0.305 -10.243 1.00 0.00 H new ATOM 0 HA LYS A 628 11.430 2.047 -11.145 1.00 0.00 H new ATOM 0 HB2 LYS A 628 10.161 -0.237 -12.721 1.00 0.00 H new ATOM 0 HB3 LYS A 628 11.250 0.987 -13.342 1.00 0.00 H new ATOM 0 HG2 LYS A 628 12.139 -0.941 -11.169 1.00 0.00 H new ATOM 0 HG3 LYS A 628 12.184 -1.402 -12.859 1.00 0.00 H new ATOM 0 HD2 LYS A 628 14.353 -0.621 -12.572 1.00 0.00 H new ATOM 0 HD3 LYS A 628 13.570 0.829 -13.167 1.00 0.00 H new ATOM 0 HE2 LYS A 628 13.206 1.528 -10.734 1.00 0.00 H new ATOM 0 HE3 LYS A 628 14.194 0.162 -10.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 628 15.481 2.178 -10.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 628 16.029 1.076 -11.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 628 15.072 2.400 -11.996 1.00 0.00 H new ATOM 1927 N ALA A 629 8.298 1.918 -10.850 1.00 0.00 N ATOM 1928 CA ALA A 629 7.142 2.806 -10.796 1.00 0.00 C ATOM 1929 C ALA A 629 7.354 3.830 -9.663 1.00 0.00 C ATOM 1930 O ALA A 629 8.204 3.590 -8.801 1.00 0.00 O ATOM 1931 CB ALA A 629 5.902 1.946 -10.534 1.00 0.00 C ATOM 0 H ALA A 629 8.199 1.102 -10.246 1.00 0.00 H new ATOM 0 HA ALA A 629 7.012 3.351 -11.731 1.00 0.00 H new ATOM 0 HB1 ALA A 629 5.020 2.584 -10.488 1.00 0.00 H new ATOM 0 HB2 ALA A 629 5.785 1.222 -11.340 1.00 0.00 H new ATOM 0 HB3 ALA A 629 6.018 1.419 -9.587 1.00 0.00 H new ATOM 1937 N PRO A 630 6.621 4.958 -9.624 1.00 0.00 N ATOM 1938 CA PRO A 630 6.577 5.815 -8.444 1.00 0.00 C ATOM 1939 C PRO A 630 5.864 5.128 -7.283 1.00 0.00 C ATOM 1940 O PRO A 630 4.974 4.305 -7.484 1.00 0.00 O ATOM 1941 CB PRO A 630 5.802 7.077 -8.844 1.00 0.00 C ATOM 1942 CG PRO A 630 5.395 6.887 -10.307 1.00 0.00 C ATOM 1943 CD PRO A 630 5.698 5.427 -10.644 1.00 0.00 C ATOM 0 HA PRO A 630 7.589 6.046 -8.112 1.00 0.00 H new ATOM 0 HB2 PRO A 630 4.925 7.211 -8.211 1.00 0.00 H new ATOM 0 HB3 PRO A 630 6.420 7.967 -8.725 1.00 0.00 H new ATOM 0 HG2 PRO A 630 4.337 7.109 -10.449 1.00 0.00 H new ATOM 0 HG3 PRO A 630 5.952 7.561 -10.957 1.00 0.00 H new ATOM 0 HD2 PRO A 630 4.785 4.831 -10.647 1.00 0.00 H new ATOM 0 HD3 PRO A 630 6.139 5.340 -11.637 1.00 0.00 H new ATOM 1951 N ALA A 631 6.184 5.537 -6.055 1.00 0.00 N ATOM 1952 CA ALA A 631 5.570 5.014 -4.853 1.00 0.00 C ATOM 1953 C ALA A 631 5.711 6.028 -3.730 1.00 0.00 C ATOM 1954 O ALA A 631 6.832 6.332 -3.307 1.00 0.00 O ATOM 1955 CB ALA A 631 6.238 3.693 -4.484 1.00 0.00 C ATOM 0 H ALA A 631 6.889 