USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 714 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 44 THR OG1 : rot 140:sc= -0.0777 USER MOD Set 1.2: A 91 GLN : amide:sc= 1.28 K(o=1.2,f=-3.4!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -174:sc= 0.00326 (180deg=-0.0248) USER MOD Single : A 40 ASN : amide:sc= -1.24 K(o=-1.2,f=-10!) USER MOD Single : A 41 GLN : amide:sc= -0.171 X(o=-0.17,f=-0.23) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 167:sc= 0.787 (180deg=0.493) USER MOD Single : A 50 ASN : amide:sc= -0.346 X(o=-0.35,f=-0.13) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -2.23! C(o=-2.2!,f=-8.4!) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 58 GLN :FLIP amide:sc= 0 F(o=-3,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0129 USER MOD Single : A 66 SER OG : rot -9:sc= 0.897 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 30:sc= -0.0128 USER MOD Single : A 89 CYS SG : rot 60:sc= -3.3! USER MOD Single : A 94 HIS : no HD1:sc= -0.0959 X(o=-0.096,f=-0.096) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -0.0642 X(o=-0.064,f=-0.064) USER MOD Single : A 105 ASN : amide:sc= -2.16! C(o=-2.2!,f=-11!) USER MOD Single : A 108 TYR OH : rot -142:sc= 1.33 USER MOD Single : A 109 CYS SG : rot -150:sc= -0.217 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 CYS SG : rot 180:sc= -1.84! USER MOD Single : A 115 GLN : amide:sc= -1.81! C(o=-1.8!,f=-6!) USER MOD Single : A 120 ASN : amide:sc= -0.125 X(o=-0.13,f=0) USER MOD Single : A 121 HIS : no HE2:sc= 0.48 K(o=0.48,f=-1.6!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 504 N TRP A 37 8.523 9.370 -3.573 1.00 0.00 N ATOM 505 CA TRP A 37 7.307 8.616 -3.711 1.00 0.00 C ATOM 506 C TRP A 37 7.615 7.253 -4.282 1.00 0.00 C ATOM 507 O TRP A 37 8.213 7.131 -5.346 1.00 0.00 O ATOM 508 CB TRP A 37 6.296 9.353 -4.594 1.00 0.00 C ATOM 509 CG TRP A 37 5.799 10.640 -4.004 1.00 0.00 C ATOM 510 CD1 TRP A 37 6.334 11.885 -4.168 1.00 0.00 C ATOM 511 CD2 TRP A 37 4.659 10.805 -3.155 1.00 0.00 C ATOM 512 NE1 TRP A 37 5.596 12.808 -3.472 1.00 0.00 N ATOM 513 CE2 TRP A 37 4.563 12.171 -2.843 1.00 0.00 C ATOM 514 CE3 TRP A 37 3.711 9.927 -2.624 1.00 0.00 C ATOM 515 CZ2 TRP A 37 3.556 12.684 -2.031 1.00 0.00 C ATOM 516 CZ3 TRP A 37 2.715 10.433 -1.817 1.00 0.00 C ATOM 517 CH2 TRP A 37 2.643 11.802 -1.526 1.00 0.00 C ATOM 0 HA TRP A 37 6.859 8.498 -2.724 1.00 0.00 H new ATOM 0 HB2 TRP A 37 6.756 9.561 -5.560 1.00 0.00 H new ATOM 0 HB3 TRP A 37 5.445 8.698 -4.780 1.00 0.00 H new ATOM 0 HD1 TRP A 37 7.210 12.110 -4.759 1.00 0.00 H new ATOM 0 HE1 TRP A 37 5.787 13.809 -3.430 1.00 0.00 H new ATOM 0 HE3 TRP A 37 3.758 8.870 -2.842 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 3.498 13.739 -1.808 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 1.977 9.763 -1.402 1.00 0.00 H new ATOM 0 HH2 TRP A 37 1.850 12.167 -0.890 1.00 0.00 H new ATOM 528 N LYS A 38 7.239 6.248 -3.573 1.00 0.00 N ATOM 529 CA LYS A 38 