USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 512 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 74 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 31 TYR OH : rot 30:sc= 0.0143 USER MOD Set 2.2: A 38 GLN : amide:sc= 0.0126 X(o=0.027,f=0.096) USER MOD Single : A 30 GLN : amide:sc= -1.32 K(o=-1.3,f=-3.1!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.694 K(o=-0.69,f=-1.5) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 173:sc= 0 (180deg=-0.0404) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0.49 K(o=0.49,f=-4.8!) USER MOD Single : A 46 MET CE :methyl -142:sc= -0.0107 (180deg=-0.732) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -131:sc= -1.29! (180deg=-2.87!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0403) USER MOD Single : A 59 THR OG1 : rot -169:sc= 0.271 USER MOD Single : A 62 GLN : amide:sc= -0.181 K(o=-0.18,f=-2.6!) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 ASN : amide:sc= -0.271 X(o=-0.27,f=-0.29) USER MOD Single : A 66 GLN : amide:sc= -2.58! X(o=-2.6!,f=-2.5) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -2.64! C(o=-2.6!,f=-4.1!) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.126 USER MOD Single : A 81 GLN : amide:sc= -0.0484 K(o=-0.048,f=-1.4) USER MOD Single : A 83 GLN : amide:sc= -3.05! C(o=-3!,f=-6.8!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.936 K(o=-0.94,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 397 N GLU A 28 7.197 7.817 3.293 1.00 0.00 N ATOM 398 CA GLU A 28 6.070 8.672 3.644 1.00 0.00 C ATOM 399 C GLU A 28 5.136 8.859 2.451 1.00 0.00 C ATOM 400 O GLU A 28 5.547 9.345 1.398 1.00 0.00 O ATOM 401 CB GLU A 28 6.567 10.034 4.133 1.00 0.00 C ATOM 402 CG GLU A 28 5.506 10.846 4.856 1.00 0.00 C ATOM 403 CD GLU A 28 5.453 10.546 6.342 1.00 0.00 C ATOM 404 OE1 GLU A 28 6.344 11.022 7.075 1.00 0.00 O ATOM 405 OE2 GLU A 28 4.520 9.834 6.771 1.00 0.00 O ATOM 0 HA GLU A 28 5.515 8.186 4.446 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.415 9.883 4.801 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.931 10.606 3.280 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.705 11.908 4.710 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.532 10.640 4.413 1.00 0.00 H new ATOM 412 N TRP A 29 3.879 8.468 2.625 1.00 0.00 N ATOM 413 CA TRP A 29 2.886 8.591 1.564 1.00 0.00 C ATOM 414 C TRP A 29 1.788 9.574 1.956 1.00 0.00 C ATOM 415 O TRP A 29 1.089 9.371 2.949 1.00 0.00 O ATOM 416 CB TRP A 29 2.276 7.225 1.247 1.00 0.00 C ATOM 417 CG TRP A 29 3.183 6.341 0.446 1.00 0.00 C ATOM 418 CD1 TRP A 29 4.249 5.625 0.910 1.00 0.00 C ATOM 419 CD2 TRP A 29 3.103 6.081 -0.960 1.00 0.00 C ATOM 420 NE1 TRP A 29 4.837 4.935 -0.123 1.00 0.00 N ATOM 421 CE2 TRP A 29 4.153 5.197 -1.280 1.00 0.00 C ATOM 422 CE3 TRP A 29 2.247 6.507 -1.979 1.00 0.00 C ATOM 423 CZ2 TRP A 29 4.367 4.735 -2.576 1.00 0.00 C ATOM 424 CZ3 TRP A 29 2.461 6.047 -3.264 1.00 0.00 C ATOM 425 CH2 TRP A 29 3.513 5.168 -3.554 1.00 0.00 C ATOM 0 H TRP A 29 3.523 8.063 3.491 1.00 0.00 H new ATOM 0 HA TRP A 29 3.387 8.972 0.674 1.00 0.00 H new ATOM 0 HB2 TRP A 29 2.023 6.723 2.181 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.345 7.369 0.700 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.581 5.604 1.937 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.651 4.326 -0.041 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.433 7.184 -1.766 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.178 4.059 -2.802 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.806 6.371 -4.059 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.653 4.826 -4.569 1.00 0.00 H new ATOM 436 N GLN A 30 1.643 10.637 1.172 1.00 0.00 N ATOM 437 CA GLN A 30 0.629 11.650 1.439 1.00 0.00 C ATOM 438 C GLN A 30 -0.262 11.863 0.221 1.00 0.00 C ATOM 439 O GLN A 30 0.166 11.664 -0.917 1.00 0.00 O ATOM 440 CB GLN A 30 1.291 12.970 1.839 1.00 0.00 C ATOM 441 CG GLN A 30 2.258 12.837 3.005 1.00 0.00 C ATOM 442 CD GLN A 30 2.638 14.177 3.603 1.00 0.00 C ATOM 443 OE1 GLN A 30 1.789 14.902 4.122 1.00 0.00 O ATOM 444 NE2 GLN A 30 3.921 14.514 3.534 1.00 0.00 N ATOM 0 H GLN A 30 2.215 10.819 0.347 1.00 0.00 H new ATOM 0 HA GLN A 30 0.008 11.298 2.263 1.00 0.00 H new ATOM 0 HB2 GLN A 30 1.825 13.374 0.979 1.00 0.00 H new ATOM 0 HB3 GLN A 30 0.516 13.691 2.101 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.807 12.214 3.777 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.159 12.325 2.668 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.591 13.883 3.095 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.236 15.404 3.920 1.00 0.00 H new ATOM 453 N TYR A 31 -1.503 12.269 0.466 1.00 0.00 N ATOM 454 CA TYR A 31 -2.457 12.506 -0.612 1.00 0.00 C ATOM 455 C TYR A 31 -2.920 13.960 -0.618 1.00 0.00 C ATOM 456 O TYR A 31 -3.174 14.547 0.434 1.00 0.00 O ATOM 457 CB TYR A 31 -3.662 11.575 -0.469 1.00 0.00 C ATOM 458 CG TYR A 31 -4.509 11.864 0.749 1.00 0.00 C ATOM 459 CD1 TYR A 31 -4.087 11.485 2.018 1.00 0.00 C ATOM 460 CD2 TYR A 31 -5.731 12.514 0.632 1.00 0.00 C ATOM 461 CE1 TYR A 31 -4.858 11.746 3.134 1.00 0.00 C ATOM 462 CE2 TYR A 31 -6.508 12.780 1.743 1.00 0.00 C ATOM 463 CZ TYR A 31 -6.067 12.394 2.992 1.00 0.00 C ATOM 464 OH TYR A 31 -6.839 12.656 4.101 1.00 0.00 O ATOM 0 H TYR A 31 -1.872 12.441 1.401 1.00 0.00 H new ATOM 0 HA TYR A 31 -1.957 12.298 -1.558 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -4.283 11.658 -1.361 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.311 10.544 -0.421 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -3.140 10.978 2.133 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -6.080 12.817 -0.344 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -4.516 11.444 4.113 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -7.455 13.287 1.634 1.00 0.00 H new ATOM 0 HH TYR A 31 -6.259 12.778 4.882 1.00 0.00 H new ATOM 474 N ILE A 32 -3.030 14.533 -1.812 1.00 0.00 N ATOM 475 CA ILE A 32 -3.465 15.917 -1.957 1.00 0.00 C ATOM 476 C ILE A 32 -4.975 16.001 -2.153 1.00 0.00 C ATOM 477 O ILE A 32 -5.495 15.637 -3.208 1.00 0.00 O ATOM 478 CB ILE A 32 -2.765 16.606 -3.143 1.00 0.00 C ATOM 479 CG1 ILE A 32 -1.338 17.002 -2.762 1.00 0.00 C ATOM 480 CG2 ILE A 32 -3.558 17.825 -3.590 1.00 0.00 C ATOM 481 CD1 ILE A 32 -0.309 15.941 -3.084 1.00 0.00 C ATOM 0 H ILE A 32 -2.824 14.061 -2.692 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.192 16.432 -1.036 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.716 15.903 -3.975 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.074 17.922 -3.283 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.303 17.218 -1.694 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.051 18.301 -4.429 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.557 17.516 -3.898 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.635 18.532 -2.764 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.680 16.291 -2.787 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.548 15.026 -2.542 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.316 15.741 -4.155 1.00 0.00 H new ATOM 493 N ASP A 33 -5.673 16.485 -1.131 1.00 0.00 N ATOM 494 CA ASP A 33 -7.123 16.620 -1.192 1.00 0.00 C ATOM 495 C ASP A 33 -7.523 17.789 -2.086 1.00 0.00 C ATOM 496 O ASP A 33 -6.688 18.611 -2.462 1.00 0.00 O ATOM 497 CB ASP A 33 -7.698 16.816 0.212 1.00 0.00 C ATOM 498 CG ASP A 33 -9.211 16.899 0.212 1.00 0.00 C ATOM 499 OD1 ASP A 33 -9.846 16.176 -0.585 1.00 0.00 O ATOM 500 OD2 ASP A 33 -9.762 17.686 1.009 1.00 0.00 O ATOM 0 H ASP A 33 -5.258 16.790 -0.251 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.531 15.704 -1.619 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.383 15.990 0.849 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.287 17.728 0.646 1.00 0.00 H new ATOM 505 N LYS A 34 -8.806 17.856 -2.425 1.00 0.00 N ATOM 506 CA LYS A 34 -9.319 18.924 -3.275 1.00 0.00 C ATOM 507 C LYS A 34 -8.511 20.205 -3.086 1.00 0.00 C ATOM 508 O LYS A 34 -7.757 20.609 -3.969 1.00 0.00 O ATOM 509 CB LYS A 34 -10.794 19.189 -2.964 1.00 0.00 C ATOM 510 CG LYS A 34 -11.682 17.970 -3.149 1.00 0.00 C ATOM 511 CD LYS A 34 -12.267 17.915 -4.550 1.00 0.00 C ATOM 512 CE LYS A 34 -13.439 18.871 -4.704 1.00 0.00 C ATOM 513 NZ LYS A 34 -13.928 18.929 -6.109 1.00 0.00 N ATOM 0 H LYS A 34 -9.510 17.182 -2.124 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.225 18.605 -4.313 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.883 19.540 -1.936 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.154 19.992 -3.607 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.104 17.065 -2.959 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -12.489 17.992 -2.417 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.495 18.165 -5.278 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.594 16.899 -4.769 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -14.252 18.557 -4.049 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.138 19.868 -4.