USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=14 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 Single : A 30 GLN : amide:sc= -0.564 K(o=-0.56,f=-2.3!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.516 X(o=-0.52,f=-0.23) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -1.15 K(o=-1.1,f=-2.8!) 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 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -3.29! C(o=-3.3!,f=-6.7!) USER MOD Single : A 46 MET CE :methyl -141:sc= -0.123 (180deg=-0.882) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -168:sc=-0.000715 (180deg=-0.0899) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 170:sc= 0.0157 USER MOD Single : A 62 GLN : amide:sc= -0.284 K(o=-0.28,f=-0.88) USER MOD Single : A 64 HIS : no HD1:sc= -3.24! K(o=-3.2!,f=-1.2) USER MOD Single : A 65 ASN : amide:sc= -0.0539 K(o=-0.054,f=-1.4) USER MOD Single : A 66 GLN : amide:sc= -0.731 K(o=-0.73,f=-2.1!) 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= -3.21! C(o=-3.2!,f=-5.8!) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.0305 USER MOD Single : A 81 GLN : amide:sc= -0.0738 K(o=-0.074,f=-1.3) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) 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= -1.94 X(o=-1.9,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 397 N GLU A 28 7.119 7.950 3.535 1.00 0.00 N ATOM 398 CA GLU A 28 5.966 8.766 3.897 1.00 0.00 C ATOM 399 C GLU A 28 5.062 8.996 2.690 1.00 0.00 C ATOM 400 O GLU A 28 5.459 9.637 1.717 1.00 0.00 O ATOM 401 CB GLU A 28 6.423 10.109 4.469 1.00 0.00 C ATOM 402 CG GLU A 28 5.397 10.765 5.376 1.00 0.00 C ATOM 403 CD GLU A 28 5.478 10.267 6.806 1.00 0.00 C ATOM 404 OE1 GLU A 28 6.338 10.767 7.560 1.00 0.00 O ATOM 405 OE2 GLU A 28 4.682 9.376 7.170 1.00 0.00 O ATOM 0 HA GLU A 28 5.398 8.230 4.657 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.347 9.961 5.028 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.653 10.785 3.646 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.544 11.845 5.363 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.398 10.574 4.985 1.00 0.00 H new ATOM 412 N TRP A 29 3.845 8.468 2.760 1.00 0.00 N ATOM 413 CA TRP A 29 2.884 8.615 1.673 1.00 0.00 C ATOM 414 C TRP A 29 1.785 9.603 2.048 1.00 0.00 C ATOM 415 O TRP A 29 1.100 9.429 3.055 1.00 0.00 O ATOM 416 CB TRP A 29 2.270 7.259 1.321 1.00 0.00 C ATOM 417 CG TRP A 29 3.199 6.367 0.554 1.00 0.00 C ATOM 418 CD1 TRP A 29 4.289 5.706 1.042 1.00 0.00 C ATOM 419 CD2 TRP A 29 3.119 6.041 -0.838 1.00 0.00 C ATOM 420 NE1 TRP A 29 4.893 4.988 0.037 1.00 0.00 N ATOM 421 CE2 TRP A 29 4.194 5.177 -1.125 1.00 0.00 C ATOM 422 CE3 TRP A 29 2.244 6.394 -1.869 1.00 0.00 C ATOM 423 CZ2 TRP A 29 4.414 4.663 -2.400 1.00 0.00 C ATOM 424 CZ3 TRP A 29 2.465 5.883 -3.134 1.00 0.00 C ATOM 425 CH2 TRP A 29 3.542 5.024 -3.391 1.00 0.00 C ATOM 0 H TRP A 29 3.501 7.934 3.558 1.00 0.00 H new ATOM 0 HA TRP A 29 3.414 9.003 0.803 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.970 6.755 2.240 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.365 7.419 0.735 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.627 5.742 2.067 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.726 4.409 0.140 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.410 7.054 -1.681 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.244 4.002 -2.600 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.796 6.150 -3.939 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.687 4.640 -4.390 1.00 0.00 H new ATOM 436 N GLN A 30 1.623 10.639 1.231 1.00 0.00 N ATOM 437 CA GLN A 30 0.606 11.654 1.479 1.00 0.00 C ATOM 438 C GLN A 30 -0.254 11.878 0.239 1.00 0.00 C ATOM 439 O GLN A 30 0.209 11.705 -0.888 1.00 0.00 O ATOM 440 CB GLN A 30 1.262 12.969 1.904 1.00 0.00 C ATOM 441 CG GLN A 30 2.181 12.830 3.106 1.00 0.00 C ATOM 442 CD GLN A 30 2.592 14.170 3.685 1.00 0.00 C ATOM 443 OE1 GLN A 30 1.766 14.906 4.225 1.00 0.00 O ATOM 444 NE2 GLN A 30 3.875 14.494 3.575 1.00 0.00 N ATOM 0 H GLN A 30 2.182 10.797 0.393 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.037 11.299 2.285 1.00 0.00 H new ATOM 0 HB2 GLN A 30 1.832 13.368 1.065 1.00 0.00 H new ATOM 0 HB3 GLN A 30 0.483 13.696 2.135 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.679 12.244 3.876 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.073 12.276 2.814 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.525 13.854 3.120 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.210 15.383 3.946 1.00 0.00 H new ATOM 453 N TYR A 31 -1.506 12.263 0.456 1.00 0.00 N ATOM 454 CA TYR A 31 -2.432 12.508 -0.644 1.00 0.00 C ATOM 455 C TYR A 31 -2.865 13.971 -0.676 1.00 0.00 C ATOM 456 O TYR A 31 -3.030 14.603 0.368 1.00 0.00 O ATOM 457 CB TYR A 31 -3.659 11.604 -0.516 1.00 0.00 C ATOM 458 CG TYR A 31 -4.514 11.909 0.693 1.00 0.00 C ATOM 459 CD1 TYR A 31 -4.144 11.470 1.958 1.00 0.00 C ATOM 460 CD2 TYR A 31 -5.691 12.637 0.570 1.00 0.00 C ATOM 461 CE1 TYR A 31 -4.923 11.746 3.065 1.00 0.00 C ATOM 462 CE2 TYR A 31 -6.475 12.919 1.671 1.00 0.00 C ATOM 463 CZ TYR A 31 -6.086 12.472 2.917 1.00 0.00 C ATOM 464 OH TYR A 31 -6.865 12.750 4.017 1.00 0.00 O ATOM 0 H TYR A 31 -1.904 12.412 1.383 1.00 0.00 H new ATOM 0 HA TYR A 31 -1.917 12.280 -1.577 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -4.268 11.703 -1.415 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.331 10.566 -0.466 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -3.232 10.904 2.078 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -5.998 12.988 -0.404 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -4.623 11.395 4.041 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -7.387 13.486 1.558 1.00 0.00 H new ATOM 0 HH TYR A 31 -7.648 13.271 3.740 1.00 0.00 H new ATOM 474 N ILE A 32 -3.048 14.500 -1.880 1.00 0.00 N ATOM 475 CA ILE A 32 -3.465 15.887 -2.049 1.00 0.00 C ATOM 476 C ILE A 32 -4.962 15.982 -2.321 1.00 0.00 C ATOM 477 O ILE A 32 -5.425 15.673 -3.419 1.00 0.00 O ATOM 478 CB ILE A 32 -2.701 16.567 -3.201 1.00 0.00 C ATOM 479 CG1 ILE A 32 -1.280 16.926 -2.758 1.00 0.00 C ATOM 480 CG2 ILE A 32 -3.445 17.809 -3.668 1.00 0.00 C ATOM 481 CD1 ILE A 32 -0.265 15.844 -3.054 1.00 0.00 C ATOM 0 H ILE A 32 -2.914 13.990 -2.753 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.235 16.402 -1.116 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.636 15.870 -4.036 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.974 17.846 -3.256 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.282 17.128 -1.687 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.893 18.279 -4.482 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.439 17.528 -4.017 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.537 18.511 -2.839 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.719 16.166 -2.714 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.547 14.928 -2.534 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.235 15.657 -4.127 1.00 0.00 H new ATOM 493 N ASP A 33 -5.714 16.414 -1.314 1.00 0.00 N ATOM 494 CA ASP A 33 -7.160 16.553 -1.445 1.00 0.00 C ATOM 495 C ASP A 33 -7.513 17.760 -2.308 1.00 0.00 C ATOM 496 O ASP A 33 -6.659 18.595 -2.607 1.00 0.00 O ATOM 497 CB ASP A 33 -7.807 16.689 -0.066 1.00 0.00 C ATOM 498 CG ASP A 33 -9.316 16.817 -0.145 1.00 0.00 C ATOM 499 OD1 ASP A 33 -10.001 15.772 -0.148 1.00 0.00 O ATOM 500 OD2 ASP A 33 -9.812 17.961 -0.202 1.00 0.00 O ATOM 0 H ASP A 33 -5.346 16.674 -0.399 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.545 15.656 -1.931 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.550 15.820 0.540 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.397 17.563 0.440 1.00 0.00 H new ATOM 505 N LYS A 34 -8.778 17.846 -2.707 1.00 0.00 N ATOM 506 CA LYS A 34 -9.246 18.950 -3.536 1.00 0.00 C ATOM 507 C LYS A 34 -8.424 20.209 -3.280 1.00 0.00 C ATOM 508 O LYS A 34 -7.602 20.604 -4.107 1.00 0.00 O ATOM 509 CB LYS A 34 -10.725 19.230 -3.261 1.00 0.00 C ATOM 510 CG LYS A 34 -11.628 18.035 -3.516 1.00 0.00 C ATOM 511 CD LYS A 34 -12.177 18.043 -4.933 1.00 0.00 C ATOM 512 CE LYS A 34 -13.383 18.961 -5.058 1.00 0.00 C ATOM 513 NZ LYS A 34 -13.615 19.383 -6.467 1.00 0.00 N ATOM 0 H LYS A 34 -9.498 17.163 -2.469 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.124 18.664 -4.581 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.840 19.547 -2.224 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.051 20.061 -3.886 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.071 17.114 -3.346 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -12.454 18.044 -2.805 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.399 18.367 -5.624 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.458 17.030 -5.221 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -14.269 18.450 -4.681 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.234 19.843 -4.