7.499 4.900 -3.964 1.00 0.00 C ATOM 530 C LYS A 38 6.163 4.253 -4.257 1.00 0.00 C ATOM 531 O LYS A 38 5.200 4.524 -3.567 1.00 0.00 O ATOM 532 CB LYS A 38 8.160 4.182 -2.792 1.00 0.00 C ATOM 533 CG LYS A 38 9.173 3.124 -3.183 1.00 0.00 C ATOM 534 CD LYS A 38 10.410 3.743 -3.826 1.00 0.00 C ATOM 535 CE LYS A 38 11.124 4.705 -2.874 1.00 0.00 C ATOM 536 NZ LYS A 38 12.321 5.287 -3.486 1.00 0.00 N ATOM 0 H LYS A 38 6.734 6.336 -2.691 1.00 0.00 H new ATOM 0 HA LYS A 38 8.149 4.853 -4.838 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.654 4.922 -2.163 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.384 3.715 -2.186 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.466 2.556 -2.300 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.715 2.420 -3.877 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.097 2.952 -4.127 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.121 4.276 -4.732 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.440 5.502 -2.583 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.402 4.175 -1.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.777 5.933 -2.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.984 4.528 -3.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.052 5.814 -4.341 1.00 0.00 H new ATOM 550 N LYS A 39 6.085 3.424 -5.252 1.00 0.00 N ATOM 551 CA LYS A 39 4.823 2.798 -5.563 1.00 0.00 C ATOM 552 C LYS A 39 4.789 1.383 -5.006 1.00 0.00 C ATOM 553 O LYS A 39 5.826 0.707 -4.923 1.00 0.00 O ATOM 554 CB LYS A 39 4.547 2.815 -7.082 1.00 0.00 C ATOM 555 CG LYS A 39 3.166 2.284 -7.478 1.00 0.00 C ATOM 556 CD LYS A 39 2.903 2.447 -8.965 1.00 0.00 C ATOM 557 CE LYS A 39 1.515 1.950 -9.353 1.00 0.00 C ATOM 558 NZ LYS A 39 1.377 0.484 -9.204 1.00 0.00 N ATOM 0 H LYS A 39 6.863 3.164 -5.858 1.00 0.00 H new ATOM 0 HA LYS A 39 4.027 3.371 -5.088 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.648 3.837 -7.446 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.310 2.220 -7.585 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.091 1.230 -7.209 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.398 2.812 -6.913 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.002 3.497 -9.239 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.657 1.898 -9.530 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.768 2.447 -8.734 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.309 2.228 -10.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.453 0.183 -9.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.135 0.008 -9.