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -14.727 19.592 -6.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.160 19.253 -6.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.239 17.983 -6.408 1.00 0.00 H new ATOM 527 N ASN A 35 -8.675 20.837 -1.929 1.00 0.00 N ATOM 528 CA ASN A 35 -7.960 22.071 -1.624 1.00 0.00 C ATOM 529 C ASN A 35 -7.141 21.924 -0.346 1.00 0.00 C ATOM 530 O ASN A 35 -6.728 22.916 0.256 1.00 0.00 O ATOM 531 CB ASN A 35 -8.945 23.234 -1.481 1.00 0.00 C ATOM 532 CG ASN A 35 -8.244 24.563 -1.279 1.00 0.00 C ATOM 533 OD1 ASN A 35 -7.136 24.774 -1.771 1.00 0.00 O ATOM 534 ND2 ASN A 35 -8.891 25.468 -0.553 1.00 0.00 N ATOM 0 H ASN A 35 -9.297 20.515 -1.187 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.279 22.280 -2.449 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.571 23.288 -2.372 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.608 23.044 -0.637 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.470 26.382 -0.384 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.808 25.249 -0.165 1.00 0.00 H new ATOM 541 N ILE A 36 -6.909 20.681 0.062 1.00 0.00 N ATOM 542 CA ILE A 36 -6.138 20.405 1.268 1.00 0.00 C ATOM 543 C ILE A 36 -5.079 19.339 1.010 1.00 0.00 C ATOM 544 O ILE A 36 -5.226 18.503 0.118 1.00 0.00 O ATOM 545 CB ILE A 36 -7.046 19.942 2.423 1.00 0.00 C ATOM 546 CG1 ILE A 36 -8.178 20.947 2.646 1.00 0.00 C ATOM 547 CG2 ILE A 36 -6.232 19.761 3.696 1.00 0.00 C ATOM 548 CD1 ILE A 36 -9.379 20.711 1.758 1.00 0.00 C ATOM 0 H ILE A 36 -7.244 19.849 -0.425 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.650 21.338 1.552 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.487 18.981 2.157 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.493 20.902 3.689 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.799 21.954 2.471 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.887 19.434 4.503 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.459 19.011 3.530 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.767 20.708 3.968 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.142 21.460 1.971 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.079 20.785 0.713 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.783 19.717 1.950 1.00 0.00 H new ATOM 560 N THR A 37 -4.009 19.372 1.799 1.00 0.00 N ATOM 561 CA THR A 37 -2.925 18.409 1.658 1.00 0.00 C ATOM 562 C THR A 37 -2.715 17.623 2.947 1.00 0.00 C ATOM 563 O THR A 37 -2.054 18.095 3.871 1.00 0.00 O ATOM 564 CB THR A 37 -1.604 19.102 1.272 1.00 0.00 C ATOM 565 OG1 THR A 37 -1.828 20.016 0.193 1.00 0.00 O ATOM 566 CG2 THR A 37 -0.554 18.079 0.868 1.00 0.00 C ATOM 0 H THR A 37 -3.871 20.056 2.543 1.00 0.00 H new ATOM 0 HA THR A 37 -3.214 17.724 0.861 1.00 0.00 H new ATOM 0 HB THR A 37 -1.239 19.649 2.141 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.984 20.454 -0.045 1.00 0.00 H new ATOM 0 HG21 THR A 37 0.370 18.592 0.600 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.365 17.403 1.702 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.913 17.507 0.012 1.00 0.00 H new ATOM 574 N GLN A 38 -3.283 16.422 3.002 1.00 0.00 N ATOM 575 CA GLN A 38 -3.157 15.572 4.180 1.00 0.00 C ATOM 576 C GLN A 38 -2.304 14.344 3.876 1.00 0.00 C ATOM 577 O GLN A 38 -1.862 14.148 2.743 1.00 0.00 O ATOM 578 CB GLN A 38 -4.539 15.138 4.671 1.00 0.00 C ATOM 579 CG GLN A 38 -5.416 16.295 5.121 1.00 0.00 C ATOM 580 CD GLN A 38 -6.400 15.896 6.203 1.00 0.00 C ATOM 581 OE1 GLN A 38 -6.273 16.308 7.357 1.00 0.00 O ATOM 582 NE2 GLN A 38 -7.389 15.089 5.835 1.00 0.00 N ATOM 0 H GLN A 38 -3.834 16.016 2.246 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.665 16.149 4.963 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.046 14.598 3.872 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.418 14.441 5.500 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.784 17.103 5.490 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.964 16.686 4.263 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.456 14.772 4.868 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -8.082 14.786 6.520 1.00 0.00 H new ATOM 591 N CYS A 39 -2.076 13.522 4.894 1.00 0.00 N ATOM 592 CA CYS A 39 -1.274 12.314 4.737 1.00 0.00 C ATOM 593 C CYS A 39 -2.026 11.091 5.252 1.00 0.00 C ATOM 594 O CYS A 39 -2.906 11.205 6.106 1.00 0.00 O ATOM 595 CB CYS A 39 0.056 12.459 5.478 1.00 0.00 C ATOM 596 SG CYS A 39 -0.112 12.633 7.269 1.00 0.00 S ATOM 0 H CYS A 39 -2.435 13.670 5.837 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.076 12.175 3.674 1.00 0.00 H new ATOM 0 HB2 CYS A 39 0.675 11.588 5.265 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.584 13.329 5.087 1.00 0.00 H new ATOM 0 HG CYS A 39 1.066 12.747 7.806 1.00 0.00 H new ATOM 602 N PHE A 40 -1.676 9.923 4.725 1.00 0.00 N ATOM 603 CA PHE A 40 -2.320 8.678 5.130 1.00 0.00 C ATOM 604 C PHE A 40 -1.888 8.275 6.536 1.00 0.00 C ATOM 605 O PHE A 40 -0.929 8.820 7.083 1.00 0.00 O ATOM 606 CB PHE A 40 -1.984 7.560 4.140 1.00 0.00 C ATOM 607 CG PHE A 40 -2.551 7.785 2.767 1.00 0.00 C ATOM 608 CD1 PHE A 40 -3.858 7.430 2.476 1.00 0.00 C ATOM 609 CD2 PHE A 40 -1.776 8.351 1.768 1.00 0.00 C ATOM 610 CE1 PHE A 40 -4.381 7.635 1.214 1.00 0.00 C ATOM 611 CE2 PHE A 40 -2.294 8.559 0.503 1.00 0.00 C ATOM 612 CZ PHE A 40 -3.599 8.201 0.226 1.00 0.00 C ATOM 0 H PHE A 40 -0.950 9.812 4.017 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.398 8.839 5.133 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.901 7.465 4.066 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -2.361 6.615 4.530 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.475 6.988 3.244 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.755 8.633 1.980 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -5.401 7.353 1.000 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.679 9.001 -0.267 1.00 0.00 H new ATOM 0 HZ PHE A 40 -4.007 8.363 -0.761 1.00 0.00 H new ATOM 622 N ASP A 41 -2.603 7.316 7.116 1.00 0.00 N ATOM 623 CA ASP A 41 -2.294 6.838 8.459 1.00 0.00 C ATOM 624 C ASP A 41 -1.042 5.967 8.451 1.00 0.00 C ATOM 625 O ASP A 41 -0.445 5.728 7.401 1.00 0.00 O ATOM 626 CB ASP A 41 -3.475 6.050 9.026 1.00 0.00 C ATOM 627 CG ASP A 41 -3.463 5.999 10.542 1.00 0.00 C ATOM 628 OD1 ASP A 41 -3.880 6.993 11.172 1.00 0.00 O ATOM 629 OD2 ASP A 41 -3.035 4.966 11.097 1.00 0.00 O ATOM 0 H ASP A 41 -3.400 6.855 6.677 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.107 7.705 9.093 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.407 6.504 8.688 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.454 5.034 8.631 1.00 0.00 H new ATOM 634 N LYS A 42 -0.648 5.496 9.629 1.00 0.00 N ATOM 635 CA LYS A 42 0.533 4.651 9.759 1.00 0.00 C ATOM 636 C LYS A 42 0.292 3.279 9.139 1.00 0.00 C ATOM 637 O LYS A 42 1.211 2.658 8.607 1.00 0.00 O ATOM 638 CB LYS A 42 0.915 4.496 11.233 1.00 0.00 C ATOM 639 CG LYS A 42 -0.116 3.737 12.052 1.00 0.00 C ATOM 640 CD LYS A 42 0.307 3.615 13.506 1.00 0.00 C ATOM 641 CE LYS A 42 -0.514 2.564 14.238 1.00 0.00 C ATOM 642 NZ LYS A 42 -0.595 2.843 15.699 1.00 0.00 N ATOM 0 H LYS A 42 -1.130 5.685 10.508 1.00 0.00 H new ATOM 0 HA LYS A 42 1.353 5.132 9.226 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.872 3.978 11.299 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.057 5.485 11.669 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.077 4.248 11.993 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.258 2.743 11.629 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.364 3.354 13.558 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.192 4.579 14.002 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.519 2.531 13.818 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.070 1.581 14.