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -14.445 20.008 -6.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.780 19.893 -6.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.782 18.544 -7.058 1.00 0.00 H new ATOM 527 N ASN A 35 -8.650 20.834 -2.129 1.00 0.00 N ATOM 528 CA ASN A 35 -7.928 22.048 -1.764 1.00 0.00 C ATOM 529 C ASN A 35 -7.181 21.862 -0.447 1.00 0.00 C ATOM 530 O ASN A 35 -6.798 22.835 0.203 1.00 0.00 O ATOM 531 CB ASN A 35 -8.897 23.227 -1.652 1.00 0.00 C ATOM 532 CG ASN A 35 -8.195 24.566 -1.776 1.00 0.00 C ATOM 533 OD1 ASN A 35 -7.609 25.063 -0.815 1.00 0.00 O ATOM 534 ND2 ASN A 35 -8.252 25.156 -2.965 1.00 0.00 N ATOM 0 H ASN A 35 -9.327 20.520 -1.433 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.199 22.258 -2.547 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.657 23.145 -2.429 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.415 23.179 -0.694 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -7.798 26.058 -3.109 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.749 24.707 -3.734 1.00 0.00 H new ATOM 541 N ILE A 36 -6.978 20.607 -0.061 1.00 0.00 N ATOM 542 CA ILE A 36 -6.276 20.294 1.177 1.00 0.00 C ATOM 543 C ILE A 36 -5.206 19.231 0.949 1.00 0.00 C ATOM 544 O ILE A 36 -5.372 18.334 0.121 1.00 0.00 O ATOM 545 CB ILE A 36 -7.247 19.803 2.267 1.00 0.00 C ATOM 546 CG1 ILE A 36 -8.531 20.635 2.249 1.00 0.00 C ATOM 547 CG2 ILE A 36 -6.586 19.869 3.635 1.00 0.00 C ATOM 548 CD1 ILE A 36 -9.576 20.113 1.287 1.00 0.00 C ATOM 0 H ILE A 36 -7.290 19.791 -0.588 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.803 21.217 1.513 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.506 18.765 2.061 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.953 20.659 3.254 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.285 21.663 1.983 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -7.285 19.519 4.394 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.698 19.237 3.641 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.301 20.898 3.852 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.459 20.751 1.327 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.172 20.115 0.275 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.851 19.096 1.565 1.00 0.00 H new ATOM 560 N THR A 37 -4.108 19.336 1.690 1.00 0.00 N ATOM 561 CA THR A 37 -3.011 18.384 1.569 1.00 0.00 C ATOM 562 C THR A 37 -2.794 17.626 2.874 1.00 0.00 C ATOM 563 O THR A 37 -2.138 18.123 3.789 1.00 0.00 O ATOM 564 CB THR A 37 -1.698 19.086 1.173 1.00 0.00 C ATOM 565 OG1 THR A 37 -1.925 19.955 0.057 1.00 0.00 O ATOM 566 CG2 THR A 37 -0.625 18.068 0.819 1.00 0.00 C ATOM 0 H THR A 37 -3.955 20.071 2.380 1.00 0.00 H new ATOM 0 HA THR A 37 -3.289 17.680 0.785 1.00 0.00 H new ATOM 0 HB THR A 37 -1.353 19.671 2.025 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.086 20.399 -0.188 1.00 0.00 H new ATOM 0 HG21 THR A 37 0.293 18.588 0.543 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.434 17.427 1.679 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.964 17.459 -0.019 1.00 0.00 H new ATOM 574 N GLN A 38 -3.350 16.421 2.953 1.00 0.00 N ATOM 575 CA GLN A 38 -3.217 15.595 4.147 1.00 0.00 C ATOM 576 C GLN A 38 -2.339 14.379 3.872 1.00 0.00 C ATOM 577 O GLN A 38 -1.859 14.187 2.754 1.00 0.00 O ATOM 578 CB GLN A 38 -4.594 15.146 4.638 1.00 0.00 C ATOM 579 CG GLN A 38 -5.435 16.276 5.209 1.00 0.00 C ATOM 580 CD GLN A 38 -4.812 16.902 6.441 1.00 0.00 C ATOM 581 OE1 GLN A 38 -3.746 17.514 6.369 1.00 0.00 O ATOM 582 NE2 GLN A 38 -5.476 16.752 7.582 1.00 0.00 N ATOM 0 H GLN A 38 -3.897 15.995 2.204 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.741 16.195 4.923 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.133 14.686 3.810 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.466 14.378 5.401 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.572 17.043 4.446 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.425 15.896 5.461 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -6.356 16.237 7.596 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.105 17.152 8.444 1.00 0.00 H new ATOM 591 N CYS A 39 -2.133 13.561 4.898 1.00 0.00 N ATOM 592 CA CYS A 39 -1.312 12.362 4.768 1.00 0.00 C ATOM 593 C CYS A 39 -2.106 11.115 5.142 1.00 0.00 C ATOM 594 O CYS A 39 -3.173 11.205 5.750 1.00 0.00 O ATOM 595 CB CYS A 39 -0.068 12.473 5.650 1.00 0.00 C ATOM 596 SG CYS A 39 -0.417 12.456 7.424 1.00 0.00 S ATOM 0 H CYS A 39 -2.523 13.706 5.829 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.004 12.274 3.726 1.00 0.00 H new ATOM 0 HB2 CYS A 39 0.605 11.649 5.415 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.458 13.395 5.403 1.00 0.00 H new ATOM 0 HG CYS A 39 0.697 12.552 8.086 1.00 0.00 H new ATOM 602 N PHE A 40 -1.580 9.952 4.773 1.00 0.00 N ATOM 603 CA PHE A 40 -2.242 8.686 5.067 1.00 0.00 C ATOM 604 C PHE A 40 -1.888 8.201 6.470 1.00 0.00 C ATOM 605 O PHE A 40 -0.912 8.655 7.068 1.00 0.00 O ATOM 606 CB PHE A 40 -1.847 7.628 4.035 1.00 0.00 C ATOM 607 CG PHE A 40 -2.433 7.872 2.673 1.00 0.00 C ATOM 608 CD1 PHE A 40 -3.736 7.498 2.388 1.00 0.00 C ATOM 609 CD2 PHE A 40 -1.680 8.475 1.678 1.00 0.00 C ATOM 610 CE1 PHE A 40 -4.277 7.721 1.135 1.00 0.00 C ATOM 611 CE2 PHE A 40 -2.215 8.700 0.424 1.00 0.00 C ATOM 612 CZ PHE A 40 -3.516 8.323 0.153 1.00 0.00 C ATOM 0 H PHE A 40 -0.697 9.860 4.270 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.319 8.847 5.018 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.760 7.598 3.954 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -2.167 6.648 4.390 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.336 7.027 3.153 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.663 8.773 1.885 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -5.294 7.424 0.925 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.617 9.170 -0.343 1.00 0.00 H new ATOM 0 HZ PHE A 40 -3.937 8.499 -0.826 1.00 0.00 H new ATOM 622 N ASP A 41 -2.688 7.276 6.989 1.00 0.00 N ATOM 623 CA ASP A 41 -2.461 6.728 8.321 1.00 0.00 C ATOM 624 C ASP A 41 -1.185 5.892 8.354 1.00 0.00 C ATOM 625 O ASP A 41 -0.504 5.739 7.339 1.00 0.00 O ATOM 626 CB ASP A 41 -3.654 5.877 8.756 1.00 0.00 C ATOM 627 CG ASP A 41 -3.701 5.670 10.257 1.00 0.00 C ATOM 628 OD1 ASP A 41 -4.042 6.630 10.978 1.00 0.00 O ATOM 629 OD2 ASP A 41 -3.395 4.547 10.711 1.00 0.00 O ATOM 0 H ASP A 41 -3.500 6.890 6.507 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.347 7.561 9.015 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.577 6.356 8.429 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.605 4.908 8.260 1.00 0.00 H new ATOM 634 N LYS A 42 -0.866 5.354 9.526 1.00 0.00 N ATOM 635 CA LYS A 42 0.327 4.533 9.693 1.00 0.00 C ATOM 636 C LYS A 42 0.142 3.165 9.044 1.00 0.00 C ATOM 637 O LYS A 42 1.082 2.600 8.487 1.00 0.00 O ATOM 638 CB LYS A 42 0.652 4.365 11.179 1.00 0.00 C ATOM 639 CG LYS A 42 -0.436 3.651 11.962 1.00 0.00 C ATOM 640 CD LYS A 42 -0.236 3.804 13.460 1.00 0.00 C ATOM 641 CE LYS A 42 -1.431 3.276 14.239 1.00 0.00 C ATOM 642 NZ LYS A 42 -1.388 1.794 14.383 1.00 0.00 N ATOM 0 H LYS A 42 -1.418 5.472 10.376 1.00 0.00 H new ATOM 0 HA LYS A 42 1.157 5.039 9.201 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.584 3.809 11.278 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.819 5.348 11.619 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.410 4.051 11.681 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.439 2.593 11.701 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.663 3.269 13.765 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -0.079 4.855 13.702 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.453 3.736 15.227 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.352 3.565 13.