6.252 -5.874 1.00 0.00 H new ATOM 0 HA ALA A 631 4.508 4.833 -5.020 1.00 0.00 H new ATOM 0 HB1 ALA A 631 5.780 3.294 -3.579 1.00 0.00 H new ATOM 0 HB2 ALA A 631 6.111 2.981 -5.299 1.00 0.00 H new ATOM 0 HB3 ALA A 631 7.301 3.859 -4.309 1.00 0.00 H new ATOM 1961 N VAL A 632 4.584 6.539 -3.242 1.00 0.00 N ATOM 1962 CA VAL A 632 4.511 7.152 -1.916 1.00 0.00 C ATOM 1963 C VAL A 632 4.788 6.050 -0.902 1.00 0.00 C ATOM 1964 O VAL A 632 4.365 4.907 -1.108 1.00 0.00 O ATOM 1965 CB VAL A 632 3.127 7.799 -1.693 1.00 0.00 C ATOM 1966 CG1 VAL A 632 2.896 8.280 -0.252 1.00 0.00 C ATOM 1967 CG2 VAL A 632 2.940 9.016 -2.601 1.00 0.00 C ATOM 0 H VAL A 632 3.699 6.541 -3.750 1.00 0.00 H new ATOM 0 HA VAL A 632 5.245 7.951 -1.810 1.00 0.00 H new ATOM 0 HB VAL A 632 2.412 7.009 -1.922 1.00 0.00 H new ATOM 0 HG11 VAL A 632 1.903 8.723 -0.171 1.00 0.00 H new ATOM 0 HG12 VAL A 632 2.972 7.434 0.431 1.00 0.00 H new ATOM 0 HG13 VAL A 632 3.648 9.025 0.008 1.00 0.00 H new ATOM 0 HG21 VAL A 632 1.957 9.454 -2.425 1.00 0.00 H new ATOM 0 HG22 VAL A 632 3.711 9.755 -2.382 1.00 0.00 H new ATOM 0 HG23 VAL A 632 3.018 8.708 -3.644 1.00 0.00 H new ATOM 1977 N VAL A 633 5.491 6.375 0.181 1.00 0.00 N ATOM 1978 CA VAL A 633 5.875 5.410 1.206 1.00 0.00 C ATOM 1979 C VAL A 633 5.603 6.004 2.570 1.00 0.00 C ATOM 1980 O VAL A 633 5.567 7.220 2.720 1.00 0.00 O ATOM 1981 CB VAL A 633 7.349 4.986 1.061 1.00 0.00 C ATOM 1982 CG1 VAL A 633 7.599 3.636 1.749 1.00 0.00 C ATOM 1983 CG2 VAL A 633 7.779 4.807 -0.387 1.00 0.00 C ATOM 0 H VAL A 633 5.812 7.324 0.372 1.00 0.00 H new ATOM 0 HA VAL A 633 5.279 4.506 1.084 1.00 0.00 H new ATOM 0 HB VAL A 633 7.921 5.793 1.519 1.00 0.00 H new ATOM 0 HG11 VAL A 633 8.646 3.357 1.633 1.00 0.00 H new ATOM 0 HG12 VAL A 633 7.360 3.718 2.809 1.00 0.00 H new ATOM 0 HG13 VAL A 633 6.968 2.873 1.293 1.00 0.00 H new ATOM 0 HG21 VAL A 633 8.827 4.508 -0.421 1.00 0.00 H new ATOM 0 HG22 VAL A 633 7.167 4.037 -0.856 1.00 0.00 H new ATOM 0 HG23 VAL A 633 7.652 5.748 -0.923 1.00 0.00 H new ATOM 1993 N SER A 634 5.434 5.151 3.570 1.00 0.00 N ATOM 1994 CA SER A 634 5.201 5.596 4.928 1.00 0.00 C ATOM 1995 C SER A 634 5.753 4.569 5.909 1.00 0.00 C ATOM 1996 O SER A 634 5.844 3.381 5.585 1.00 0.00 O ATOM 1997 CB SER A 634 3.696 5.815 5.081 1.00 0.00 C ATOM 1998 OG SER A 634 3.377 6.567 6.227 1.00 0.00 O ATOM 0 H SER A 634 5.455 4.137 3.460 1.00 0.00 H new ATOM 0 HA SER A 634 5.716 