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.162 2.105 16.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.363 2.849 16.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -1.042 3.770 15.851 1.00 0.00 H new ATOM 656 N MET A 43 -0.951 2.813 9.210 1.00 0.00 N ATOM 657 CA MET A 43 -1.312 1.515 8.652 1.00 0.00 C ATOM 658 C MET A 43 -1.458 1.596 7.135 1.00 0.00 C ATOM 659 O MET A 43 -0.982 0.724 6.408 1.00 0.00 O ATOM 660 CB MET A 43 -2.617 1.014 9.275 1.00 0.00 C ATOM 661 CG MET A 43 -2.451 0.488 10.691 1.00 0.00 C ATOM 662 SD MET A 43 -3.967 0.612 11.660 1.00 0.00 S ATOM 663 CE MET A 43 -5.061 -0.444 10.713 1.00 0.00 C ATOM 0 H MET A 43 -1.724 3.314 9.648 1.00 0.00 H new ATOM 0 HA MET A 43 -0.512 0.812 8.885 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.343 1.827 9.281 1.00 0.00 H new ATOM 0 HB3 MET A 43 -3.029 0.223 8.648 1.00 0.00 H new ATOM 0 HG2 MET A 43 -2.133 -0.554 10.653 1.00 0.00 H new ATOM 0 HG3 MET A 43 -1.658 1.045 11.191 1.00 0.00 H new ATOM 0 HE1 MET A 43 -6.001 -0.570 11.251 1.00 0.00 H new ATOM 0 HE2 MET A 43 -5.257 0.012 9.742 1.00 0.00 H new ATOM 0 HE3 MET A 43 -4.592 -1.417 10.569 1.00 0.00 H new ATOM 673 N THR A 44 -2.119 2.649 6.664 1.00 0.00 N ATOM 674 CA THR A 44 -2.328 2.843 5.235 1.00 0.00 C ATOM 675 C THR A 44 -1.038 3.269 4.543 1.00 0.00 C ATOM 676 O THR A 44 -0.763 2.859 3.417 1.00 0.00 O ATOM 677 CB THR A 44 -3.416 3.900 4.965 1.00 0.00 C ATOM 678 OG1 THR A 44 -4.667 3.466 5.510 1.00 0.00 O ATOM 679 CG2 THR A 44 -3.567 4.152 3.472 1.00 0.00 C ATOM 0 H THR A 44 -2.519 3.380 7.252 1.00 0.00 H new ATOM 0 HA THR A 44 -2.654 1.885 4.830 1.00 0.00 H new ATOM 0 HB THR A 44 -3.115 4.831 5.446 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.353 4.144 5.336 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.341 4.902 3.306 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.621 4.511 3.066 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.848 3.224 2.973 1.00 0.00 H new ATOM 687 N ASN A 45 -0.251 4.094 5.226 1.00 0.00 N ATOM 688 CA ASN A 45 1.011 4.576 4.676 1.00 0.00 C ATOM 689 C ASN A 45 1.765 3.449 3.977 1.00 0.00 C ATOM 690 O ASN A 45 2.283 3.626 2.875 1.00 0.00 O ATOM 691 CB ASN A 45 1.879 5.173 5.785 1.00 0.00 C ATOM 692 CG ASN A 45 3.249 5.592 5.286 1.00 0.00 C ATOM 693 OD1 ASN A 45 3.370 6.249 4.252 1.00 0.00 O ATOM 694 ND2 ASN A 45 4.288 5.211 6.020 1.00 0.00 N ATOM 0 H ASN A 45 -0.465 4.443 6.161 1.00 0.00 H new ATOM 0 HA ASN A 45 0.787 5.350 3.942 1.00 0.00 H new ATOM 0 HB2 ASN A 45 1.372 6.037 6.214 1.00 0.00 H new ATOM 0 HB3 ASN A 45 1.995 4.442 6.585 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.234 5.462 5.734 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.140 4.667 6.870 1.00 0.00 H new ATOM 701 N MET A 46 1.821 2.290 4.625 1.00 0.00 N ATOM 702 CA MET A 46 2.510 1.133 4.064 1.00 0.00 C ATOM 703 C MET A 46 1.669 0.477 2.973 1.00 0.00 C ATOM 704 O MET A 46 2.201 -0.022 1.981 1.00 0.00 O ATOM 705 CB MET A 46 2.824 0.117 5.163 1.00 0.00 C ATOM 706 CG MET A 46 1.722 -0.909 5.375 1.00 0.00 C ATOM 707 SD MET A 46 2.060 -2.016 6.758 1.00 0.00 S ATOM 708 CE MET A 46 1.542 -1.000 8.139 1.00 0.00 C ATOM 0 H MET A 46 1.398 2.127 5.539 1.00 0.00 H new ATOM 0 HA MET A 46 3.444 1.477 3.621 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.749 -0.402 4.913 1.00 0.00 H new ATOM 0 HB3 MET A 46 2.999 0.648 6.098 1.00 0.00 H new ATOM 0 HG2 MET A 46 0.779 -0.392 5.551 1.00 0.00 H new ATOM 0 HG3 MET A 46 1.599 -1.497 4.466 1.00 0.00 H new ATOM 0 HE1 MET A 46 2.222 -1.152 8.978 1.00 0.00 H new ATOM 0 HE2 MET A 46 1.558 0.049 7.845 1.00 0.00 H new ATOM 0 HE3 MET A 46 0.531 -1.278 8.436 1.00 0.00 H new ATOM 718 N LYS A 47 0.355 0.479 3.163 1.00 0.00 N ATOM 719 CA LYS A 47 -0.560 -0.115 2.196 1.00 0.00 C ATOM 720 C LYS A 47 -0.315 0.446 0.799 1.00 0.00 C ATOM 721 O LYS A 47 -0.700 -0.160 -0.202 1.00 0.00 O ATOM 722 CB LYS A 47 -2.011 0.139 2.611 1.00 0.00 C ATOM 723 CG LYS A 47 -2.466 -0.714 3.783 1.00 0.00 C ATOM 724 CD LYS A 47 -3.971 -0.632 3.981 1.00 0.00 C ATOM 725 CE LYS A 47 -4.399 -1.300 5.278 1.00 0.00 C ATOM 726 NZ LYS A 47 -4.360 -2.786 5.177 1.00 0.00 N ATOM 0 H LYS A 47 -0.101 0.886 3.979 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.378 -1.189 2.175 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.127 1.191 2.871 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.663 -0.052 1.759 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.176 -1.751 3.614 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.960 -0.386 4.691 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.282 0.413 3.989 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.476 -1.109 3.141 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.745 -0.974 6.087 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.409 -0.980 5.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.659 -3.203 6.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.003 -3.100 4.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.391 -3.094 4.957 1.00 0.00 H new ATOM 740 N LEU A 48 0.329 1.606 0.738 1.00 0.00 N ATOM 741 CA LEU A 48 0.628 2.249 -0.538 1.00 0.00 C ATOM 742 C LEU A 48 2.042 1.912 -0.999 1.00 0.00 C ATOM 743 O LEU A 48 2.238 1.383 -2.093 1.00 0.00 O ATOM 744 CB LEU A 48 0.467 3.765 -0.417 1.00 0.00 C ATOM 745 CG LEU A 48 -0.948 4.269 -0.126 1.00 0.00 C ATOM 746 CD1 LEU A 48 -0.928 5.752 0.209 1.00 0.00 C ATOM 747 CD2 LEU A 48 -1.864 4.000 -1.311 1.00 0.00 C ATOM 0 H LEU A 48 0.654 2.121 1.556 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.076 1.873 -1.280 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.127 4.118 0.375 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.810 4.222 -1.345 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.336 3.728 0.737 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.943 6.093 0.413 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.306 5.918 1.089 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.521 6.310 -0.634 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.866 4.365 -1.086 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.480 4.514 -2.192 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.903 2.928 -1.505 1.00 0.00 H new ATOM 759 N GLU A 49 3.024 2.220 -0.158 1.00 0.00 N ATOM 760 CA GLU A 49 4.419 1.948 -0.480 1.00 0.00 C ATOM 761 C GLU A 49 4.598 0.509 -0.954 1.00 0.00 C ATOM 762 O GLU A 49 5.279 0.250 -1.946 1.00 0.00 O ATOM 763 CB GLU A 49 5.308 2.210 0.738 1.00 0.00 C ATOM 764 CG GLU A 49 5.494 0.992 1.628 1.00 0.00 C ATOM 765 CD GLU A 49 6.435 1.256 2.787 1.00 0.00 C ATOM 766 OE1 GLU A 49 7.663 1.134 2.593 1.00 0.00 O ATOM 767 OE2 GLU A 49 5.945 1.583 3.888 1.00 0.00 O ATOM 0 H GLU A 49 2.879 2.658 0.752 1.00 0.00 H new ATOM 0 HA GLU A 49 4.715 2.618 -1.288 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.285 2.553 0.397 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.874 