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.219 1.473 14.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.393 1.353 13.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.522 1.519 14.889 1.00 0.00 H new ATOM 656 N MET A 43 -1.077 2.640 9.118 1.00 0.00 N ATOM 657 CA MET A 43 -1.385 1.340 8.536 1.00 0.00 C ATOM 658 C MET A 43 -1.499 1.437 7.018 1.00 0.00 C ATOM 659 O MET A 43 -1.062 0.543 6.292 1.00 0.00 O ATOM 660 CB MET A 43 -2.687 0.790 9.122 1.00 0.00 C ATOM 661 CG MET A 43 -2.677 0.693 10.639 1.00 0.00 C ATOM 662 SD MET A 43 -3.728 -0.635 11.257 1.00 0.00 S ATOM 663 CE MET A 43 -2.508 -1.711 12.006 1.00 0.00 C ATOM 0 H MET A 43 -1.867 3.095 9.575 1.00 0.00 H new ATOM 0 HA MET A 43 -0.569 0.659 8.779 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.514 1.429 8.812 1.00 0.00 H new ATOM 0 HB3 MET A 43 -2.875 -0.199 8.704 1.00 0.00 H new ATOM 0 HG2 MET A 43 -1.655 0.532 10.982 1.00 0.00 H new ATOM 0 HG3 MET A 43 -3.009 1.641 11.062 1.00 0.00 H new ATOM 0 HE1 MET A 43 -3.005 -2.582 12.434 1.00 0.00 H new ATOM 0 HE2 MET A 43 -1.795 -2.036 11.248 1.00 0.00 H new ATOM 0 HE3 MET A 43 -1.980 -1.171 12.792 1.00 0.00 H new ATOM 673 N THR A 44 -2.090 2.529 6.542 1.00 0.00 N ATOM 674 CA THR A 44 -2.263 2.743 5.110 1.00 0.00 C ATOM 675 C THR A 44 -0.950 3.156 4.454 1.00 0.00 C ATOM 676 O THR A 44 -0.638 2.725 3.345 1.00 0.00 O ATOM 677 CB THR A 44 -3.326 3.820 4.827 1.00 0.00 C ATOM 678 OG1 THR A 44 -4.574 3.444 5.420 1.00 0.00 O ATOM 679 CG2 THR A 44 -3.509 4.020 3.331 1.00 0.00 C ATOM 0 H THR A 44 -2.457 3.279 7.128 1.00 0.00 H new ATOM 0 HA THR A 44 -2.596 1.795 4.687 1.00 0.00 H new ATOM 0 HB THR A 44 -2.985 4.759 5.263 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.244 4.135 5.237 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.265 4.786 3.156 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.564 4.335 2.888 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.829 3.083 2.875 1.00 0.00 H new ATOM 687 N ASN A 45 -0.185 3.993 5.147 1.00 0.00 N ATOM 688 CA ASN A 45 1.095 4.464 4.631 1.00 0.00 C ATOM 689 C ASN A 45 1.838 3.342 3.913 1.00 0.00 C ATOM 690 O ASN A 45 2.325 3.520 2.797 1.00 0.00 O ATOM 691 CB ASN A 45 1.956 5.015 5.769 1.00 0.00 C ATOM 692 CG ASN A 45 3.397 5.235 5.350 1.00 0.00 C ATOM 693 OD1 ASN A 45 4.022 4.358 4.753 1.00 0.00 O ATOM 694 ND2 ASN A 45 3.931 6.410 5.662 1.00 0.00 N ATOM 0 H ASN A 45 -0.429 4.359 6.067 1.00 0.00 H new ATOM 0 HA ASN A 45 0.898 5.262 3.915 1.00 0.00 H new ATOM 0 HB2 ASN A 45 1.534 5.958 6.117 1.00 0.00 H new ATOM 0 HB3 ASN A 45 1.927 4.323 6.611 1.00 0.00 H new ATOM 0 HD21 ASN A 45 4.897 6.615 5.406 1.00 0.00 H new ATOM 0 HD22 ASN A 45 3.375 7.107 6.158 1.00 0.00 H new ATOM 701 N MET A 46 1.921 2.185 4.562 1.00 0.00 N ATOM 702 CA MET A 46 2.604 1.033 3.985 1.00 0.00 C ATOM 703 C MET A 46 1.776 0.417 2.861 1.00 0.00 C ATOM 704 O MET A 46 2.315 0.006 1.833 1.00 0.00 O ATOM 705 CB MET A 46 2.879 -0.017 5.064 1.00 0.00 C ATOM 706 CG MET A 46 1.737 -1.000 5.261 1.00 0.00 C ATOM 707 SD MET A 46 2.011 -2.112 6.654 1.00 0.00 S ATOM 708 CE MET A 46 1.408 -1.109 8.011 1.00 0.00 C ATOM 0 H MET A 46 1.524 2.021 5.487 1.00 0.00 H new ATOM 0 HA MET A 46 3.552 1.375 3.570 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.781 -0.569 4.800 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.079 0.489 6.009 1.00 0.00 H new ATOM 0 HG2 MET A 46 0.810 -0.448 5.419 1.00 0.00 H new ATOM 0 HG3 MET A 46 1.607 -1.587 4.352 1.00 0.00 H new ATOM 0 HE1 MET A 46 2.053 -1.246 8.879 1.00 0.00 H new ATOM 0 HE2 MET A 46 1.412 -0.059 7.717 1.00 0.00 H new ATOM 0 HE3 MET A 46 0.392 -1.411 8.263 1.00 0.00 H new ATOM 718 N LYS A 47 0.464 0.358 3.062 1.00 0.00 N ATOM 719 CA LYS A 47 -0.438 -0.206 2.066 1.00 0.00 C ATOM 720 C LYS A 47 -0.148 0.368 0.682 1.00 0.00 C ATOM 721 O LYS A 47 -0.482 -0.240 -0.336 1.00 0.00 O ATOM 722 CB LYS A 47 -1.893 0.072 2.450 1.00 0.00 C ATOM 723 CG LYS A 47 -2.414 -0.834 3.553 1.00 0.00 C ATOM 724 CD LYS A 47 -3.920 -0.704 3.716 1.00 0.00 C ATOM 725 CE LYS A 47 -4.384 -1.248 5.058 1.00 0.00 C ATOM 726 NZ LYS A 47 -4.617 -2.718 5.011 1.00 0.00 N ATOM 0 H LYS A 47 0.002 0.694 3.907 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.276 -1.283 2.035 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.984 1.110 2.770 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.522 -0.045 1.567 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.160 -1.869 3.325 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.922 -0.584 4.493 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.208 0.344 3.628 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.422 -1.241 2.911 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.637 -1.023 5.819 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.304 -0.744 5.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.932 -3.050 5.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.348 -2.931 4.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.733 -3.201 4.752 1.00 0.00 H new ATOM 740 N LEU A 48 0.475 1.541 0.652 1.00 0.00 N ATOM 741 CA LEU A 48 0.812 2.196 -0.607 1.00 0.00 C ATOM 742 C LEU A 48 2.222 1.825 -1.054 1.00 0.00 C ATOM 743 O LEU A 48 2.418 1.305 -2.152 1.00 0.00 O ATOM 744 CB LEU A 48 0.693 3.714 -0.461 1.00 0.00 C ATOM 745 CG LEU A 48 -0.693 4.248 -0.097 1.00 0.00 C ATOM 746 CD1 LEU A 48 -0.612 5.712 0.306 1.00 0.00 C ATOM 747 CD2 LEU A 48 -1.657 4.065 -1.261 1.00 0.00 C ATOM 0 H LEU A 48 0.757 2.058 1.485 1.00 0.00 H new ATOM 0 HA LEU A 48 0.109 1.854 -1.367 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.398 4.042 0.303 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.003 4.174 -1.399 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.069 3.679 0.753 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.608 6.075 0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.045 5.816 1.170 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.215 6.296 -0.524 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.638 4.450 -0.985 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.285 4.608 -2.130 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.738 3.005 -1.503 1.00 0.00 H new ATOM 759 N GLU A 49 3.200 2.094 -0.195 1.00 0.00 N ATOM 760 CA GLU A 49 4.592 1.786 -0.502 1.00 0.00 C ATOM 761 C GLU A 49 4.738 0.344 -0.978 1.00 0.00 C ATOM 762 O GLU A 49 5.485 0.060 -1.915 1.00 0.00 O ATOM 763 CB GLU A 49 5.472 2.021 0.727 1.00 0.00 C ATOM 764 CG GLU A 49 5.582 0.809 1.638 1.00 0.00 C ATOM 765 CD GLU A 49 6.596 1.004 2.748 1.00 0.00 C ATOM 766 OE1 GLU A 49 7.759 1.336 2.437 1.00 0.00 O ATOM 767 OE2 GLU A 49 6.227 0.823 3.927 1.00 0.00 O ATOM 0 H GLU A 49 3.054 2.524 0.718 1.00 0.00 H new ATOM 0 HA GLU A 49 4.916 2.449 -1.304 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.470 2.310 0.399 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.069 2.858 1.297 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.606 