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.446 0.229 -8.198 1.00 0.00 H new ATOM 572 N ASN A 40 3.630 0.976 -4.562 1.00 0.00 N ATOM 573 CA ASN A 40 3.406 -0.373 -4.084 1.00 0.00 C ATOM 574 C ASN A 40 2.418 -1.087 -5.010 1.00 0.00 C ATOM 575 O ASN A 40 1.919 -0.484 -5.990 1.00 0.00 O ATOM 576 CB ASN A 40 2.931 -0.387 -2.604 1.00 0.00 C ATOM 577 CG ASN A 40 1.646 0.394 -2.329 1.00 0.00 C ATOM 578 OD1 ASN A 40 0.760 0.503 -3.184 1.00 0.00 O ATOM 579 ND2 ASN A 40 1.535 0.938 -1.135 1.00 0.00 N ATOM 0 H ASN A 40 2.804 1.573 -4.519 1.00 0.00 H new ATOM 0 HA ASN A 40 4.352 -0.914 -4.104 1.00 0.00 H new ATOM 0 HB2 ASN A 40 2.782 -1.422 -2.296 1.00 0.00 H new ATOM 0 HB3 ASN A 40 3.726 0.020 -1.979 1.00 0.00 H new ATOM 0 HD21 ASN A 40 0.699 1.469 -0.892 1.00 0.00 H new ATOM 0 HD22 ASN A 40 2.285 0.828 -0.453 1.00 0.00 H new ATOM 586 N GLN A 41 2.089 -2.333 -4.704 1.00 0.00 N ATOM 587 CA GLN A 41 1.228 -3.131 -5.577 1.00 0.00 C ATOM 588 C GLN A 41 -0.247 -2.826 -5.375 1.00 0.00 C ATOM 589 O GLN A 41 -1.105 -3.387 -6.039 1.00 0.00 O ATOM 590 CB GLN A 41 1.493 -4.630 -5.415 1.00 0.00 C ATOM 591 CG GLN A 41 2.924 -5.045 -5.725 1.00 0.00 C ATOM 592 CD GLN A 41 3.398 -4.511 -7.060 1.00 0.00 C ATOM 593 OE1 GLN A 41 3.980 -3.429 -7.136 1.00 0.00 O ATOM 594 NE2 GLN A 41 3.117 -5.217 -8.111 1.00 0.00 N ATOM 0 H GLN A 41 2.402 -2.816 -3.862 1.00 0.00 H new ATOM 0 HA GLN A 41 1.483 -2.846 -6.598 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.255 -4.922 -4.392 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.817 -5.180 -6.069 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.584 -4.684 -4.936 1.00 0.00 H new ATOM 0 HG3 GLN A 41 2.993 -6.133 -5.726 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.634 -6.110 -8.011 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.379 -4.880 -9.037 1.00 0.00 H new ATOM 603 N TYR A 42 -0.528 -1.908 -4.482 1.00 0.00 N ATOM 604 CA TYR A 42 -1.897 -1.498 -4.207 1.00 0.00 C ATOM 605 C TYR A 42 -2.250 -0.310 -5.097 1.00 0.00 C ATOM 606 O TYR A 42 -3.365 0.227 -5.058 1.00 0.00 O ATOM 607 CB TYR A 42 -2.057 -1.105 -2.733 1.00 0.00 C ATOM 608 CG TYR A 42 -1.610 -2.167 -1.753 1.00 0.00 C ATOM 609 CD1 TYR A 42 -2.315 -3.354 -1.601 1.00 0.00 C ATOM 610 CD2 TYR A 42 -0.473 -1.980 -0.985 1.00 0.00 C ATOM 611 CE1 TYR A 42 -1.894 -4.319 -0.709 1.00 0.00 C ATOM 612 CE2 TYR A 42 -0.048 -2.936 -0.095 1.00 0.00 C ATOM 613 CZ TYR A 42 -0.759 -4.103 0.043 1.00 0.00 C ATOM 614 OH TYR A 42 -0.332 -5.058 0.941 1.00 0.00 O ATOM 0 H TYR A 42 0.176 -1.423 -3.925 1.00 0.00 H new ATOM 0 HA TYR A 42 -2.567 -2.332 -4.416 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -1.488 -0.194 -2.548 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -3.104 -0.870 -2.543 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -3.205 -3.524 -2.189 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.091 -1.065 -1.088 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -2.451 -5.238 -0.601 1.00 0.00 H new ATOM 0 HE2 TYR A 42 0.842 -2.771 0.494 1.00 0.00 H new ATOM 0 HH TYR A 42 0.483 -4.747 1.387 1.00 0.00 H new ATOM 624 N GLY A 43 -1.279 0.105 -5.896 1.00 0.00 N ATOM 625 CA GLY A 43 -1.464 1.232 -6.780 1.00 0.00 C ATOM 626 C GLY A 43 -1.360 2.529 -6.034 1.00 0.00 C ATOM 627 O GLY A 43 -1.858 3.564 -6.476 1.00 0.00 O ATOM 0 H GLY A 43 -0.356 -0.326 -5.946 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.715 