3.018 1.327 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.525 0.678 2.016 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.881 0.166 1.031 1.00 0.00 H new ATOM 774 N VAL A 50 3.981 -0.425 -0.236 1.00 0.00 N ATOM 775 CA VAL A 50 4.070 -1.838 -0.582 1.00 0.00 C ATOM 776 C VAL A 50 3.668 -2.075 -2.033 1.00 0.00 C ATOM 777 O VAL A 50 4.275 -2.886 -2.732 1.00 0.00 O ATOM 778 CB VAL A 50 3.179 -2.698 0.333 1.00 0.00 C ATOM 779 CG1 VAL A 50 3.703 -2.679 1.761 1.00 0.00 C ATOM 780 CG2 VAL A 50 1.737 -2.214 0.280 1.00 0.00 C ATOM 0 H VAL A 50 3.414 -0.228 0.589 1.00 0.00 H new ATOM 0 HA VAL A 50 5.110 -2.132 -0.443 1.00 0.00 H new ATOM 0 HB VAL A 50 3.207 -3.727 -0.025 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.060 -3.292 2.393 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.718 -3.076 1.782 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.707 -1.655 2.134 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.121 -2.833 0.932 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.689 -1.177 0.612 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.367 -2.285 -0.743 1.00 0.00 H new ATOM 790 N ALA A 51 2.640 -1.362 -2.480 1.00 0.00 N ATOM 791 CA ALA A 51 2.157 -1.493 -3.850 1.00 0.00 C ATOM 792 C ALA A 51 3.150 -0.896 -4.841 1.00 0.00 C ATOM 793 O ALA A 51 3.294 -1.387 -5.961 1.00 0.00 O ATOM 794 CB ALA A 51 0.797 -0.826 -3.996 1.00 0.00 C ATOM 0 H ALA A 51 2.125 -0.688 -1.914 1.00 0.00 H new ATOM 0 HA ALA A 51 2.055 -2.555 -4.073 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.449 -0.931 -5.023 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.085 -1.300 -3.321 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.882 0.232 -3.749 1.00 0.00 H new ATOM 800 N TRP A 52 3.832 0.164 -4.423 1.00 0.00 N ATOM 801 CA TRP A 52 4.812 0.828 -5.275 1.00 0.00 C ATOM 802 C TRP A 52 6.078 -0.012 -5.405 1.00 0.00 C ATOM 803 O TRP A 52 6.706 -0.046 -6.463 1.00 0.00 O ATOM 804 CB TRP A 52 5.155 2.208 -4.713 1.00 0.00 C ATOM 805 CG TRP A 52 6.107 2.981 -5.576 1.00 0.00 C ATOM 806 CD1 TRP A 52 5.819 4.081 -6.332 1.00 0.00 C ATOM 807 CD2 TRP A 52 7.499 2.709 -5.772 1.00 0.00 C ATOM 808 NE1 TRP A 52 6.949 4.510 -6.986 1.00 0.00 N ATOM 809 CE2 TRP A 52 7.993 3.686 -6.659 1.00 0.00 C ATOM 810 CE3 TRP A 52 8.377 1.738 -5.283 1.00 0.00 C ATOM 811 CZ2 TRP A 52 9.324 3.716 -7.066 1.00 0.00 C ATOM 812 CZ3 TRP A 52 9.697 1.769 -5.688 1.00 0.00 C ATOM 813 CH2 TRP A 52 10.161 2.753 -6.572 1.00 0.00 C ATOM 0 H TRP A 52 3.724 0.582 -3.499 1.00 0.00 H new ATOM 0 HA TRP A 52 4.374 0.946 -6.266 1.00 0.00 H new ATOM 0 HB2 TRP A 52 4.236 2.782 -4.593 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.589 2.090 -3.720 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.847 4.545 -6.405 1.00 0.00 H new ATOM 0 HE1 TRP A 52 7.002 5.312 -7.614 1.00 0.00 H new ATOM 0 HE3 TRP A 52 8.029 0.977 -4.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 9.683 4.473 -7.748 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 10.384 1.022 -5.317 1.00 0.00 H new ATOM 0 HH2 TRP A 52 11.199 2.751 -6.869 1.00 0.00 H new ATOM 824 N LYS A 53 6.448 -0.688 -4.323 1.00 0.00 N ATOM 825 CA LYS A 53 7.638 -1.529 -4.316 1.00 0.00 C ATOM 826 C LYS A 53 7.378 -2.847 -5.039 1.00 0.00 C ATOM 827 O LYS A 53 8.245 -3.358 -5.748 1.00 0.00 O ATOM 828 CB LYS A 53 8.085 -1.804 -2.878 1.00 0.00 C ATOM 829 CG LYS A 53 8.643 -0.582 -2.170 1.00 0.00 C ATOM 830 CD LYS A 53 10.132 -0.421 -2.425 1.00 0.00 C ATOM 831 CE LYS A 53 10.906 -1.664 -2.013 1.00 0.00 C ATOM 832 NZ LYS A 53 11.109 -2.595 -3.158 1.00 0.00 N ATOM 0 H LYS A 53 5.940 -0.670 -3.439 1.00 0.00 H new ATOM 0 HA LYS A 53 8.431 -0.997 -4.842 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.237 -2.187 -2.310 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.843 -2.587 -2.886 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.116 0.309 -2.511 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.464 -0.668 -1.098 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.301 -0.220 -3.483 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.506 0.441 -1.873 1.00 0.00 H new ATOM 0 HE2 LYS A 53 11.874 -1.371 -1.607 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.369 -2.179 -1.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.838 -3.558 -2.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.521 -2.292 -3.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.110 -2.586 -3.440 1.00 0.00 H new ATOM 846 N ALA A 54 6.180 -3.390 -4.856 1.00 0.00 N ATOM 847 CA ALA A 54 5.805 -4.646 -5.495 1.00 0.00 C ATOM 848 C ALA A 54 5.543 -4.448 -6.984 1.00 0.00 C ATOM 849 O ALA A 54 5.138 -5.377 -7.682 1.00 0.00 O ATOM 850 CB ALA A 54 4.579 -5.238 -4.815 1.00 0.00 C ATOM 0 H ALA A 54 5.452 -2.981 -4.271 1.00 0.00 H new ATOM 0 HA ALA A 54 6.637 -5.342 -5.389 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.310 -6.175 -5.302 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.801 -5.425 -3.764 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.747 -4.538 -4.891 1.00 0.00 H new ATOM 856 N LYS A 55 5.775 -3.231 -7.464 1.00 0.00 N ATOM 857 CA LYS A 55 5.565 -2.910 -8.871 1.00 0.00 C ATOM 858 C LYS A 55 4.103 -3.102 -9.260 1.00 0.00 C ATOM 859 O LYS A 55 3.797 -3.537 -10.371 1.00 0.00 O ATOM 860 CB LYS A 55 6.458 -3.785 -9.754 1.00 0.00 C ATOM 861 CG LYS A 55 7.941 -3.500 -9.590 1.00 0.00 C ATOM 862 CD LYS A 55 8.784 -4.419 -10.458 1.00 0.00 C ATOM 863 CE LYS A 55 9.071 -5.738 -9.758 1.00 0.00 C ATOM 864 NZ LYS A 55 10.373 -6.322 -10.187 1.00 0.00 N ATOM 0 H LYS A 55 6.109 -2.450 -6.899 1.00 0.00 H new ATOM 0 HA LYS A 55 5.829 -1.863 -9.022 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.270 -4.833 -9.521 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.181 -3.636 -10.798 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.144 -2.462 -9.853 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.223 -3.625 -8.545 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.266 -4.610 -11.398 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.724 -3.926 -10.706 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.081 -5.582 -8.679 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.268 -6.444 -9.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.532 -7.220 -9.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.355 -6.495 -11.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.142 -5.659 -9.961 1.00 0.00 H new ATOM 878 N LYS A 56 3.202 -2.775 -8.339 1.00 0.00 N ATOM 879 CA LYS A 56 1.772 -2.908 -8.586 1.00 0.00 C ATOM 880 C LYS A 56 1.264 -1.775 -9.473 1.00 0.00 C ATOM 881 O LYS A 56 1.923 -0.745 -9.619 1.00 0.00 O ATOM 882 CB LYS A 56 1.003 -2.918 -7.263 1.00 0.00 C ATOM 883 CG LYS A 56 1.327 -4.110 -6.380 1.00 0.00 C ATOM 884 CD LYS A 56 0.423 -5.293 -6.687 1.00 0.00 C ATOM 885 CE LYS A 56 0.614 -6.417 -5.680 1.00 0.00 C ATOM 886 NZ LYS A 56 -0.351 -7.529 -5.900 1.00 0.00 N ATOM 0 H LYS A 56 3.438 -2.416 -7.414 1.00 0.00 H new ATOM 0 HA LYS A 56 1.605 -3.853 -9.103 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.225 -2.001 -6.717 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.066 -2.913 -7.474 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.368 -4.399 -6.525 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.217 -3.829 -5.333 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.618 -4.969 -6.679 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.634 -5.663 -7.691 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.632 -6.800 -5.752 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.492 -6.025 -4.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.188 -8.275 -5.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.322 -7.169 -5.