0.598 2.075 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.861 -0.062 1.045 1.00 0.00 H new ATOM 774 N VAL A 50 4.020 -0.564 -0.325 1.00 0.00 N ATOM 775 CA VAL A 50 4.068 -1.977 -0.681 1.00 0.00 C ATOM 776 C VAL A 50 3.664 -2.192 -2.136 1.00 0.00 C ATOM 777 O VAL A 50 4.197 -3.068 -2.816 1.00 0.00 O ATOM 778 CB VAL A 50 3.147 -2.816 0.225 1.00 0.00 C ATOM 779 CG1 VAL A 50 3.736 -2.934 1.622 1.00 0.00 C ATOM 780 CG2 VAL A 50 1.753 -2.210 0.274 1.00 0.00 C ATOM 0 H VAL A 50 3.398 -0.346 0.454 1.00 0.00 H new ATOM 0 HA VAL A 50 5.099 -2.303 -0.541 1.00 0.00 H new ATOM 0 HB VAL A 50 3.068 -3.819 -0.195 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.072 -3.530 2.248 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.712 -3.417 1.566 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.847 -1.940 2.055 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.116 -2.815 0.918 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.811 -1.196 0.670 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.332 -2.184 -0.731 1.00 0.00 H new ATOM 790 N ALA A 51 2.719 -1.385 -2.607 1.00 0.00 N ATOM 791 CA ALA A 51 2.245 -1.485 -3.982 1.00 0.00 C ATOM 792 C ALA A 51 3.237 -0.850 -4.951 1.00 0.00 C ATOM 793 O ALA A 51 3.354 -1.276 -6.100 1.00 0.00 O ATOM 794 CB ALA A 51 0.879 -0.830 -4.118 1.00 0.00 C ATOM 0 H ALA A 51 2.267 -0.655 -2.057 1.00 0.00 H new ATOM 0 HA ALA A 51 2.156 -2.542 -4.234 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.537 -0.912 -5.150 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.169 -1.330 -3.460 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.951 0.222 -3.842 1.00 0.00 H new ATOM 800 N TRP A 52 3.947 0.169 -4.481 1.00 0.00 N ATOM 801 CA TRP A 52 4.928 0.862 -5.308 1.00 0.00 C ATOM 802 C TRP A 52 6.204 0.039 -5.445 1.00 0.00 C ATOM 803 O TRP A 52 6.878 0.086 -6.474 1.00 0.00 O ATOM 804 CB TRP A 52 5.252 2.232 -4.711 1.00 0.00 C ATOM 805 CG TRP A 52 6.118 3.077 -5.596 1.00 0.00 C ATOM 806 CD1 TRP A 52 5.741 4.193 -6.286 1.00 0.00 C ATOM 807 CD2 TRP A 52 7.505 2.871 -5.887 1.00 0.00 C ATOM 808 NE1 TRP A 52 6.811 4.694 -6.989 1.00 0.00 N ATOM 809 CE2 TRP A 52 7.904 3.902 -6.760 1.00 0.00 C ATOM 810 CE3 TRP A 52 8.448 1.919 -5.493 1.00 0.00 C ATOM 811 CZ2 TRP A 52 9.205 4.003 -7.245 1.00 0.00 C ATOM 812 CZ3 TRP A 52 9.739 2.021 -5.975 1.00 0.00 C ATOM 813 CH2 TRP A 52 10.108 3.057 -6.843 1.00 0.00 C ATOM 0 H TRP A 52 3.862 0.534 -3.532 1.00 0.00 H new ATOM 0 HA TRP A 52 4.498 0.998 -6.300 1.00 0.00 H new ATOM 0 HB2 TRP A 52 4.321 2.763 -4.512 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.751 2.093 -3.752 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.749 4.619 -6.280 1.00 0.00 H new ATOM 0 HE1 TRP A 52 6.793 5.522 -7.585 1.00 0.00 H new ATOM 0 HE3 TRP A 52 8.173 1.117 -4.824 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 9.491 4.800 -7.915 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 10.476 1.290 -5.678 1.00 0.00 H new ATOM 0 HH2 TRP A 52 11.125 3.110 -7.202 1.00 0.00 H new ATOM 824 N LYS A 53 6.531 -0.716 -4.401 1.00 0.00 N ATOM 825 CA LYS A 53 7.725 -1.552 -4.405 1.00 0.00 C ATOM 826 C LYS A 53 7.440 -2.906 -5.047 1.00 0.00 C ATOM 827 O LYS A 53 8.319 -3.508 -5.663 1.00 0.00 O ATOM 828 CB LYS A 53 8.238 -1.750 -2.977 1.00 0.00 C ATOM 829 CG LYS A 53 8.680 -0.462 -2.304 1.00 0.00 C ATOM 830 CD LYS A 53 10.070 -0.045 -2.756 1.00 0.00 C ATOM 831 CE LYS A 53 11.145 -0.920 -2.129 1.00 0.00 C ATOM 832 NZ LYS A 53 12.483 -0.673 -2.734 1.00 0.00 N ATOM 0 H LYS A 53 5.985 -0.766 -3.541 1.00 0.00 H new ATOM 0 HA LYS A 53 8.491 -1.046 -4.993 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.452 -2.211 -2.379 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.076 -2.447 -2.995 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.969 0.332 -2.533 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.673 -0.595 -1.222 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.135 -0.109 -3.842 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.244 0.997 -2.487 1.00 0.00 H new ATOM 0 HE2 LYS A 53 11.190 -0.728 -1.057 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.878 -1.969 -2.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 13.188 -1.288 -2.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.447 -0.880 -3.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.750 0.322 -2.593 1.00 0.00 H new ATOM 846 N ALA A 54 6.206 -3.377 -4.900 1.00 0.00 N ATOM 847 CA ALA A 54 5.805 -4.658 -5.468 1.00 0.00 C ATOM 848 C ALA A 54 5.477 -4.521 -6.951 1.00 0.00 C ATOM 849 O ALA A 54 4.865 -5.408 -7.547 1.00 0.00 O ATOM 850 CB ALA A 54 4.611 -5.220 -4.712 1.00 0.00 C ATOM 0 H ALA A 54 5.467 -2.891 -4.392 1.00 0.00 H new ATOM 0 HA ALA A 54 6.642 -5.350 -5.369 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.322 -6.177 -5.147 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.878 -5.363 -3.665 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.776 -4.523 -4.781 1.00 0.00 H new ATOM 856 N LYS A 55 5.888 -3.405 -7.543 1.00 0.00 N ATOM 857 CA LYS A 55 5.639 -3.152 -8.957 1.00 0.00 C ATOM 858 C LYS A 55 4.164 -3.346 -9.293 1.00 0.00 C ATOM 859 O LYS A 55 3.821 -3.865 -10.356 1.00 0.00 O ATOM 860 CB LYS A 55 6.496 -4.079 -9.821 1.00 0.00 C ATOM 861 CG LYS A 55 7.984 -3.783 -9.740 1.00 0.00 C ATOM 862 CD LYS A 55 8.716 -4.263 -10.982 1.00 0.00 C ATOM 863 CE LYS A 55 8.941 -5.767 -10.950 1.00 0.00 C ATOM 864 NZ LYS A 55 10.005 -6.149 -9.982 1.00 0.00 N ATOM 0 H LYS A 55 6.396 -2.661 -7.065 1.00 0.00 H new ATOM 0 HA LYS A 55 5.908 -2.117 -9.168 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.322 -5.111 -9.515 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.173 -3.996 -10.859 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.137 -2.711 -9.618 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.405 -4.267 -8.859 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.141 -3.999 -11.869 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.676 -3.752 -11.060 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.010 -6.268 -10.683 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.215 -6.114 -11.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.270 -7.143 -10.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.838 -5.543 -10.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.651 -6.028 -9.012 1.00 0.00 H new ATOM 878 N LYS A 56 3.294 -2.925 -8.382 1.00 0.00 N ATOM 879 CA LYS A 56 1.855 -3.049 -8.582 1.00 0.00 C ATOM 880 C LYS A 56 1.328 -1.920 -9.462 1.00 0.00 C ATOM 881 O LYS A 56 1.996 -0.904 -9.653 1.00 0.00 O ATOM 882 CB LYS A 56 1.129 -3.041 -7.234 1.00 0.00 C ATOM 883 CG LYS A 56 1.439 -4.250 -6.369 1.00 0.00 C ATOM 884 CD LYS A 56 0.513 -5.413 -6.684 1.00 0.00 C ATOM 885 CE LYS A 56 0.669 -6.539 -5.673 1.00 0.00 C ATOM 886 NZ LYS A 56 -0.256 -6.380 -4.518 1.00 0.00 N ATOM 0 H LYS A 56 3.561 -2.494 -7.497 1.00 0.00 H new ATOM 0 HA LYS A 56 1.664 -3.997 -9.085 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.401 -2.136 -6.690 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.054 -2.997 -7.410 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.474 -4.555 -6.526 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.342 -3.981 -5.317 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.520 -5.066 -6.687 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.726 -5.789 -7.685 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.479 -7.495 -6.162 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.698 -6.564 -5.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.119 -7.167 -3.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.058 -5.480 -4.