6.532 5.145 1.00 0.00 H new ATOM 0 HB2 SER A 634 3.314 6.326 4.197 1.00 0.00 H new ATOM 0 HB3 SER A 634 3.194 4.849 5.133 1.00 0.00 H new ATOM 0 HG SER A 634 3.564 6.036 7.029 1.00 0.00 H new ATOM 2004 N VAL A 635 6.070 5.030 7.118 1.00 0.00 N ATOM 2005 CA VAL A 635 6.602 4.218 8.209 1.00 0.00 C ATOM 2006 C VAL A 635 5.745 4.431 9.456 1.00 0.00 C ATOM 2007 O VAL A 635 5.007 5.414 9.565 1.00 0.00 O ATOM 2008 CB VAL A 635 8.090 4.548 8.484 1.00 0.00 C ATOM 2009 CG1 VAL A 635 9.046 3.867 7.500 1.00 0.00 C ATOM 2010 CG2 VAL A 635 8.354 6.050 8.417 1.00 0.00 C ATOM 0 H VAL A 635 5.960 6.012 7.372 1.00 0.00 H new ATOM 0 HA VAL A 635 6.561 3.167 7.924 1.00 0.00 H new ATOM 0 HB VAL A 635 8.280 4.169 9.488 1.00 0.00 H new ATOM 0 HG11 VAL A 635 10.073 4.137 7.745 1.00 0.00 H new ATOM 0 HG12 VAL A 635 8.929 2.785 7.568 1.00 0.00 H new ATOM 0 HG13 VAL A 635 8.817 4.193 6.485 1.00 0.00 H new ATOM 0 HG21 VAL A 635 9.408 6.243 8.615 1.00 0.00 H new ATOM 0 HG22 VAL A 635 8.097 6.421 7.425 1.00 0.00 H new ATOM 0 HG23 VAL A 635 7.745 6.560 9.163 1.00 0.00 H new ATOM 2020 N SER A 636 5.874 3.509 10.408 1.00 0.00 N ATOM 2021 CA SER A 636 5.161 3.502 11.673 1.00 0.00 C ATOM 2022 C SER A 636 5.583 4.656 12.581 1.00 0.00 C ATOM 2023 O SER A 636 4.808 5.015 13.472 1.00 0.00 O ATOM 2024 CB SER A 636 5.356 2.140 12.364 1.00 0.00 C ATOM 2025 OG SER A 636 6.718 1.762 12.483 1.00 0.00 O ATOM 0 H SER A 636 6.506 2.715 10.310 1.00 0.00 H new ATOM 0 HA SER A 636 4.100 3.650 11.469 1.00 0.00 H new ATOM 0 HB2 SER A 636 4.908 2.177 13.357 1.00 0.00 H new ATOM 0 HB3 SER A 636 4.821 1.375 11.801 1.00 0.00 H new ATOM 0 HG SER A 636 6.778 0.892 12.930 1.00 0.00 H new ATOM 2031 N SER A 637 6.754 5.259 12.353 1.00 0.00 N ATOM 2032 CA SER A 637 7.274 6.339 13.174 1.00 0.00 C ATOM 2033 C SER A 637 7.841 7.448 12.271 1.00 0.00 C ATOM 2034 O SER A 637 8.552 7.138 11.315 1.00 0.00 O ATOM 2035 CB SER A 637 8.355 5.807 14.121 1.00 0.00 C ATOM 2036 OG SER A 637 8.007 4.560 14.725 1.00 0.00 O ATOM 0 H SER A 637 7.370 5.002 11.581 1.00 0.00 H new ATOM 0 HA SER A 637 6.467 6.756 13.776 1.00 0.00 H new ATOM 0 HB2 SER A 637 9.287 5.689 13.569 1.00 0.00 H new ATOM 0 HB3 SER A 637 8.539 6.544 14.903 1.00 0.00 H new ATOM 0 HG SER A 637 8.733 4.269 15.316 1.00 0.00 H new ATOM 2042 N PRO A 638 7.584 8.732 12.562 1.00 0.00 N ATOM 2043 CA PRO A 638 8.037 9.852 11.744 1.00 0.00 C ATOM 2044 C PRO A 638 9.546 9.970 