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.218 -7.921 -6.854 1.00 0.00 H new ATOM 900 N LYS A 57 0.090 -1.971 -10.061 1.00 0.00 N ATOM 901 CA LYS A 57 -0.508 -0.965 -10.931 1.00 0.00 C ATOM 902 C LYS A 57 -1.351 0.019 -10.126 1.00 0.00 C ATOM 903 O LYS A 57 -1.418 1.204 -10.452 1.00 0.00 O ATOM 904 CB LYS A 57 -1.372 -1.635 -12.002 1.00 0.00 C ATOM 905 CG LYS A 57 -1.897 -0.671 -13.052 1.00 0.00 C ATOM 906 CD LYS A 57 -0.816 -0.291 -14.050 1.00 0.00 C ATOM 907 CE LYS A 57 -0.648 -1.357 -15.122 1.00 0.00 C ATOM 908 NZ LYS A 57 -1.747 -1.312 -16.126 1.00 0.00 N ATOM 0 H LYS A 57 -0.467 -2.818 -9.951 1.00 0.00 H new ATOM 0 HA LYS A 57 0.299 -0.415 -11.415 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.787 -2.412 -12.494 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.216 -2.128 -11.520 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.736 -1.126 -13.579 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.276 0.228 -12.565 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.069 0.660 -14.518 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.129 -0.147 -13.527 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.309 -1.219 -15.625 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.623 -2.341 -14.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.520 -1.946 -16.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.636 -1.618 -15.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.854 -0.340 -16.480 1.00 0.00 H new ATOM 922 N ASP A 58 -1.991 -0.480 -9.074 1.00 0.00 N ATOM 923 CA ASP A 58 -2.827 0.356 -8.221 1.00 0.00 C ATOM 924 C ASP A 58 -3.211 -0.384 -6.944 1.00 0.00 C ATOM 925 O ASP A 58 -3.418 -1.598 -6.954 1.00 0.00 O ATOM 926 CB ASP A 58 -4.087 0.789 -8.973 1.00 0.00 C ATOM 927 CG ASP A 58 -4.786 -0.373 -9.650 1.00 0.00 C ATOM 928 OD1 ASP A 58 -5.403 -1.191 -8.937 1.00 0.00 O ATOM 929 OD2 ASP A 58 -4.714 -0.466 -10.894 1.00 0.00 O ATOM 0 H ASP A 58 -1.947 -1.459 -8.792 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.254 1.242 -7.948 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.776 1.267 -8.277 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.821 1.535 -9.722 1.00 0.00 H new ATOM 934 N THR A 59 -3.304 0.356 -5.843 1.00 0.00 N ATOM 935 CA THR A 59 -3.661 -0.230 -4.557 1.00 0.00 C ATOM 936 C THR A 59 -4.893 0.446 -3.967 1.00 0.00 C ATOM 937 O THR A 59 -4.966 1.673 -3.896 1.00 0.00 O ATOM 938 CB THR A 59 -2.500 -0.124 -3.550 1.00 0.00 C ATOM 939 OG1 THR A 59 -2.835 -0.815 -2.341 1.00 0.00 O ATOM 940 CG2 THR A 59 -2.186 1.332 -3.237 1.00 0.00 C ATOM 0 H THR A 59 -3.137 1.362 -5.817 1.00 0.00 H new ATOM 0 HA THR A 59 -3.880 -1.282 -4.739 1.00 0.00 H new ATOM 0 HB THR A 59 -1.618 -0.582 -3.997 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.173 -0.604 -1.650 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.363 1.382 -2.524 1.00 0.00 H new ATOM 0 HG22 THR A 59 -1.903 1.848 -4.154 1.00 0.00 H new ATOM 0 HG23 THR A 59 -3.067 1.810 -2.808 1.00 0.00 H new ATOM 948 N VAL A 60 -5.861 -0.361 -3.544 1.00 0.00 N ATOM 949 CA VAL A 60 -7.090 0.160 -2.959 1.00 0.00 C ATOM 950 C VAL A 60 -6.909 0.457 -1.474 1.00 0.00 C ATOM 951 O VAL A 60 -6.287 -0.317 -0.746 1.00 0.00 O ATOM 952 CB VAL A 60 -8.258 -0.829 -3.134 1.00 0.00 C ATOM 953 CG1 VAL A 60 -9.345 -0.560 -2.104 1.00 0.00 C ATOM 954 CG2 VAL A 60 -8.818 -0.746 -4.546 1.00 0.00 C ATOM 0 H VAL A 60 -5.817 -1.379 -3.596 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.324 1.085 -3.486 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.883 -1.840 -2.975 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.162 -1.268 -2.243 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -8.933 -0.674 -1.102 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -9.721 0.456 -2.228 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -9.642 -1.451 -4.653 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -9.179 0.265 -4.736 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.035 -0.992 -5.263 1.00 0.00 H new ATOM 964 N VAL A 61 -7.457 1.584 -1.031 1.00 0.00 N ATOM 965 CA VAL A 61 -7.358 1.984 0.368 1.00 0.00 C ATOM 966 C VAL A 61 -8.632 2.679 0.833 1.00 0.00 C ATOM 967 O VAL A 61 -9.303 3.353 0.051 1.00 0.00 O ATOM 968 CB VAL A 61 -6.160 2.924 0.599 1.00 0.00 C ATOM 969 CG1 VAL A 61 -4.862 2.249 0.179 1.00 0.00 C ATOM 970 CG2 VAL A 61 -6.357 4.232 -0.151 1.00 0.00 C ATOM 0 H VAL A 61 -7.974 2.236 -1.621 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.213 1.073 0.948 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.097 3.148 1.664 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.027 2.928 0.350 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.717 1.342 0.766 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.911 1.993 -0.879 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.501 4.884 0.024 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.447 4.029 -1.218 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.264 4.721 0.203 1.00 0.00 H new ATOM 980 N GLN A 62 -8.960 2.510 2.110 1.00 0.00 N ATOM 981 CA GLN A 62 -10.155 3.122 2.678 1.00 0.00 C ATOM 982 C GLN A 62 -9.914 4.593 2.997 1.00 0.00 C ATOM 983 O GLN A 62 -9.217 4.924 3.957 1.00 0.00 O ATOM 984 CB GLN A 62 -10.582 2.376 3.944 1.00 0.00 C ATOM 985 CG GLN A 62 -11.164 0.999 3.672 1.00 0.00 C ATOM 986 CD GLN A 62 -10.095 -0.062 3.496 1.00 0.00 C ATOM 987 OE1 GLN A 62 -8.960 0.104 3.943 1.00 0.00 O ATOM 988 NE2 GLN A 62 -10.453 -1.161 2.842 1.00 0.00 N ATOM 0 H GLN A 62 -8.415 1.955 2.770 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.953 3.056 1.939 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.720 2.273 4.603 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -11.321 2.975 4.477 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.819 0.716 4.496 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.781 1.040 2.774 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.405 -1.257 2.488 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -9.776 -1.909 2.693 1.00 0.00 H new ATOM 997 N ILE A 63 -10.495 5.472 2.186 1.00 0.00 N ATOM 998 CA ILE A 63 -10.343 6.908 2.383 1.00 0.00 C ATOM 999 C ILE A 63 -11.691 7.573 2.639 1.00 0.00 C ATOM 1000 O ILE A 63 -12.657 7.344 1.910 1.00 0.00 O ATOM 1001 CB ILE A 63 -9.677 7.576 1.166 1.00 0.00 C ATOM 1002 CG1 ILE A 63 -8.214 7.141 1.055 1.00 0.00 C ATOM 1003 CG2 ILE A 63 -9.778 9.090 1.271 1.00 0.00 C ATOM 1004 CD1 ILE A 63 -7.503 7.712 -0.152 1.00 0.00 C ATOM 0 H ILE A 63 -11.075 5.214 1.387 1.00 0.00 H new ATOM 0 HA ILE A 63 -9.703 7.041 3.255 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.201 7.258 0.264 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -7.683 7.446 1.957 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.169 6.053 1.012 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.303 9.547 0.403 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.827 9.383 1.306 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -9.277 9.426 2.179 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.471 7.361 -0.166 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -8.009 7.386 -1.061 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -7.516 8.801 -0.100 1.00 0.00 H new ATOM 1016 N HIS A 64 -11.750 8.400 3.678 1.00 0.00 N ATOM 1017 CA HIS A 64 -12.980 9.101 4.029 1.00 0.00 C ATOM 1018 C HIS A 64 -14.124 8.115 4.248 1.00 0.00 C ATOM 1019 O HIS A 64 -15.288 8.439 4.016 1.00 0.00 O ATOM 1020 CB HIS A 64 -13.354 10.098 2.932 1.00 0.00 C ATOM 1021 CG HIS A 64 -12.631 11.406 3.040 1.00 0.00 C ATOM 1022 ND1 HIS A 64 -13.140 12.589 2.549 1.00 0.00 N ATOM 1023 CD2 HIS A 64 -11.432 11.712 3.588 1.00 0.00 C ATOM 1024 CE1 HIS A 64 -12.285 13.567 2.789 1.00 0.00 C ATOM 1025 NE2 HIS A 64 -11.240 13.061 3.419 1.00 0.00 N ATOM 0 H HIS A 64 -10.960 8.601 4.292 1.00 0.00 H new ATOM 0 HA HIS A 64 -12.808 9.643 4.959 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -13.141 9.653 1.960 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -14.428 10.281 2.970 