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.239 -6.382 -4.858 1.00 0.00 H new ATOM 900 N LYS A 57 0.125 -2.105 -9.995 1.00 0.00 N ATOM 901 CA LYS A 57 -0.494 -1.101 -10.853 1.00 0.00 C ATOM 902 C LYS A 57 -1.276 -0.086 -10.026 1.00 0.00 C ATOM 903 O LYS A 57 -1.318 1.099 -10.359 1.00 0.00 O ATOM 904 CB LYS A 57 -1.422 -1.771 -11.869 1.00 0.00 C ATOM 905 CG LYS A 57 -1.628 -0.956 -13.134 1.00 0.00 C ATOM 906 CD LYS A 57 -2.741 0.065 -12.964 1.00 0.00 C ATOM 907 CE LYS A 57 -4.105 -0.545 -13.247 1.00 0.00 C ATOM 908 NZ LYS A 57 -4.392 -0.609 -14.707 1.00 0.00 N ATOM 0 H LYS A 57 -0.441 -2.941 -9.848 1.00 0.00 H new ATOM 0 HA LYS A 57 0.299 -0.575 -11.386 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.011 -2.745 -12.137 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.390 -1.951 -11.401 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.701 -0.445 -13.394 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.868 -1.623 -13.962 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.722 0.460 -11.948 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.571 0.906 -13.636 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.149 -1.549 -12.824 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.876 0.044 -12.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.331 -1.031 -14.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.375 0.351 -15.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.671 -1.192 -15.177 1.00 0.00 H new ATOM 922 N ASP A 58 -1.892 -0.557 -8.948 1.00 0.00 N ATOM 923 CA ASP A 58 -2.671 0.310 -8.072 1.00 0.00 C ATOM 924 C ASP A 58 -3.113 -0.439 -6.818 1.00 0.00 C ATOM 925 O ASP A 58 -3.255 -1.662 -6.830 1.00 0.00 O ATOM 926 CB ASP A 58 -3.893 0.855 -8.813 1.00 0.00 C ATOM 927 CG ASP A 58 -4.775 -0.248 -9.363 1.00 0.00 C ATOM 928 OD1 ASP A 58 -4.711 -1.378 -8.836 1.00 0.00 O ATOM 929 OD2 ASP A 58 -5.530 0.018 -10.322 1.00 0.00 O ATOM 0 H ASP A 58 -1.867 -1.535 -8.659 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.037 1.144 -7.771 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.476 1.479 -8.136 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.563 1.495 -9.632 1.00 0.00 H new ATOM 934 N THR A 59 -3.328 0.303 -5.736 1.00 0.00 N ATOM 935 CA THR A 59 -3.751 -0.290 -4.474 1.00 0.00 C ATOM 936 C THR A 59 -4.982 0.417 -3.920 1.00 0.00 C ATOM 937 O THR A 59 -5.067 1.645 -3.938 1.00 0.00 O ATOM 938 CB THR A 59 -2.626 -0.237 -3.423 1.00 0.00 C ATOM 939 OG1 THR A 59 -3.055 -0.872 -2.214 1.00 0.00 O ATOM 940 CG2 THR A 59 -2.226 1.202 -3.132 1.00 0.00 C ATOM 0 H THR A 59 -3.216 1.316 -5.709 1.00 0.00 H new ATOM 0 HA THR A 59 -3.996 -1.332 -4.681 1.00 0.00 H new ATOM 0 HB THR A 59 -1.760 -0.765 -3.822 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.290 -0.979 -1.611 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.430 1.215 -2.387 1.00 0.00 H new ATOM 0 HG22 THR A 59 -1.873 1.674 -4.049 1.00 0.00 H new ATOM 0 HG23 THR A 59 -3.088 1.749 -2.751 1.00 0.00 H new ATOM 948 N VAL A 60 -5.937 -0.366 -3.427 1.00 0.00 N ATOM 949 CA VAL A 60 -7.164 0.185 -2.865 1.00 0.00 C ATOM 950 C VAL A 60 -6.995 0.506 -1.384 1.00 0.00 C ATOM 951 O VAL A 60 -6.376 -0.254 -0.640 1.00 0.00 O ATOM 952 CB VAL A 60 -8.346 -0.787 -3.036 1.00 0.00 C ATOM 953 CG1 VAL A 60 -9.461 -0.450 -2.058 1.00 0.00 C ATOM 954 CG2 VAL A 60 -8.856 -0.757 -4.469 1.00 0.00 C ATOM 0 H VAL A 60 -5.884 -1.384 -3.406 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.377 1.104 -3.411 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.998 -1.797 -2.819 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.287 -1.148 -2.194 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.085 -0.527 -1.038 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -9.810 0.566 -2.241 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -9.691 -1.450 -4.573 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -9.188 0.251 -4.716 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.055 -1.051 -5.147 1.00 0.00 H new ATOM 964 N VAL A 61 -7.550 1.638 -0.962 1.00 0.00 N ATOM 965 CA VAL A 61 -7.462 2.060 0.431 1.00 0.00 C ATOM 966 C VAL A 61 -8.738 2.767 0.872 1.00 0.00 C ATOM 967 O VAL A 61 -9.456 3.341 0.053 1.00 0.00 O ATOM 968 CB VAL A 61 -6.263 3.000 0.658 1.00 0.00 C ATOM 969 CG1 VAL A 61 -4.961 2.301 0.297 1.00 0.00 C ATOM 970 CG2 VAL A 61 -6.431 4.281 -0.145 1.00 0.00 C ATOM 0 H VAL A 61 -8.065 2.279 -1.565 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.325 1.158 1.027 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.225 3.264 1.715 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.125 2.980 0.464 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.839 1.415 0.920 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.985 2.006 -0.752 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.575 4.933 0.027 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.495 4.040 -1.206 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.343 4.789 0.167 1.00 0.00 H new ATOM 980 N GLN A 62 -9.015 2.721 2.171 1.00 0.00 N ATOM 981 CA GLN A 62 -10.206 3.357 2.722 1.00 0.00 C ATOM 982 C GLN A 62 -9.954 4.835 2.999 1.00 0.00 C ATOM 983 O GLN A 62 -9.296 5.190 3.977 1.00 0.00 O ATOM 984 CB GLN A 62 -10.639 2.651 4.007 1.00 0.00 C ATOM 985 CG GLN A 62 -11.200 1.257 3.777 1.00 0.00 C ATOM 986 CD GLN A 62 -10.115 0.214 3.599 1.00 0.00 C ATOM 987 OE1 GLN A 62 -9.107 0.221 4.307 1.00 0.00 O ATOM 988 NE2 GLN A 62 -10.314 -0.693 2.649 1.00 0.00 N ATOM 0 H GLN A 62 -8.431 2.250 2.862 1.00 0.00 H new ATOM 0 HA GLN A 62 -11.005 3.275 1.985 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.784 2.583 4.680 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -11.392 3.258 4.509 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.831 0.979 4.622 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.837 1.267 2.893 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.163 -0.663 2.085 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -9.618 -1.420 2.484 1.00 0.00 H new ATOM 997 N ILE A 63 -10.482 5.693 2.132 1.00 0.00 N ATOM 998 CA ILE A 63 -10.315 7.133 2.285 1.00 0.00 C ATOM 999 C ILE A 63 -11.658 7.823 2.495 1.00 0.00 C ATOM 1000 O ILE A 63 -12.566 7.701 1.673 1.00 0.00 O ATOM 1001 CB ILE A 63 -9.618 7.752 1.059 1.00 0.00 C ATOM 1002 CG1 ILE A 63 -8.196 7.205 0.923 1.00 0.00 C ATOM 1003 CG2 ILE A 63 -9.600 9.269 1.170 1.00 0.00 C ATOM 1004 CD1 ILE A 63 -7.468 7.711 -0.303 1.00 0.00 C ATOM 0 H ILE A 63 -11.029 5.416 1.317 1.00 0.00 H new ATOM 0 HA ILE A 63 -9.689 7.287 3.164 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.178 7.479 0.165 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -7.625 7.475 1.812 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.236 6.116 0.888 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.104 9.692 0.296 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.623 9.642 1.223 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -9.060 9.562 2.071 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.466 7.282 -0.334 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -8.016 7.418 -1.198 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -7.396 8.798 -0.261 1.00 0.00 H new ATOM 1016 N HIS A 64 -11.777 8.551 3.601 1.00 0.00 N ATOM 1017 CA HIS A 64 -13.009 9.264 3.919 1.00 0.00 C ATOM 1018 C HIS A 64 -14.163 8.287 4.129 1.00 0.00 C ATOM 1019 O HIS A 64 -15.298 8.561 3.742 1.00 0.00 O ATOM 1020 CB HIS A 64 -13.356 10.248 2.801 1.00 0.00 C ATOM 1021 CG HIS A 64 -12.346 11.340 2.631 1.00 0.00 C ATOM 1022 ND1 HIS A 64 -12.665 12.593 2.150 1.00 0.00 N ATOM 1023 CD2 HIS A 64 -11.016 11.363 2.881 1.00 0.00 C ATOM 1024 CE1 HIS A 64 -11.575 13.338 2.111 1.00 0.00 C ATOM 1025 NE2 HIS A 64 -10.560 12.616 2.550 1.00 0.00 N ATOM 0 H HIS A 64 -11.035 8.663 4.292 1.00 0.00 H new ATOM 0 HA HIS A 64 -12.851 9.818 4.845 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -13.449 9.701 1.863 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -14.329 10.693 3.009 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -10.423 