11.707 1.00 0.00 C ATOM 2045 O PRO A 638 10.108 10.190 10.642 1.00 0.00 O ATOM 2046 CB PRO A 638 7.428 11.098 12.379 1.00 0.00 C ATOM 2047 CG PRO A 638 7.120 10.692 13.823 1.00 0.00 C ATOM 2048 CD PRO A 638 6.849 9.193 13.722 1.00 0.00 C ATOM 0 HA PRO A 638 7.725 9.714 10.709 1.00 0.00 H new ATOM 0 HB2 PRO A 638 8.121 11.939 12.344 1.00 0.00 H new ATOM 0 HB3 PRO A 638 6.524 11.408 11.854 1.00 0.00 H new ATOM 0 HG2 PRO A 638 7.958 10.904 14.487 1.00 0.00 H new ATOM 0 HG3 PRO A 638 6.257 11.230 14.216 1.00 0.00 H new ATOM 0 HD2 PRO A 638 7.178 8.675 14.623 1.00 0.00 H new ATOM 0 HD3 PRO A 638 5.783 8.996 13.612 1.00 0.00 H new ATOM 2056 N ASP A 639 10.213 9.795 12.842 1.00 0.00 N ATOM 2057 CA ASP A 639 11.661 9.953 12.963 1.00 0.00 C ATOM 2058 C ASP A 639 12.447 8.862 12.228 1.00 0.00 C ATOM 2059 O ASP A 639 13.653 8.933 12.033 1.00 0.00 O ATOM 2060 CB ASP A 639 11.969 9.901 14.442 1.00 0.00 C ATOM 2061 CG ASP A 639 13.431 10.210 14.726 1.00 0.00 C ATOM 2062 OD1 ASP A 639 13.927 11.262 14.262 1.00 0.00 O ATOM 2063 OD2 ASP A 639 14.066 9.381 15.416 1.00 0.00 O ATOM 0 H ASP A 639 9.758 9.536 13.718 1.00 0.00 H new ATOM 0 HA ASP A 639 11.963 10.895 12.505 1.00 0.00 H new ATOM 0 HB2 ASP A 639 11.337 10.615 14.970 1.00 0.00 H new ATOM 0 HB3 ASP A 639 11.725 8.912 14.830 1.00 0.00 H new ATOM 2068 N ALA A 640 11.734 7.838 11.789 1.00 0.00 N ATOM 2069 CA ALA A 640 12.210 6.721 10.997 1.00 0.00 C ATOM 2070 C ALA A 640 12.021 6.973 9.497 1.00 0.00 C ATOM 2071 O ALA A 640 12.646 6.281 8.695 1.00 0.00 O ATOM 2072 CB ALA A 640 11.479 5.456 11.443 1.00 0.00 C ATOM 0 H ALA A 640 10.737 7.762 11.992 1.00 0.00 H new ATOM 0 HA ALA A 640 13.281 6.598 11.159 1.00 0.00 H new ATOM 0 HB1 ALA A 640 11.828 4.607 10.855 1.00 0.00 H new ATOM 0 HB2 ALA A 640 11.680 5.273 12.499 1.00 0.00 H new ATOM 0 HB3 ALA A 640 10.407 5.584 11.295 1.00 0.00 H new ATOM 2078 N VAL A 641 11.243 7.991 9.095 1.00 0.00 N ATOM 2079 CA VAL A 641 11.271 8.517 7.727 1.00 0.00 C ATOM 2080 C VAL A 641 12.708 8.952 7.426 1.00 0.00 C ATOM 2081 O VAL A 641 13.198 8.711 6.326 1.00 0.00 O ATOM 2082 CB VAL A 641 10.267 9.688 7.541 1.00 0.00 C ATOM 2083 CG1 VAL A 641 10.380 10.370 6.168 1.00 0.00 C ATOM 2084 CG2 VAL A 641 8.806 9.249 7.714 1.00 0.00 C ATOM 0 H VAL A 641 10.582 8.468 9.708 1.00 0.00 H new ATOM 0 HA VAL A 641 10.960 7.744 7.024 1.00 0.00 H new ATOM 0 HB VAL A 641 10.542 10.394 8.324 1.00 0.00 H new