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -10.753 11.023 4.069 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -12.418 14.604 2.517 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -10.423 13.587 3.729 1.00 0.00 H new ATOM 1034 N ASN A 65 -13.783 6.911 4.696 1.00 0.00 N ATOM 1035 CA ASN A 65 -14.781 5.878 4.945 1.00 0.00 C ATOM 1036 C ASN A 65 -15.311 5.305 3.634 1.00 0.00 C ATOM 1037 O ASN A 65 -16.427 4.791 3.576 1.00 0.00 O ATOM 1038 CB ASN A 65 -15.938 6.445 5.770 1.00 0.00 C ATOM 1039 CG ASN A 65 -16.792 5.358 6.394 1.00 0.00 C ATOM 1040 OD1 ASN A 65 -17.946 5.164 6.012 1.00 0.00 O ATOM 1041 ND2 ASN A 65 -16.226 4.642 7.358 1.00 0.00 N ATOM 0 H ASN A 65 -12.823 6.627 4.894 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.303 5.075 5.505 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.540 7.086 6.556 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.562 7.072 5.133 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -16.751 3.896 7.814 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -15.266 4.838 7.642 1.00 0.00 H new ATOM 1048 N GLN A 66 -14.500 5.398 2.584 1.00 0.00 N ATOM 1049 CA GLN A 66 -14.887 4.889 1.274 1.00 0.00 C ATOM 1050 C GLN A 66 -13.680 4.325 0.531 1.00 0.00 C ATOM 1051 O GLN A 66 -12.625 4.957 0.471 1.00 0.00 O ATOM 1052 CB GLN A 66 -15.539 5.997 0.445 1.00 0.00 C ATOM 1053 CG GLN A 66 -15.034 7.389 0.787 1.00 0.00 C ATOM 1054 CD GLN A 66 -16.000 8.480 0.365 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -17.034 8.208 -0.245 1.00 0.00 O ATOM 1056 NE2 GLN A 66 -15.666 9.724 0.690 1.00 0.00 N ATOM 0 H GLN A 66 -13.572 5.821 2.616 1.00 0.00 H new ATOM 0 HA GLN A 66 -15.608 4.085 1.423 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -15.357 5.803 -0.612 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -16.618 5.964 0.594 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -14.863 7.456 1.861 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -14.072 7.552 0.301 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -14.799 9.904 1.196 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -16.277 10.500 0.433 1.00 0.00 H new ATOM 1065 N ASP A 67 -13.843 3.134 -0.034 1.00 0.00 N ATOM 1066 CA ASP A 67 -12.767 2.485 -0.774 1.00 0.00 C ATOM 1067 C ASP A 67 -12.358 3.321 -1.983 1.00 0.00 C ATOM 1068 O ASP A 67 -13.204 3.756 -2.765 1.00 0.00 O ATOM 1069 CB ASP A 67 -13.199 1.089 -1.226 1.00 0.00 C ATOM 1070 CG ASP A 67 -13.397 0.139 -0.061 1.00 0.00 C ATOM 1071 OD1 ASP A 67 -14.249 0.430 0.805 1.00 0.00 O ATOM 1072 OD2 ASP A 67 -12.701 -0.896 -0.016 1.00 0.00 O ATOM 0 H ASP A 67 -14.710 2.598 0.006 1.00 0.00 H new ATOM 0 HA ASP A 67 -11.907 2.393 -0.110 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -14.128 1.165 -1.791 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -12.447 0.680 -1.901 1.00 0.00 H new ATOM 1077 N PHE A 68 -11.056 3.543 -2.129 1.00 0.00 N ATOM 1078 CA PHE A 68 -10.535 4.329 -3.242 1.00 0.00 C ATOM 1079 C PHE A 68 -9.416 3.579 -3.960 1.00 0.00 C ATOM 1080 O PHE A 68 -8.705 2.775 -3.357 1.00 0.00 O ATOM 1081 CB PHE A 68 -10.021 5.680 -2.743 1.00 0.00 C ATOM 1082 CG PHE A 68 -11.061 6.763 -2.764 1.00 0.00 C ATOM 1083 CD1 PHE A 68 -12.291 6.572 -2.155 1.00 0.00 C ATOM 1084 CD2 PHE A 68 -10.810 7.972 -3.393 1.00 0.00 C ATOM 1085 CE1 PHE A 68 -13.251 7.567 -2.174 1.00 0.00 C ATOM 1086 CE2 PHE A 68 -11.765 8.970 -3.415 1.00 0.00 C ATOM 1087 CZ PHE A 68 -12.987 8.768 -2.804 1.00 0.00 C ATOM 0 H PHE A 68 -10.343 3.190 -1.491 1.00 0.00 H new ATOM 0 HA PHE A 68 -11.348 4.496 -3.949 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -9.649 5.564 -1.725 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -9.175 5.988 -3.358 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -12.502 5.636 -1.660 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -9.856 8.136 -3.872 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -14.206 7.406 -1.697 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -11.556 9.907 -3.909 1.00 0.00 H new ATOM 0 HZ PHE A 68 -13.735 9.547 -2.819 1.00 0.00 H new ATOM 1097 N THR A 69 -9.267 3.848 -5.253 1.00 0.00 N ATOM 1098 CA THR A 69 -8.237 3.200 -6.055 1.00 0.00 C ATOM 1099 C THR A 69 -7.037 4.118 -6.256 1.00 0.00 C ATOM 1100 O THR A 69 -7.105 5.087 -7.013 1.00 0.00 O ATOM 1101 CB THR A 69 -8.781 2.775 -7.432 1.00 0.00 C ATOM 1102 OG1 THR A 69 -9.957 1.974 -7.269 1.00 0.00 O ATOM 1103 CG2 THR A 69 -7.734 1.995 -8.211 1.00 0.00 C ATOM 0 H THR A 69 -9.847 4.511 -5.767 1.00 0.00 H new ATOM 0 HA THR A 69 -7.923 2.312 -5.507 1.00 0.00 H new ATOM 0 HB THR A 69 -9.031 3.676 -7.992 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.297 1.710 -8.149 1.00 0.00 H new ATOM 0 HG21 THR A 69 -8.142 1.706 -9.180 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.852 2.618 -8.360 1.00 0.00 H new ATOM 0 HG23 THR A 69 -7.456 1.101 -7.653 1.00 0.00 H new ATOM 1111 N VAL A 70 -5.939 3.807 -5.575 1.00 0.00 N ATOM 1112 CA VAL A 70 -4.722 4.604 -5.681 1.00 0.00 C ATOM 1113 C VAL A 70 -3.804 4.063 -6.772 1.00 0.00 C ATOM 1114 O VAL A 70 -3.167 3.024 -6.602 1.00 0.00 O ATOM 1115 CB VAL A 70 -3.954 4.635 -4.347 1.00 0.00 C ATOM 1116 CG1 VAL A 70 -2.642 5.389 -4.503 1.00 0.00 C ATOM 1117 CG2 VAL A 70 -4.809 5.258 -3.254 1.00 0.00 C ATOM 0 H VAL A 70 -5.867 3.009 -4.944 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.029 5.618 -5.938 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.724 3.610 -4.057 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.113 5.400 -3.550 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.026 4.895 -5.254 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.846 6.413 -4.817 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.250 5.272 -2.318 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.072 6.278 -3.535 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.719 4.671 -3.125 1.00 0.00 H new ATOM 1127 N ASP A 71 -3.742 4.776 -7.891 1.00 0.00 N ATOM 1128 CA ASP A 71 -2.900 4.369 -9.010 1.00 0.00 C ATOM 1129 C ASP A 71 -1.464 4.842 -8.810 1.00 0.00 C ATOM 1130 O ASP A 71 -1.194 6.043 -8.772 1.00 0.00 O ATOM 1131 CB ASP A 71 -3.455 4.925 -10.322 1.00 0.00 C ATOM 1132 CG ASP A 71 -3.106 4.054 -11.514 1.00 0.00 C ATOM 1133 OD1 ASP A 71 -3.193 2.815 -11.389 1.00 0.00 O ATOM 1134 OD2 ASP A 71 -2.748 4.613 -12.571 1.00 0.00 O ATOM 0 H ASP A 71 -4.264 5.638 -8.047 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.901 3.280 -9.056 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.539 5.014 -10.246 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.063 5.929 -10.482 1.00 0.00 H new ATOM 1139 N LEU A 72 -0.545 3.890 -8.681 1.00 0.00 N ATOM 1140 CA LEU A 72 0.864 4.209 -8.484 1.00 0.00 C ATOM 1141 C LEU A 72 1.491 4.730 -9.773 1.00 0.00 C ATOM 1142 O LEU A 72 2.256 5.694 -9.758 1.00 0.00 O ATOM 1143 CB LEU A 72 1.624 2.974 -7.997 1.00 0.00 C ATOM 1144 CG LEU A 72 1.042 2.269 -6.771 1.00 0.00 C ATOM 1145 CD1 LEU A 72 1.401 0.791 -6.785 1.00 0.00 C ATOM 1146 CD2 LEU A 72 1.538 2.927 -5.492 1.00 0.00 C ATOM 0 H LEU A 72 -0.751 2.891 -8.709 1.00 0.00 H new ATOM 0 HA LEU A 72 0.931 4.991 -7.728 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.673 2.256 -8.815 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.649 3.269 -7.770 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.044 2.359 -6.805 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.979 0.306 -5.905 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.997 0.327 -7.685 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.485 0.680 -6.775 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.114 2.412 -4.630 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.626 2.868 -5.451 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.230 3.973 -5.478 1.00 0.00 H new ATOM 1158 N SER A 73 1.159 4.087 -10.888 1.00 0.00 N ATOM 1159 CA SER A 73 1.690 4.484 -12.187 1.00 0.00 C