10.548 3.269 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -11.523 14.364 1.777 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -9.595 12.936 2.630 1.00 0.00 H new ATOM 1034 N ASN A 65 -13.863 7.148 4.744 1.00 0.00 N ATOM 1035 CA ASN A 65 -14.875 6.130 5.004 1.00 0.00 C ATOM 1036 C ASN A 65 -15.418 5.557 3.698 1.00 0.00 C ATOM 1037 O ASN A 65 -16.558 5.099 3.638 1.00 0.00 O ATOM 1038 CB ASN A 65 -16.020 6.720 5.830 1.00 0.00 C ATOM 1039 CG ASN A 65 -15.552 7.248 7.172 1.00 0.00 C ATOM 1040 OD1 ASN A 65 -14.395 7.068 7.554 1.00 0.00 O ATOM 1041 ND2 ASN A 65 -16.452 7.903 7.896 1.00 0.00 N ATOM 0 H ASN A 65 -12.928 6.906 5.072 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.407 5.323 5.568 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.491 7.527 5.269 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.781 5.956 5.989 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -16.196 8.281 8.808 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -17.400 8.029 7.540 1.00 0.00 H new ATOM 1048 N GLN A 66 -14.592 5.585 2.657 1.00 0.00 N ATOM 1049 CA GLN A 66 -14.989 5.068 1.353 1.00 0.00 C ATOM 1050 C GLN A 66 -13.795 4.467 0.619 1.00 0.00 C ATOM 1051 O GLN A 66 -12.728 5.077 0.546 1.00 0.00 O ATOM 1052 CB GLN A 66 -15.616 6.179 0.510 1.00 0.00 C ATOM 1053 CG GLN A 66 -15.019 7.552 0.772 1.00 0.00 C ATOM 1054 CD GLN A 66 -15.978 8.679 0.439 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -17.193 8.484 0.401 1.00 0.00 O ATOM 1056 NE2 GLN A 66 -15.435 9.866 0.196 1.00 0.00 N ATOM 0 H GLN A 66 -13.644 5.960 2.691 1.00 0.00 H new ATOM 0 HA GLN A 66 -15.727 4.282 1.511 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -15.495 5.935 -0.545 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -16.687 6.214 0.709 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -14.730 7.624 1.820 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -14.110 7.667 0.182 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -14.423 9.982 0.239 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -16.030 10.662 -0.033 1.00 0.00 H new ATOM 1065 N ASP A 67 -13.982 3.270 0.075 1.00 0.00 N ATOM 1066 CA ASP A 67 -12.920 2.587 -0.655 1.00 0.00 C ATOM 1067 C ASP A 67 -12.497 3.393 -1.879 1.00 0.00 C ATOM 1068 O ASP A 67 -13.336 3.842 -2.660 1.00 0.00 O ATOM 1069 CB ASP A 67 -13.381 1.192 -1.081 1.00 0.00 C ATOM 1070 CG ASP A 67 -14.849 1.158 -1.460 1.00 0.00 C ATOM 1071 OD1 ASP A 67 -15.281 2.031 -2.241 1.00 0.00 O ATOM 1072 OD2 ASP A 67 -15.565 0.257 -0.976 1.00 0.00 O ATOM 0 H ASP A 67 -14.859 2.752 0.126 1.00 0.00 H new ATOM 0 HA ASP A 67 -12.060 2.490 0.008 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -12.782 0.858 -1.928 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -13.202 0.489 -0.267 1.00 0.00 H new ATOM 1077 N PHE A 68 -11.190 3.573 -2.039 1.00 0.00 N ATOM 1078 CA PHE A 68 -10.655 4.327 -3.167 1.00 0.00 C ATOM 1079 C PHE A 68 -9.561 3.537 -3.879 1.00 0.00 C ATOM 1080 O PHE A 68 -8.930 2.658 -3.291 1.00 0.00 O ATOM 1081 CB PHE A 68 -10.102 5.672 -2.692 1.00 0.00 C ATOM 1082 CG PHE A 68 -11.104 6.789 -2.758 1.00 0.00 C ATOM 1083 CD1 PHE A 68 -12.360 6.646 -2.188 1.00 0.00 C ATOM 1084 CD2 PHE A 68 -10.791 7.983 -3.388 1.00 0.00 C ATOM 1085 CE1 PHE A 68 -13.284 7.672 -2.248 1.00 0.00 C ATOM 1086 CE2 PHE A 68 -11.711 9.012 -3.451 1.00 0.00 C ATOM 1087 CZ PHE A 68 -12.959 8.857 -2.879 1.00 0.00 C ATOM 0 H PHE A 68 -10.482 3.207 -1.402 1.00 0.00 H new ATOM 0 HA PHE A 68 -11.467 4.505 -3.872 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -9.751 5.569 -1.665 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -9.236 5.935 -3.300 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -12.619 5.722 -1.692 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -9.816 8.111 -3.835 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -14.260 7.547 -1.802 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -11.455 9.937 -3.947 1.00 0.00 H new ATOM 0 HZ PHE A 68 -13.679 9.661 -2.925 1.00 0.00 H new ATOM 1097 N THR A 69 -9.341 3.857 -5.151 1.00 0.00 N ATOM 1098 CA THR A 69 -8.326 3.177 -5.945 1.00 0.00 C ATOM 1099 C THR A 69 -7.120 4.079 -6.182 1.00 0.00 C ATOM 1100 O THR A 69 -7.195 5.047 -6.939 1.00 0.00 O ATOM 1101 CB THR A 69 -8.888 2.721 -7.304 1.00 0.00 C ATOM 1102 OG1 THR A 69 -10.052 1.911 -7.107 1.00 0.00 O ATOM 1103 CG2 THR A 69 -7.844 1.936 -8.085 1.00 0.00 C ATOM 0 H THR A 69 -9.853 4.583 -5.653 1.00 0.00 H new ATOM 0 HA THR A 69 -8.015 2.300 -5.378 1.00 0.00 H new ATOM 0 HB THR A 69 -9.157 3.608 -7.877 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.404 1.627 -7.976 1.00 0.00 H new ATOM 0 HG21 THR A 69 -8.264 1.624 -9.041 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.971 2.565 -8.259 1.00 0.00 H new ATOM 0 HG23 THR A 69 -7.549 1.056 -7.514 1.00 0.00 H new ATOM 1111 N VAL A 70 -6.006 3.754 -5.533 1.00 0.00 N ATOM 1112 CA VAL A 70 -4.783 4.534 -5.675 1.00 0.00 C ATOM 1113 C VAL A 70 -3.894 3.965 -6.776 1.00 0.00 C ATOM 1114 O VAL A 70 -3.373 2.856 -6.657 1.00 0.00 O ATOM 1115 CB VAL A 70 -3.986 4.574 -4.358 1.00 0.00 C ATOM 1116 CG1 VAL A 70 -2.642 5.255 -4.567 1.00 0.00 C ATOM 1117 CG2 VAL A 70 -4.787 5.279 -3.273 1.00 0.00 C ATOM 0 H VAL A 70 -5.926 2.955 -4.904 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.083 5.548 -5.940 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.800 3.550 -4.034 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.093 5.274 -3.625 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.067 4.704 -5.311 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.801 6.276 -4.914 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.209 5.299 -2.349 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.004 6.300 -3.587 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.722 4.744 -3.105 1.00 0.00 H new ATOM 1127 N ASP A 71 -3.724 4.733 -7.847 1.00 0.00 N ATOM 1128 CA ASP A 71 -2.897 4.307 -8.970 1.00 0.00 C ATOM 1129 C ASP A 71 -1.464 4.806 -8.808 1.00 0.00 C ATOM 1130 O ASP A 71 -1.220 6.011 -8.730 1.00 0.00 O ATOM 1131 CB ASP A 71 -3.483 4.819 -10.286 1.00 0.00 C ATOM 1132 CG ASP A 71 -3.147 3.918 -11.458 1.00 0.00 C ATOM 1133 OD1 ASP A 71 -1.945 3.741 -11.744 1.00 0.00 O ATOM 1134 OD2 ASP A 71 -4.087 3.392 -12.091 1.00 0.00 O ATOM 0 H ASP A 71 -4.148 5.654 -7.961 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.884 3.217 -8.988 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.566 4.899 -10.192 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.105 5.822 -10.483 1.00 0.00 H new ATOM 1139 N LEU A 72 -0.520 3.873 -8.759 1.00 0.00 N ATOM 1140 CA LEU A 72 0.889 4.217 -8.606 1.00 0.00 C ATOM 1141 C LEU A 72 1.456 4.782 -9.904 1.00 0.00 C ATOM 1142 O LEU A 72 2.217 5.749 -9.893 1.00 0.00 O ATOM 1143 CB LEU A 72 1.692 2.987 -8.178 1.00 0.00 C ATOM 1144 CG LEU A 72 1.180 2.249 -6.941 1.00 0.00 C ATOM 1145 CD1 LEU A 72 1.558 0.777 -7.003 1.00 0.00 C ATOM 1146 CD2 LEU A 72 1.726 2.889 -5.673 1.00 0.00 C ATOM 0 H LEU A 72 -0.705 2.872 -8.823 1.00 0.00 H new ATOM 0 HA LEU A 72 0.968 4.982 -7.833 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.715 2.285 -9.012 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.721 3.296 -7.992 1.00 0.00 H new ATOM 0 HG LEU A 72 0.093 2.323 -6.922 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.185 0.268 -6.114 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.117 0.325 -7.892 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.643 0.682 -7.048 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.351 2.350 -4.803 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.815 2.847 -5.684 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.404 3.929 -5.623 1.00 0.00 H new ATOM 1158 N SER A 73 1.078 4.172 -11.023 1.00 0.00 N ATOM 1159 CA SER A 73 1.550 4.612 -12.331 1.00 0.00 C ATOM 1160 C SER A 73 1.495 6.133 -12.444 1.00 0.00 C ATOM 