ATOM 0 HG11 VAL A 641 9.652 11.179 6.102 1.00 0.00 H new ATOM 0 HG12 VAL A 641 11.384 10.775 6.045 1.00 0.00 H new ATOM 0 HG13 VAL A 641 10.184 9.641 5.382 1.00 0.00 H new ATOM 0 HG21 VAL A 641 8.149 10.107 7.573 1.00 0.00 H new ATOM 0 HG22 VAL A 641 8.566 8.484 6.976 1.00 0.00 H new ATOM 0 HG23 VAL A 641 8.664 8.844 8.716 1.00 0.00 H new ATOM 2094 N THR A 642 13.398 9.526 8.412 1.00 0.00 N ATOM 2095 CA THR A 642 14.763 9.982 8.319 1.00 0.00 C ATOM 2096 C THR A 642 15.663 8.770 8.103 1.00 0.00 C ATOM 2097 O THR A 642 16.400 8.745 7.122 1.00 0.00 O ATOM 2098 CB THR A 642 15.054 10.725 9.631 1.00 0.00 C ATOM 2099 OG1 THR A 642 14.149 11.802 9.786 1.00 0.00 O ATOM 2100 CG2 THR A 642 16.474 11.288 9.722 1.00 0.00 C ATOM 0 H THR A 642 12.992 9.688 9.334 1.00 0.00 H new ATOM 0 HA THR A 642 14.943 10.657 7.482 1.00 0.00 H new ATOM 0 HB THR A 642 14.940 9.982 10.420 1.00 0.00 H new ATOM 0 HG1 THR A 642 14.339 12.271 10.625 1.00 0.00 H new ATOM 0 HG21 THR A 642 16.603 11.798 10.677 1.00 0.00 H new ATOM 0 HG22 THR A 642 17.194 10.473 9.646 1.00 0.00 H new ATOM 0 HG23 THR A 642 16.638 11.994 8.908 1.00 0.00 H new ATOM 2108 N THR A 643 15.559 7.746 8.958 1.00 0.00 N ATOM 2109 CA THR A 643 16.364 6.547 8.817 1.00 0.00 C ATOM 2110 C THR A 643 16.183 5.924 7.426 1.00 0.00 C ATOM 2111 O THR A 643 17.156 5.619 6.739 1.00 0.00 O ATOM 2112 CB THR A 643 16.015 5.548 9.934 1.00 0.00 C ATOM 2113 OG1 THR A 643 16.075 6.162 11.205 1.00 0.00 O ATOM 2114 CG2 THR A 643 16.974 4.362 9.923 1.00 0.00 C ATOM 0 H THR A 643 14.921 7.733 9.754 1.00 0.00 H new ATOM 0 HA THR A 643 17.416 6.815 8.914 1.00 0.00 H new ATOM 0 HB THR A 643 14.999 5.201 9.746 1.00 0.00 H new ATOM 0 HG1 THR A 643 15.847 5.506 11.896 1.00 0.00 H new ATOM 0 HG21 THR A 643 16.706 3.670 10.722 1.00 0.00 H new ATOM 0 HG22 THR A 643 16.909 3.850 8.963 1.00 0.00 H new ATOM 0 HG23 THR A 643 17.993 4.717 10.077 1.00 0.00 H new ATOM 2122 N TYR A 644 14.928 5.764 6.998 1.00 0.00 N ATOM 2123 CA TYR A 644 14.576 5.221 5.703 1.00 0.00 C ATOM 2124 C TYR A 644 15.233 6.035 4.582 1.00 0.00 C ATOM 2125 O TYR A 644 15.839 5.466 3.677 1.00 0.00 O ATOM 2126 CB TYR A 644 13.045 5.227 5.596 1.00 0.00 C ATOM 2127 CG TYR A 644 12.536 4.561 4.344 1.00 0.00 C ATOM 2128 CD1 TYR A 644 12.382 3.167 4.329 1.00 0.00 C ATOM 2129 CD2 TYR A 644 12.243 5.318 3.197 1.00 0.00 C ATOM 2130 CE1 TYR A 644 11.987 2.509 3.152 1.00 0.00 C ATOM 2131 CE2 TYR