ATOM 1160 C SER A 73 1.613 5.997 -12.366 1.00 0.00 C ATOM 1161 O SER A 73 2.579 6.635 -12.787 1.00 0.00 O ATOM 1162 CB SER A 73 0.921 3.786 -13.311 1.00 0.00 C ATOM 1163 OG SER A 73 1.521 2.547 -13.646 1.00 0.00 O ATOM 0 H SER A 73 0.525 3.289 -10.918 1.00 0.00 H new ATOM 0 HA SER A 73 2.737 4.183 -12.231 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.111 3.622 -13.002 1.00 0.00 H new ATOM 0 HB3 SER A 73 0.892 4.429 -14.190 1.00 0.00 H new ATOM 0 HG SER A 73 1.010 2.120 -14.365 1.00 0.00 H new ATOM 1169 N THR A 74 0.457 6.567 -12.042 1.00 0.00 N ATOM 1170 CA THR A 74 0.251 8.004 -12.167 1.00 0.00 C ATOM 1171 C THR A 74 0.262 8.683 -10.802 1.00 0.00 C ATOM 1172 O THR A 74 0.435 9.896 -10.703 1.00 0.00 O ATOM 1173 CB THR A 74 -1.079 8.322 -12.875 1.00 0.00 C ATOM 1174 OG1 THR A 74 -1.202 9.735 -13.076 1.00 0.00 O ATOM 1175 CG2 THR A 74 -2.260 7.816 -12.061 1.00 0.00 C ATOM 0 H THR A 74 -0.352 6.054 -11.691 1.00 0.00 H new ATOM 0 HA THR A 74 1.075 8.389 -12.768 1.00 0.00 H new ATOM 0 HB THR A 74 -1.081 7.817 -13.841 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.050 9.929 -13.528 1.00 0.00 H new ATOM 0 HG21 THR A 74 -3.188 8.052 -12.581 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.179 6.736 -11.935 1.00 0.00 H new ATOM 0 HG23 THR A 74 -2.260 8.296 -11.083 1.00 0.00 H new ATOM 1183 N ASN A 75 0.077 7.890 -9.751 1.00 0.00 N ATOM 1184 CA ASN A 75 0.065 8.415 -8.391 1.00 0.00 C ATOM 1185 C ASN A 75 -1.162 9.291 -8.156 1.00 0.00 C ATOM 1186 O ASN A 75 -1.047 10.436 -7.716 1.00 0.00 O ATOM 1187 CB ASN A 75 1.339 9.218 -8.121 1.00 0.00 C ATOM 1188 CG ASN A 75 2.544 8.652 -8.846 1.00 0.00 C ATOM 1189 OD1 ASN A 75 2.739 8.898 -10.036 1.00 0.00 O ATOM 1190 ND2 ASN A 75 3.361 7.888 -8.129 1.00 0.00 N ATOM 0 H ASN A 75 -0.067 6.882 -9.816 1.00 0.00 H new ATOM 0 HA ASN A 75 0.023 7.571 -7.703 1.00 0.00 H new ATOM 0 HB2 ASN A 75 1.186 10.252 -8.430 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.537 9.231 -7.049 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.189 7.479 -8.563 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.161 7.710 -7.145 1.00 0.00 H new ATOM 1197 N THR A 76 -2.337 8.745 -8.451 1.00 0.00 N ATOM 1198 CA THR A 76 -3.586 9.476 -8.273 1.00 0.00 C ATOM 1199 C THR A 76 -4.696 8.555 -7.779 1.00 0.00 C ATOM 1200 O THR A 76 -4.889 7.461 -8.309 1.00 0.00 O ATOM 1201 CB THR A 76 -4.036 10.147 -9.584 1.00 0.00 C ATOM 1202 OG1 THR A 76 -3.068 11.120 -9.994 1.00 0.00 O ATOM 1203 CG2 THR A 76 -5.392 10.814 -9.413 1.00 0.00 C ATOM 0 H THR A 76 -2.450 7.799 -8.814 1.00 0.00 H new ATOM 0 HA THR A 76 -3.398 10.247 -7.526 1.00 0.00 H new ATOM 0 HB THR A 76 -4.122 9.376 -10.350 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.361 11.541 -10.829 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.689 11.281 -10.352 1.00 0.00 H new ATOM 0 HG22 THR A 76 -6.132 10.066 -9.130 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.328 11.574 -8.634 1.00 0.00 H new ATOM 1211 N ALA A 77 -5.424 9.006 -6.763 1.00 0.00 N ATOM 1212 CA ALA A 77 -6.517 8.223 -6.200 1.00 0.00 C ATOM 1213 C ALA A 77 -7.845 8.585 -6.855 1.00 0.00 C ATOM 1214 O ALA A 77 -8.061 9.729 -7.257 1.00 0.00 O ATOM 1215 CB ALA A 77 -6.595 8.432 -4.695 1.00 0.00 C ATOM 0 H ALA A 77 -5.277 9.909 -6.313 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.318 7.170 -6.400 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.416 7.841 -4.288 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.658 8.117 -4.235 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.767 9.487 -4.483 1.00 0.00 H new ATOM 1221 N THR A 78 -8.735 7.603 -6.961 1.00 0.00 N ATOM 1222 CA THR A 78 -10.042 7.818 -7.570 1.00 0.00 C ATOM 1223 C THR A 78 -11.085 6.877 -6.978 1.00 0.00 C ATOM 1224 O THR A 78 -10.769 5.755 -6.581 1.00 0.00 O ATOM 1225 CB THR A 78 -9.991 7.614 -9.096 1.00 0.00 C ATOM 1226 OG1 THR A 78 -8.866 8.309 -9.646 1.00 0.00 O ATOM 1227 CG2 THR A 78 -11.270 8.112 -9.751 1.00 0.00 C ATOM 0 H THR A 78 -8.574 6.651 -6.633 1.00 0.00 H new ATOM 0 HA THR A 78 -10.324 8.849 -7.358 1.00 0.00 H new ATOM 0 HB THR A 78 -9.891 6.547 -9.295 1.00 0.00 H new ATOM 0 HG1 THR A 78 -8.840 8.173 -10.616 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.211 7.958 -10.828 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.122 7.561 -9.352 1.00 0.00 H new ATOM 0 HG23 THR A 78 -11.395 9.175 -9.543 1.00 0.00 H new ATOM 1235 N ALA A 79 -12.329 7.341 -6.922 1.00 0.00 N ATOM 1236 CA ALA A 79 -13.420 6.539 -6.380 1.00 0.00 C ATOM 1237 C ALA A 79 -14.684 6.696 -7.217 1.00 0.00 C ATOM 1238 O ALA A 79 -14.901 7.716 -7.873 1.00 0.00 O ATOM 1239 CB ALA A 79 -13.690 6.925 -4.934 1.00 0.00 C ATOM 0 H ALA A 79 -12.607 8.268 -7.245 1.00 0.00 H new ATOM 0 HA ALA A 79 -13.121 5.491 -6.415 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -14.507 6.319 -4.542 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -12.793 6.755 -4.338 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -13.964 7.979 -4.884 1.00 0.00 H new ATOM 1245 N PRO A 80 -15.541 5.664 -7.197 1.00 0.00 N ATOM 1246 CA PRO A 80 -16.799 5.664 -7.949 1.00 0.00 C ATOM 1247 C PRO A 80 -17.816 6.646 -7.377 1.00 0.00 C ATOM 1248 O PRO A 80 -18.942 6.740 -7.864 1.00 0.00 O ATOM 1249 CB PRO A 80 -17.302 4.226 -7.800 1.00 0.00 C ATOM 1250 CG PRO A 80 -16.685 3.739 -6.534 1.00 0.00 C ATOM 1251 CD PRO A 80 -15.347 4.418 -6.437 1.00 0.00 C ATOM 0 HA PRO A 80 -16.655 5.974 -8.984 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -18.390 4.190 -7.750 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -17.002 3.612 -8.649 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -17.310 3.985 -5.676 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -16.572 2.655 -6.547 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -15.072 4.618 -5.401 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -14.554 3.805 -6.865 1.00 0.00 H new ATOM 1259 N GLN A 81 -17.411 7.376 -6.343 1.00 0.00 N ATOM 1260 CA GLN A 81 -18.288 8.351 -5.706 1.00 0.00 C ATOM 1261 C GLN A 81 -18.207 9.700 -6.412 1.00 0.00 C ATOM 1262 O GLN A 81 -19.205 10.408 -6.536 1.00 0.00 O ATOM 1263 CB GLN A 81 -17.920 8.511 -4.230 1.00 0.00 C ATOM 1264 CG GLN A 81 -17.912 7.201 -3.459 1.00 0.00 C ATOM 1265 CD GLN A 81 -19.292 6.587 -3.337 1.00 0.00 C ATOM 1266 OE1 GLN A 81 -20.302 7.244 -3.594 1.00 0.00 O ATOM 1267 NE2 GLN A 81 -19.344 5.320 -2.943 1.00 0.00 N ATOM 0 H GLN A 81 -16.481 7.311 -5.929 1.00 0.00 H new ATOM 0 HA GLN A 81 -19.312 7.984 -5.780 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -16.935 8.971 -4.158 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -18.627 9.195 -3.760 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -17.247 6.495 -3.957 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -17.506 7.373 -2.462 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -18.482 4.813 -2.741 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -20.246 4.854 -2.843 1.00 0.00 H new ATOM 1276 N GLY A 82 -17.010 10.050 -6.873 1.00 0.00 N ATOM 1277 CA GLY A 82 -16.820 11.314 -7.561 1.00 0.00 C ATOM 1278 C GLY A 82 -15.740 12.165 -6.923 1.00 0.00 C ATOM 1279 O GLY A 82 -15.862 13.388 -6.860 1.00 0.00 O ATOM 0 H GLY A 82 -16.168 9.481 -6.782 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -16.559 11.122 -8.602 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -17.759 11.867 -7.564 1.00 0.00 H new ATOM 1283 N GLN A 83 -14.682 11.516 -6.447 1.00 0.00 N ATOM 1284 CA GLN A 83 -13.578 12.222 -5.808 1.00 0.00 C ATOM 1285 C GLN A 83 -12.236 11.638 -6.238 1.00 0.00 C ATOM 1286 O GLN A 83 -12.093 10.423 -6.382 1.00 0.00 O ATOM 1287 CB GLN A 83 -13.713 12.154 -4.286 1.00 0.00 C ATOM 1288 CG GLN A 83 -14.789 13.072 -3.729 1.00 0.00 C ATOM 1289 CD GLN A 83 -16.145 12.398 -3.646 1.00 0.00 C ATOM 1290 OE1 GLN A 83 -16.884 12.341 -4.629 1.00 0.00 O ATOM 1291 NE2 GLN A 83 -16.479 11.884 -2.468 1.00 