1161 O SER A 73 2.499 6.783 -12.738 1.00 0.00 O ATOM 1162 CB SER A 73 0.710 3.976 -13.441 1.00 0.00 C ATOM 1163 OG SER A 73 1.437 3.910 -14.656 1.00 0.00 O ATOM 0 H SER A 73 0.446 3.372 -11.050 1.00 0.00 H new ATOM 0 HA SER A 73 2.586 4.293 -12.442 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.405 2.974 -13.141 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.201 4.556 -13.590 1.00 0.00 H new ATOM 0 HG SER A 73 0.879 3.498 -15.349 1.00 0.00 H new ATOM 1169 N THR A 74 0.313 6.695 -12.209 1.00 0.00 N ATOM 1170 CA THR A 74 0.125 8.138 -12.285 1.00 0.00 C ATOM 1171 C THR A 74 0.200 8.776 -10.903 1.00 0.00 C ATOM 1172 O THR A 74 0.447 9.975 -10.775 1.00 0.00 O ATOM 1173 CB THR A 74 -1.228 8.495 -12.930 1.00 0.00 C ATOM 1174 OG1 THR A 74 -1.359 9.916 -13.040 1.00 0.00 O ATOM 1175 CG2 THR A 74 -2.382 7.936 -12.112 1.00 0.00 C ATOM 0 H THR A 74 -0.528 6.172 -11.965 1.00 0.00 H new ATOM 0 HA THR A 74 0.930 8.529 -12.907 1.00 0.00 H new ATOM 0 HB THR A 74 -1.259 8.050 -13.925 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.221 10.134 -13.452 1.00 0.00 H new ATOM 0 HG21 THR A 74 -3.327 8.201 -12.587 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.296 6.851 -12.056 1.00 0.00 H new ATOM 0 HG23 THR A 74 -2.352 8.355 -11.106 1.00 0.00 H new ATOM 1183 N ASN A 75 -0.015 7.967 -9.870 1.00 0.00 N ATOM 1184 CA ASN A 75 0.029 8.454 -8.496 1.00 0.00 C ATOM 1185 C ASN A 75 -1.184 9.327 -8.190 1.00 0.00 C ATOM 1186 O ASN A 75 -1.051 10.436 -7.671 1.00 0.00 O ATOM 1187 CB ASN A 75 1.315 9.246 -8.254 1.00 0.00 C ATOM 1188 CG ASN A 75 2.505 8.654 -8.985 1.00 0.00 C ATOM 1189 OD1 ASN A 75 2.649 8.821 -10.196 1.00 0.00 O ATOM 1190 ND2 ASN A 75 3.364 7.958 -8.250 1.00 0.00 N ATOM 0 H ASN A 75 -0.221 6.972 -9.959 1.00 0.00 H new ATOM 0 HA ASN A 75 0.011 7.591 -7.830 1.00 0.00 H new ATOM 0 HB2 ASN A 75 1.170 10.277 -8.577 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.526 9.274 -7.185 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.184 7.536 -8.686 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.204 7.845 -7.249 1.00 0.00 H new ATOM 1197 N THR A 76 -2.369 8.819 -8.514 1.00 0.00 N ATOM 1198 CA THR A 76 -3.606 9.552 -8.274 1.00 0.00 C ATOM 1199 C THR A 76 -4.709 8.622 -7.779 1.00 0.00 C ATOM 1200 O THR A 76 -4.891 7.525 -8.305 1.00 0.00 O ATOM 1201 CB THR A 76 -4.090 10.270 -9.548 1.00 0.00 C ATOM 1202 OG1 THR A 76 -3.105 11.214 -9.982 1.00 0.00 O ATOM 1203 CG2 THR A 76 -5.410 10.984 -9.299 1.00 0.00 C ATOM 0 H THR A 76 -2.498 7.903 -8.943 1.00 0.00 H new ATOM 0 HA THR A 76 -3.389 10.295 -7.507 1.00 0.00 H new ATOM 0 HB THR A 76 -4.242 9.521 -10.325 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.419 11.665 -10.793 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.731 11.484 -10.213 1.00 0.00 H new ATOM 0 HG22 THR A 76 -6.165 10.258 -8.997 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.281 11.723 -8.508 1.00 0.00 H new ATOM 1211 N ALA A 77 -5.442 9.069 -6.765 1.00 0.00 N ATOM 1212 CA ALA A 77 -6.529 8.278 -6.201 1.00 0.00 C ATOM 1213 C ALA A 77 -7.860 8.628 -6.857 1.00 0.00 C ATOM 1214 O ALA A 77 -8.103 9.780 -7.219 1.00 0.00 O ATOM 1215 CB ALA A 77 -6.608 8.488 -4.696 1.00 0.00 C ATOM 0 H ALA A 77 -5.303 9.975 -6.317 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.322 7.226 -6.400 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.424 7.892 -4.288 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.669 8.181 -4.236 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.788 9.542 -4.485 1.00 0.00 H new ATOM 1221 N THR A 78 -8.722 7.627 -7.007 1.00 0.00 N ATOM 1222 CA THR A 78 -10.028 7.829 -7.621 1.00 0.00 C ATOM 1223 C THR A 78 -11.076 6.912 -6.998 1.00 0.00 C ATOM 1224 O THR A 78 -10.761 5.811 -6.548 1.00 0.00 O ATOM 1225 CB THR A 78 -9.980 7.577 -9.140 1.00 0.00 C ATOM 1226 OG1 THR A 78 -8.844 8.236 -9.709 1.00 0.00 O ATOM 1227 CG2 THR A 78 -11.251 8.075 -9.811 1.00 0.00 C ATOM 0 H THR A 78 -8.539 6.668 -6.711 1.00 0.00 H new ATOM 0 HA THR A 78 -10.305 8.868 -7.441 1.00 0.00 H new ATOM 0 HB THR A 78 -9.898 6.503 -9.306 1.00 0.00 H new ATOM 0 HG1 THR A 78 -8.819 8.070 -10.675 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.194 7.886 -10.883 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.111 7.551 -9.395 1.00 0.00 H new ATOM 0 HG23 THR A 78 -11.359 9.145 -9.636 1.00 0.00 H new ATOM 1235 N ALA A 79 -12.322 7.374 -6.977 1.00 0.00 N ATOM 1236 CA ALA A 79 -13.416 6.594 -6.412 1.00 0.00 C ATOM 1237 C ALA A 79 -14.687 6.754 -7.238 1.00 0.00 C ATOM 1238 O ALA A 79 -14.898 7.765 -7.908 1.00 0.00 O ATOM 1239 CB ALA A 79 -13.667 7.005 -4.969 1.00 0.00 C ATOM 0 H ALA A 79 -12.599 8.284 -7.345 1.00 0.00 H new ATOM 0 HA ALA A 79 -13.129 5.543 -6.434 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -14.487 6.414 -4.560 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -12.766 6.833 -4.380 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -13.928 8.063 -4.932 1.00 0.00 H new ATOM 1245 N PRO A 80 -15.556 5.733 -7.192 1.00 0.00 N ATOM 1246 CA PRO A 80 -16.822 5.736 -7.931 1.00 0.00 C ATOM 1247 C PRO A 80 -17.821 6.740 -7.365 1.00 0.00 C ATOM 1248 O PRO A 80 -18.955 6.830 -7.833 1.00 0.00 O ATOM 1249 CB PRO A 80 -17.340 4.307 -7.753 1.00 0.00 C ATOM 1250 CG PRO A 80 -16.717 3.832 -6.486 1.00 0.00 C ATOM 1251 CD PRO A 80 -15.369 4.496 -6.414 1.00 0.00 C ATOM 0 HA PRO A 80 -16.686 6.028 -8.972 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -18.428 4.285 -7.691 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -17.056 3.675 -8.595 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -17.330 4.099 -5.625 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -16.618 2.746 -6.482 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -15.080 4.708 -5.385 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -14.588 3.867 -6.841 1.00 0.00 H new ATOM 1259 N GLN A 81 -17.391 7.491 -6.357 1.00 0.00 N ATOM 1260 CA GLN A 81 -18.249 8.488 -5.727 1.00 0.00 C ATOM 1261 C GLN A 81 -18.146 9.828 -6.449 1.00 0.00 C ATOM 1262 O GLN A 81 -19.132 10.553 -6.574 1.00 0.00 O ATOM 1263 CB GLN A 81 -17.873 8.658 -4.254 1.00 0.00 C ATOM 1264 CG GLN A 81 -17.884 7.356 -3.469 1.00 0.00 C ATOM 1265 CD GLN A 81 -19.266 6.739 -3.383 1.00 0.00 C ATOM 1266 OE1 GLN A 81 -20.273 7.406 -3.622 1.00 0.00 O ATOM 1267 NE2 GLN A 81 -19.322 5.457 -3.040 1.00 0.00 N ATOM 0 H GLN A 81 -16.454 7.428 -5.959 1.00 0.00 H new ATOM 0 HA GLN A 81 -19.279 8.138 -5.793 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -16.880 9.103 -4.190 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -18.567 9.359 -3.789 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -17.202 6.647 -3.939 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -17.509 7.540 -2.462 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -18.462 4.942 -2.851 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -20.225 4.988 -2.966 1.00 0.00 H new ATOM 1276 N GLY A 82 -16.946 10.150 -6.921 1.00 0.00 N ATOM 1277 CA GLY A 82 -16.737 11.402 -7.623 1.00 0.00 C ATOM 1278 C GLY A 82 -15.647 12.246 -6.992 1.00 0.00 C ATOM 1279 O GLY A 82 -15.722 13.475 -7.002 1.00 0.00 O ATOM 0 H GLY A 82 -16.115 9.566 -6.830 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -16.476 11.194 -8.661 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -17.669 11.968 -7.636 1.00 0.00 H new ATOM 1283 N GLN A 83 -14.634 11.586 -6.440 1.00 0.00 N ATOM 1284 CA GLN A 83 -13.526 12.285 -5.799 1.00 0.00 C ATOM 1285 C GLN A 83 -12.188 11.700 -6.238 1.00 0.00 C ATOM 1286 O GLN A 83 -12.041 10.484 -6.368 1.00 0.00 O ATOM 1287 CB GLN A 83 -13.657 12.204 -4.277 1.00 0.00 C ATOM 1288 CG GLN A 83 -14.454 13.349 -3.674 1.00 0.00 C ATOM 1289 CD GLN A 83 -15.185 12.948 -2.408 1.00 0.00 C ATOM 1290 OE1 GLN A 83 -14.796 13.330 -1.304 1.00 0.00 O ATOM 1291 NE2 GLN A 83 -16.253 12.173 -2.561 1.00 0.00 N ATOM 0 H GLN A 83 -14.557 10.569 -6.424 1.00 0.00 H new ATOM 0 HA GLN A 83 -13.563 13.331 -6.104 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -14.134 11.261 -4.011 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -12.661 12.193 -3.835 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -13.782 14.178 -3.454 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -15.176 13.710 -4.407 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -16.541 11.879 -3.495 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -16.785 11.872 -1.745 1.00 0.00 H new ATOM 1300 N THR A 84 -11.212 12.574 -6.466 1.00 0.00 N ATOM 1301 CA THR A 84 -9.886 12.146 -6.892 1.00 0.00 C ATOM 1302 C THR A 84 -8.797 12.965 -6.208 1.00 0.00 C ATOM 1303 O THR A 84 -8.955 14.167 -5.991 1.00 0.00 O ATOM 1304 CB THR A 84 -9.720 12.265 -8.419 1.00 0.00 C ATOM 1305 OG1 THR A 84 -9.685 13.644 -8.801 1.00 0.00 O ATOM 1306 CG2 THR A 84 -10.858 11.561 -9.143 1.00 0.00 C ATOM 0 H THR A 84 -11.316 13.583 -6.362 1.00 0.00 H new ATOM 0 HA THR A 84 -9.785 11.100 -6.604 1.00 0.00 H new ATOM 0 HB THR A 84 -8.781 11.787 -8.699 1.00 0.00 H new ATOM 0 HG1 THR A 84 -9.578 13.712 -9.773 1.00 0.00 H new ATOM 0 HG21 THR A 84 -10.720 11.658 -10.220 1.00 0.00 H new ATOM 0 HG22 THR A 84 -10.864 10.505 -8.872 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.807 12.014 -8.857 1.00 0.00 H new ATOM 1314 N PHE A 85 -7.692 12.309 -5.872 1.00 0.00 N ATOM 1315 CA PHE A 85 -6.576 12.977 -5.213 1.00 0.00 C ATOM 1316 C PHE A 85 -5.248 12.572 -5.846 1.00 0.00 C ATOM 1317 O PHE A 85 -5.203 11.712 -6.727 1.00 0.00 O ATOM 1318 CB PHE A 85 -6.565 12.645 -3.720 1.00 0.00 C ATOM 1319 CG PHE A 85 -7.927 12.341 -3.163 1.00 0.00 C ATOM 1320 CD1 PHE A 85 -8.829 13.361 -2.908 1.00 0.00 C ATOM 1321 CD2 PHE A 85 -8.305 11.035 -2.895 1.00 0.00 C ATOM 1322 CE1 PHE A 85 -10.083 13.085 -2.396 1.00 0.00 C ATOM 1323 CE2 PHE A 85 -9.557 10.753 -2.384 1.00 0.00 C ATOM 1324 CZ PHE A 85 -10.447 11.779 -2.133 1.00 0.00 C ATOM 0 H PHE A 85 -7.545 11.315 -6.045 1.00 0.00 H new ATOM 0 HA PHE A 85 -6.704 14.052 -5.338 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -5.913 11.788 -3.551 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -6.136 13.484 -3.172 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -8.549 14.384 -3.112 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -7.613 10.229 -3.088 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -10.777 13.889 -2.202 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -9.840 9.731 -2.181 1.00 0.00 H new ATOM 0 HZ PHE A 85 -11.426 11.560 -1.732 1.00 0.00 H new ATOM 1334 N THR A 86 -4.167 13.197 -5.390 1.00 0.00 N ATOM 1335 CA THR A 86 -2.838 12.904 -5.912 1.00 0.00 C ATOM 1336 C THR A 86 -1.924 12.367 -4.816 1.00 0.00 C ATOM 1337 O THR A 86 -1.736 13.006 -3.781 1.00 0.00 O ATOM 1338 CB THR A 86 -2.191 14.154 -6.537 1.00 0.00 C ATOM 1339 OG1 THR A 86 -3.000 14.636 -7.616 1.00 0.00 O ATOM 1340 CG2 THR A 86 -0.792 13.843 -7.045 1.00 0.00 C ATOM 0 H THR A 86 -4.186 13.909 -4.660 1.00 0.00 H new ATOM 0 HA THR A 86 -2.962 12.144 -6.684 1.00 0.00 H new ATOM 0 HB THR A 86 -2.118 14.922 -5.767 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.583 15.432 -8.007 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.356 14.741 -7.482 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.171 13.504 -6.216 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.845 13.060 -7.802 1.00 0.00 H new ATOM 1348 N VAL A 87 -1.357 11.187 -5.050 1.00 0.00 N ATOM 1349 CA VAL A 87 -0.460 10.565 -4.084 1.00 0.00 C ATOM 1350 C VAL A 87 0.998 10.841 -4.430 1.00 0.00 C ATOM 1351 O VAL A 87 1.399 10.750 -5.590 1.00 0.00 O ATOM 1352 CB VAL A 87 -0.680 9.042 -4.014 1.00 0.00 C ATOM 1353 CG1 VAL A 87 -1.917 8.718 -3.191 1.00 0.00 C ATOM 1354 CG2 VAL A 87 -0.793 8.456 -5.414 1.00 0.00 C ATOM 0 H VAL A 87 -1.503 10.643 -5.900 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.689 11.003 -3.112 1.00 0.00 H new ATOM 0 HB VAL A 87 0.182 8.590 -3.523 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.056 7.638 -3.153 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -1.792 9.104 -2.179 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.791 9.180 -3.650 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.948 7.379 -5.346 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.636 8.912 -5.932 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.124 8.656 -5.967 1.00 0.00 H new ATOM 1364 N GLN A 88 1.788 11.179 -3.415 1.00 0.00 N ATOM 1365 CA GLN A 88 3.203 11.469 -3.613 1.00 0.00 C ATOM 1366 C GLN A 88 4.066 10.635 -2.672 1.00 0.00 C ATOM 1367 O GLN A 88 3.748 10.484 -1.492 1.00 0.00 O ATOM 1368 CB GLN A 88 3.476 12.957 -3.390 1.00 0.00 C ATOM 1369 CG GLN A 88 3.118 13.439 -1.993 1.00 0.00 C ATOM 1370 CD GLN A 88 2.866 14.933 -1.938 1.00 0.00 C ATOM 1371 OE1 GLN A 88 3.297 15.680 -2.817 1.00 0.00 O ATOM 1372 NE2 GLN A 88 2.163 15.377 -0.903 1.00 0.00 N ATOM 0 H GLN A 88 1.472 11.259 -2.448 1.00 0.00 H new ATOM 0 HA GLN A 88 3.461 11.209 -4.640 1.00 0.00 H new ATOM 0 HB2 GLN A 88 4.532 13.156 -3.574 1.00 0.00 H new ATOM 0 HB3 GLN A 88 2.910 13.535 -4.121 1.00 0.00 H new ATOM 0 HG2 GLN A 88 2.229 12.911 -1.647 1.00 0.00 H new ATOM 0 HG3 GLN A 88 3.926 13.185 -1.307 1.00 0.00 H new ATOM 0 HE21 GLN A 88 1.825 14.722 -0.197 1.00 0.00 H new ATOM 0 HE22 GLN A 88 1.961 16.373 -0.813 1.00 0.00 H new ATOM 1381 N ARG A 89 5.159 10.095 -3.202 1.00 0.00 N ATOM 1382 CA ARG A 89 6.067 9.274 -2.409 1.00 0.00 C ATOM 1383 C ARG A 89 7.286 10.081 -1.971 1.00 0.00 C ATOM 1384 O ARG A 89 7.947 10.722 -2.789 1.00 0.00 O ATOM 1385 CB ARG A 89 6.513 8.050 -3.211 1.00 0.00 C ATOM 1386 CG ARG A 89 7.122 6.951 -2.356 1.00 0.00 C ATOM 1387 CD ARG A 89 7.292 5.662 -3.143 1.00 0.00 C ATOM 1388 NE ARG A 89 7.762 4.564 -2.302 1.00 0.00 N ATOM 1389 CZ ARG A 89 9.043 4.350 -2.023 1.00 0.00 C ATOM 1390 NH1 ARG A 89 9.976 5.154 -2.515 1.00 0.00 N ATOM 1391 NH2 ARG A 89 9.393 3.330 -1.250 1.00 0.00 N ATOM 0 H ARG A 89 5.437 10.211 -4.176 1.00 0.00 H new ATOM 0 HA ARG A 89 5.534 8.942 -1.518 1.00 0.00 H new ATOM 0 HB2 ARG A 89 5.655 7.647 -3.749 1.00 0.00 H new ATOM 0 HB3 ARG A 89 7.241 8.362 -3.959 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.091 7.278 -1.978 1.00 0.00 H new ATOM 0 HG3 ARG A 89 6.486 6.768 -1.490 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.341 5.388 -3.599 1.00 0.00 H new ATOM 0 HD3 ARG A 89 8.000 5.824 -3.956 1.00 0.00 H new ATOM 0 HE ARG A 89 7.069 3.927 -1.908 1.00 0.00 H new ATOM 0 HH11 ARG A 89 9.711 5.939 -3.109 1.00 0.00 H new ATOM 0 HH12 ARG A 89 10.959 4.987 -2.299 1.00 0.00 H new ATOM 0 HH21 ARG A 89 8.678 2.710 -0.870 1.00 0.00 H new ATOM 0 HH22 ARG A 89 10.377 3.166 -1.036 1.00 0.00 H new ATOM 1405 N LEU A 90 7.578 10.045 -0.676 1.00 0.00 N ATOM 1406 CA LEU A 90 8.717 10.773 -0.128 1.00 0.00 C ATOM 1407 C LEU A 90 9.580 9.862 0.739 1.00 0.00 C ATOM 1408 O LEU A 90 9.067 9.009 1.464 1.00 0.00 O ATOM 1409 CB LEU A 90 8.235 11.970 0.694 1.00 0.00 C ATOM 1410 CG LEU A 90 7.045 12.741 0.121 1.00 0.00 C ATOM 1411 CD1 LEU A 90 5.737 12.160 0.634 1.00 0.00 C ATOM 1412 CD2 LEU A 90 7.149 14.219 0.472 1.00 0.00 C ATOM 0 H LEU A 90 7.042 9.519 0.014 1.00 0.00 H new ATOM 0 HA LEU A 90 9.322 11.131 -0.961 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.968 11.618 1.690 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.068 12.663 0.813 1.00 0.00 H new ATOM 0 HG LEU A 90 7.061 12.644 -0.965 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.901 12.721 0.216 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.660 11.115 0.333 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.711 12.227 1.722 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.294 14.753 0.056 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.158 14.336 1.556 1.00 0.00 H new ATOM 0 HD23 LEU A 90 8.069 14.628 0.055 1.00 0.00 H new