A 644 11.828 4.675 2.019 1.00 0.00 C ATOM 2132 CZ TYR A 644 11.732 3.264 1.984 1.00 0.00 C ATOM 2133 OH TYR A 644 11.397 2.632 0.832 1.00 0.00 O ATOM 0 H TYR A 644 14.117 6.017 7.562 1.00 0.00 H new ATOM 0 HA TYR A 644 14.942 4.200 5.598 1.00 0.00 H new ATOM 0 HB2 TYR A 644 12.624 4.722 6.465 1.00 0.00 H new ATOM 0 HB3 TYR A 644 12.689 6.257 5.623 1.00 0.00 H new ATOM 0 HD1 TYR A 644 12.568 2.596 5.227 1.00 0.00 H new ATOM 0 HD2 TYR A 644 12.337 6.394 3.221 1.00 0.00 H new ATOM 0 HE1 TYR A 644 11.879 1.434 3.140 1.00 0.00 H new ATOM 0 HE2 TYR A 644 11.583 5.256 1.142 1.00 0.00 H new ATOM 0 HH TYR A 644 11.254 3.295 0.125 1.00 0.00 H new ATOM 2143 N ASN A 645 15.132 7.366 4.644 1.00 0.00 N ATOM 2144 CA ASN A 645 15.709 8.276 3.655 1.00 0.00 C ATOM 2145 C ASN A 645 17.216 8.135 3.568 1.00 0.00 C ATOM 2146 O ASN A 645 17.751 8.190 2.463 1.00 0.00 O ATOM 2147 CB ASN A 645 15.394 9.734 3.996 1.00 0.00 C ATOM 2148 CG ASN A 645 14.157 10.199 3.275 1.00 0.00 C ATOM 2149 OD1 ASN A 645 14.230 10.745 2.179 1.00 0.00 O ATOM 2150 ND2 ASN A 645 12.992 9.890 3.798 1.00 0.00 N ATOM 0 H ASN A 645 14.639 7.847 5.396 1.00 0.00 H new ATOM 0 HA ASN A 645 15.262 8.006 2.698 1.00 0.00 H new ATOM 0 HB2 ASN A 645 15.253 9.838 5.072 1.00 0.00 H new ATOM 0 HB3 ASN A 645 16.239 10.366 3.722 1.00 0.00 H new ATOM 0 HD21 ASN A 645 12.133 10.104 3.292 1.00 0.00 H new ATOM 0 HD22 ASN A 645 12.947 9.436 4.710 1.00 0.00 H new ATOM 2157 N GLY A 646 17.870 7.934 4.710 1.00 0.00 N ATOM 2158 CA GLY A 646 19.275 7.609 4.813 1.00 0.00 C ATOM 2159 C GLY A 646 19.628 6.503 3.834 1.00 0.00 C ATOM 2160 O GLY A 646 20.506 6.680 2.997 1.00 0.00 O ATOM 0 H GLY A 646 17.411 7.997 5.619 1.00 0.00 H new ATOM 0 HA2 GLY A 646 19.877 8.494 4.606 1.00 0.00 H new ATOM 0 HA3 GLY A 646 19.510 7.294 5.830 1.00 0.00 H new ATOM 2164 N TYR A 647 18.929 5.370 3.875 1.00 0.00 N ATOM 2165 CA TYR A 647 19.213 4.245 2.987 1.00 0.00 C ATOM 2166 C TYR A 647 18.796 4.511 1.549 1.00 0.00 C ATOM 2167 O TYR A 647 19.324 3.852 0.650 1.00 0.00 O ATOM 2168 CB TYR A 647 18.447 3.006 3.475 1.00 0.00 C ATOM 2169 CG TYR A 647 18.461 2.707 4.968 1.00 0.00 C ATOM 2170 CD1 TYR A 647 19.630 2.857 5.740 1.00 0.00 C ATOM 2171 CD2 TYR A 647 17.285 2.242 5.585 1.00 0.00 C ATOM 2172 CE1 TYR A 647 19.626 2.539 7.110 1.00 0.00 C ATOM 2173 CE2 TYR A 647 17.269 1.946 6.956 1.00 0.00 C ATOM 2174 CZ TYR A 647 18.446 2.076 7.729 1.00 0.00 C ATOM 