0.00 N ATOM 0 H GLN A 83 -14.566 10.504 -6.492 1.00 0.00 H new ATOM 0 HA GLN A 83 -13.617 13.265 -6.123 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -13.936 11.128 -3.995 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -12.756 12.413 -3.833 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -14.494 13.410 -2.736 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -14.866 13.959 -4.358 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -15.835 11.954 -1.680 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -17.379 11.419 -2.351 1.00 0.00 H new ATOM 1300 N THR A 84 -11.254 12.510 -6.443 1.00 0.00 N ATOM 1301 CA THR A 84 -9.925 12.081 -6.858 1.00 0.00 C ATOM 1302 C THR A 84 -8.841 12.900 -6.166 1.00 0.00 C ATOM 1303 O THR A 84 -9.009 14.097 -5.931 1.00 0.00 O ATOM 1304 CB THR A 84 -9.747 12.199 -8.383 1.00 0.00 C ATOM 1305 OG1 THR A 84 -9.635 13.576 -8.758 1.00 0.00 O ATOM 1306 CG2 THR A 84 -10.918 11.562 -9.116 1.00 0.00 C ATOM 0 H THR A 84 -11.355 13.519 -6.328 1.00 0.00 H new ATOM 0 HA THR A 84 -9.826 11.035 -6.568 1.00 0.00 H new ATOM 0 HB THR A 84 -8.835 11.672 -8.662 1.00 0.00 H new ATOM 0 HG1 THR A 84 -9.520 13.642 -9.729 1.00 0.00 H new ATOM 0 HG21 THR A 84 -10.770 11.658 -10.192 1.00 0.00 H new ATOM 0 HG22 THR A 84 -10.982 10.507 -8.851 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.842 12.064 -8.831 1.00 0.00 H new ATOM 1314 N PHE A 85 -7.729 12.249 -5.843 1.00 0.00 N ATOM 1315 CA PHE A 85 -6.617 12.918 -5.178 1.00 0.00 C ATOM 1316 C PHE A 85 -5.286 12.517 -5.806 1.00 0.00 C ATOM 1317 O PHE A 85 -5.235 11.658 -6.687 1.00 0.00 O ATOM 1318 CB PHE A 85 -6.611 12.582 -3.685 1.00 0.00 C ATOM 1319 CG PHE A 85 -7.977 12.291 -3.131 1.00 0.00 C ATOM 1320 CD1 PHE A 85 -8.878 13.318 -2.898 1.00 0.00 C ATOM 1321 CD2 PHE A 85 -8.359 10.991 -2.841 1.00 0.00 C ATOM 1322 CE1 PHE A 85 -10.135 13.054 -2.389 1.00 0.00 C ATOM 1323 CE2 PHE A 85 -9.615 10.721 -2.332 1.00 0.00 C ATOM 1324 CZ PHE A 85 -10.503 11.753 -2.104 1.00 0.00 C ATOM 0 H PHE A 85 -7.574 11.259 -6.031 1.00 0.00 H new ATOM 0 HA PHE A 85 -6.747 13.993 -5.301 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -5.968 11.718 -3.518 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -6.174 13.415 -3.135 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -8.594 14.337 -3.117 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -7.667 10.180 -3.015 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -10.829 13.863 -2.214 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -9.902 9.703 -2.113 1.00 0.00 H new ATOM 0 HZ PHE A 85 -11.484 11.544 -1.703 1.00 0.00 H new ATOM 1334 N THR A 86 -4.208 13.145 -5.347 1.00 0.00 N ATOM 1335 CA THR A 86 -2.877 12.856 -5.864 1.00 0.00 C ATOM 1336 C THR A 86 -1.958 12.344 -4.761 1.00 0.00 C ATOM 1337 O THR A 86 -1.771 13.003 -3.738 1.00 0.00 O ATOM 1338 CB THR A 86 -2.241 14.103 -6.508 1.00 0.00 C ATOM 1339 OG1 THR A 86 -3.111 14.632 -7.514 1.00 0.00 O ATOM 1340 CG2 THR A 86 -0.891 13.766 -7.123 1.00 0.00 C ATOM 0 H THR A 86 -4.231 13.858 -4.618 1.00 0.00 H new ATOM 0 HA THR A 86 -2.994 12.083 -6.624 1.00 0.00 H new ATOM 0 HB THR A 86 -2.090 14.850 -5.729 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.701 15.425 -7.917 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.462 14.662 -7.571 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.222 13.391 -6.349 1.00 0.00 H new ATOM 0 HG23 THR A 86 -1.021 13.003 -7.890 1.00 0.00 H new ATOM 1348 N VAL A 87 -1.385 11.163 -4.975 1.00 0.00 N ATOM 1349 CA VAL A 87 -0.483 10.563 -3.999 1.00 0.00 C ATOM 1350 C VAL A 87 0.974 10.836 -4.356 1.00 0.00 C ATOM 1351 O VAL A 87 1.358 10.775 -5.524 1.00 0.00 O ATOM 1352 CB VAL A 87 -0.699 9.041 -3.898 1.00 0.00 C ATOM 1353 CG1 VAL A 87 -1.963 8.732 -3.110 1.00 0.00 C ATOM 1354 CG2 VAL A 87 -0.760 8.418 -5.285 1.00 0.00 C ATOM 0 H VAL A 87 -1.530 10.603 -5.815 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.709 11.020 -3.036 1.00 0.00 H new ATOM 0 HB VAL A 87 0.147 8.606 -3.366 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.099 7.652 -3.049 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -1.875 9.144 -2.105 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.822 9.178 -3.611 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.913 7.343 -5.194 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.586 8.856 -5.845 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.176 8.608 -5.811 1.00 0.00 H new ATOM 1364 N GLN A 88 1.779 11.137 -3.343 1.00 0.00 N ATOM 1365 CA GLN A 88 3.194 11.419 -3.550 1.00 0.00 C ATOM 1366 C GLN A 88 4.062 10.537 -2.659 1.00 0.00 C ATOM 1367 O GLN A 88 3.708 10.255 -1.514 1.00 0.00 O ATOM 1368 CB GLN A 88 3.488 12.894 -3.269 1.00 0.00 C ATOM 1369 CG GLN A 88 3.059 13.346 -1.882 1.00 0.00 C ATOM 1370 CD GLN A 88 2.958 14.854 -1.765 1.00 0.00 C ATOM 1371 OE1 GLN A 88 3.654 15.590 -2.464 1.00 0.00 O ATOM 1372 NE2 GLN A 88 2.087 15.322 -0.878 1.00 0.00 N ATOM 0 H GLN A 88 1.476 11.192 -2.371 1.00 0.00 H new ATOM 0 HA GLN A 88 3.433 11.199 -4.590 1.00 0.00 H new ATOM 0 HB2 GLN A 88 4.557 13.071 -3.385 1.00 0.00 H new ATOM 0 HB3 GLN A 88 2.980 13.506 -4.015 1.00 0.00 H new ATOM 0 HG2 GLN A 88 2.093 12.901 -1.642 1.00 0.00 H new ATOM 0 HG3 GLN A 88 3.773 12.975 -1.146 1.00 0.00 H new ATOM 0 HE21 GLN A 88 1.530 14.675 -0.319 1.00 0.00 H new ATOM 0 HE22 GLN A 88 1.975 16.328 -0.755 1.00 0.00 H new ATOM 1381 N ARG A 89 5.199 10.102 -3.193 1.00 0.00 N ATOM 1382 CA ARG A 89 6.117 9.250 -2.446 1.00 0.00 C ATOM 1383 C ARG A 89 7.395 10.005 -2.094 1.00 0.00 C ATOM 1384 O ARG A 89 8.095 10.507 -2.974 1.00 0.00 O ATOM 1385 CB ARG A 89 6.458 7.999 -3.257 1.00 0.00 C ATOM 1386 CG ARG A 89 7.108 6.898 -2.435 1.00 0.00 C ATOM 1387 CD ARG A 89 7.297 5.629 -3.251 1.00 0.00 C ATOM 1388 NE ARG A 89 7.724 4.504 -2.424 1.00 0.00 N ATOM 1389 CZ ARG A 89 8.989 4.278 -2.088 1.00 0.00 C ATOM 1390 NH1 ARG A 89 9.946 5.094 -2.507 1.00 0.00 N ATOM 1391 NH2 ARG A 89 9.299 3.232 -1.332 1.00 0.00 N ATOM 0 H ARG A 89 5.506 10.325 -4.140 1.00 0.00 H new ATOM 0 HA ARG A 89 5.625 8.952 -1.520 1.00 0.00 H new ATOM 0 HB2 ARG A 89 5.546 7.611 -3.711 1.00 0.00 H new ATOM 0 HB3 ARG A 89 7.127 8.276 -4.072 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.074 7.241 -2.065 1.00 0.00 H new ATOM 0 HG3 ARG A 89 6.491 6.682 -1.563 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.362 5.377 -3.751 1.00 0.00 H new ATOM 0 HD3 ARG A 89 8.037 5.807 -4.031 1.00 0.00 H new ATOM 0 HE ARG A 89 7.012 3.856 -2.086 1.00 0.00 H new ATOM 0 HH11 ARG A 89 9.712 5.898 -3.089 1.00 0.00 H new ATOM 0 HH12 ARG A 89 10.916 4.918 -2.247 1.00 0.00 H new ATOM 0 HH21 ARG A 89 8.566 2.601 -1.009 1.00 0.00 H new ATOM 0 HH22 ARG A 89 10.271 3.059 -1.074 1.00 0.00 H new ATOM 1405 N LEU A 90 7.693 10.082 -0.802 1.00 0.00 N ATOM 1406 CA LEU A 90 8.887 10.776 -0.332 1.00 0.00 C ATOM 1407 C LEU A 90 9.789 9.833 0.459 1.00 0.00 C ATOM 1408 O LEU A 90 9.322 9.085 1.317 1.00 0.00 O ATOM 1409 CB LEU A 90 8.496 11.974 0.536 1.00 0.00 C ATOM 1410 CG LEU A 90 7.276 12.769 0.071 1.00 0.00 C ATOM 1411 CD1 LEU A 90 5.997 12.151 0.616 1.00 0.00 C ATOM 1412 CD2 LEU A 90 7.393 14.224 0.501 1.00 0.00 C ATOM 0 H LEU A 90 7.124 9.672 -0.061 1.00 0.00 H new ATOM 0 HA LEU A 90 9.438 11.131 -1.203 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.308 11.618 1.549 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.348 12.652 0.590 1.00 0.00 H new ATOM 0 HG LEU A 90 7.236 12.735 -1.018 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.139 12.730 0.275 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.908 11.125 0.259 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.027 12.154 1.706 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.516 14.775 0.162 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.458 14.278 1.588 1.00 0.00 H new ATOM 0 HD23 LEU A 90 8.289 14.662 0.062 1.00 0.00 H new