2175 OH TYR A 647 18.467 1.693 9.039 1.00 0.00 O ATOM 0 H TYR A 647 18.156 5.207 4.520 1.00 0.00 H new ATOM 0 HA TYR A 647 20.292 4.091 3.010 1.00 0.00 H new ATOM 0 HB2 TYR A 647 17.408 3.110 3.164 1.00 0.00 H new ATOM 0 HB3 TYR A 647 18.850 2.137 2.955 1.00 0.00 H new ATOM 0 HD1 TYR A 647 20.536 3.219 5.276 1.00 0.00 H new ATOM 0 HD2 TYR A 647 16.388 2.112 4.998 1.00 0.00 H new ATOM 0 HE1 TYR A 647 20.530 2.650 7.690 1.00 0.00 H new ATOM 0 HE2 TYR A 647 16.353 1.617 7.424 1.00 0.00 H new ATOM 0 HH TYR A 647 17.571 1.402 9.309 1.00 0.00 H new ATOM 2185 N LEU A 648 17.863 5.435 1.305 1.00 0.00 N ATOM 2186 CA LEU A 648 17.534 5.806 -0.057 1.00 0.00 C ATOM 2187 C LEU A 648 18.738 6.503 -0.669 1.00 0.00 C ATOM 2188 O LEU A 648 19.192 6.059 -1.716 1.00 0.00 O ATOM 2189 CB LEU A 648 16.256 6.648 -0.176 1.00 0.00 C ATOM 2190 CG LEU A 648 14.899 5.942 0.015 1.00 0.00 C ATOM 2191 CD1 LEU A 648 14.100 5.860 -1.292 1.00 0.00 C ATOM 2192 CD2 LEU A 648 14.970 4.501 0.502 1.00 0.00 C ATOM 0 H LEU A 648 17.335 5.928 2.025 1.00 0.00 H new ATOM 0 HA LEU A 648 17.308 4.896 -0.613 1.00 0.00 H new ATOM 0 HB2 LEU A 648 16.318 7.453 0.556 1.00 0.00 H new ATOM 0 HB3 LEU A 648 16.254 7.113 -1.162 1.00 0.00 H new ATOM 0 HG LEU A 648 14.430 6.568 0.773 1.00 0.00 H new ATOM 0 HD11 LEU A 648 13.152 5.355 -1.108 1.00 0.00 H new ATOM 0 HD12 LEU A 648 13.909 6.866 -1.665 1.00 0.00 H new ATOM 0 HD13 LEU A 648 14.671 5.301 -2.033 1.00 0.00 H new ATOM 0 HD21 LEU A 648 13.961 4.101 0.602 1.00 0.00 H new ATOM 0 HD22 LEU A 648 15.529 3.901 -0.216 1.00 0.00 H new ATOM 0 HD23 LEU A 648 15.471 4.468 1.469 1.00 0.00 H new ATOM 2204 N THR A 649 19.256 7.544 -0.018 1.00 0.00 N ATOM 2205 CA THR A 649 20.261 8.412 -0.636 1.00 0.00 C ATOM 2206 C THR A 649 21.708 8.102 -0.189 1.00 0.00 C ATOM 2207 O THR A 649 22.643 8.774 -0.625 1.00 0.00 O ATOM 2208 CB THR A 649 19.852 9.891 -0.464 1.00 0.00 C ATOM 2209 OG1 THR A 649 18.441 10.087 -0.486 1.00 0.00 O ATOM 2210 CG2 THR A 649 20.403 10.757 -1.602 1.00 0.00 C ATOM 0 H THR A 649 18.999 7.807 0.933 1.00 0.00 H new ATOM 0 HA THR A 649 20.280 8.198 -1.705 1.00 0.00 H new ATOM 0 HB THR A 649 20.260 10.176 0.506 1.00 0.00 H new ATOM 0 HG1 THR A 649 18.241 11.040 -0.371 1.00 0.00 H new ATOM 0 HG21 THR A 649 20.098 11.793 -1.452 1.00 0.00 H new ATOM 0 HG22 THR A 649 21.491 10.697 -1.611 1.00 0.00 H new ATOM 0 HG23 THR A 649 20.012 10.398 -2.554 1.00 0.00 H new