1.204 -7.571 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.439 1.164 -7.262 1.00 0.00 H new ATOM 631 N THR A 44 -0.752 2.460 -4.891 1.00 0.00 N ATOM 632 CA THR A 44 -0.576 3.583 -4.057 1.00 0.00 C ATOM 633 C THR A 44 0.873 4.039 -4.122 1.00 0.00 C ATOM 634 O THR A 44 1.794 3.211 -4.224 1.00 0.00 O ATOM 635 CB THR A 44 -0.931 3.199 -2.618 1.00 0.00 C ATOM 636 OG1 THR A 44 -2.233 2.601 -2.608 1.00 0.00 O ATOM 637 CG2 THR A 44 -0.932 4.411 -1.714 1.00 0.00 C ATOM 0 H THR A 44 -0.360 1.598 -4.513 1.00 0.00 H new ATOM 0 HA THR A 44 -1.224 4.395 -4.389 1.00 0.00 H new ATOM 0 HB THR A 44 -0.183 2.498 -2.248 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.240 1.842 -1.988 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.187 4.107 -0.699 1.00 0.00 H new ATOM 0 HG22 THR A 44 0.057 4.869 -1.718 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.667 5.132 -2.073 1.00 0.00 H new ATOM 645 N TRP A 45 1.062 5.323 -4.123 1.00 0.00 N ATOM 646 CA TRP A 45 2.370 5.899 -4.054 1.00 0.00 C ATOM 647 C TRP A 45 2.545 6.421 -2.653 1.00 0.00 C ATOM 648 O TRP A 45 1.709 7.178 -2.179 1.00 0.00 O ATOM 649 CB TRP A 45 2.510 7.036 -5.050 1.00 0.00 C ATOM 650 CG TRP A 45 2.448 6.621 -6.493 1.00 0.00 C ATOM 651 CD1 TRP A 45 1.339 6.263 -7.207 1.00 0.00 C ATOM 652 CD2 TRP A 45 3.546 6.573 -7.408 1.00 0.00 C ATOM 653 NE1 TRP A 45 1.687 5.978 -8.501 1.00 0.00 N ATOM 654 CE2 TRP A 45 3.035 6.163 -8.652 1.00 0.00 C ATOM 655 CE3 TRP A 45 4.915 6.830 -7.293 1.00 0.00 C ATOM 656 CZ2 TRP A 45 3.843 6.011 -9.775 1.00 0.00 C ATOM 657 CZ3 TRP A 45 5.713 6.680 -8.406 1.00 0.00 C ATOM 658 CH2 TRP A 45 5.176 6.273 -9.633 1.00 0.00 C ATOM 0 H TRP A 45 0.306 6.006 -4.172 1.00 0.00 H new ATOM 0 HA TRP A 45 3.128 5.154 -4.297 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.721 7.764 -4.862 1.00 0.00 H new ATOM 0 HB3 TRP A 45 3.459 7.541 -4.872 1.00 0.00 H new ATOM 0 HD1 TRP A 45 0.336 6.212 -6.810 1.00 0.00 H new ATOM 0 HE1 TRP A 45 1.045 5.676 -9.234 1.00 0.00 H new ATOM 0 HE3 TRP A 45 5.339 7.140 -6.350 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 3.431 5.698 -10.723 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 6.772 6.880 -8.331 1.00 0.00 H new ATOM 0 HH2 TRP A 45 5.830 6.164 -10.486 1.00 0.00 H new ATOM 669 N TYR A 46 3.575 6.006 -1.995 1.00 0.00 N ATOM 670 CA TYR A 46 3.792 6.384 -0.625 1.00 0.00 C ATOM 671 C TYR A 46 5.180 6.963 -0.445 1.00 0.00 C ATOM 672 O TYR A 46 6.124 6.553 -1.118 1.00 0.00 O ATOM 673 CB TYR A 46 3.576 5.176 0.321 1.00 0.00 C ATOM 674 CG TYR A 46 4.575 4.044 0.150 1.00 0.00 C ATOM 675 CD1 TYR A 46 4.440 3.105 -0.864 1.00 0.00 C ATOM 676 CD2 TYR A 46 5.661 3.927 1.007 1.00 0.00 C ATOM 677 CE1 TYR A 46 5.361 2.092 -1.022 1.00 0.00 C ATOM 678 CE2 TYR A 46 6.578 2.917 0.855 1.00 0.00 C ATOM 679 CZ TYR A 46 6.429 2.003 -0.160 1.00 0.00 C ATOM 680 OH TYR A 46 7.362 0.991 -0.317 1.00 0.00 O ATOM 0 H TYR A 46 4.294 5.396 -2.384 1.00 0.00 H new ATOM 0 HA TYR A 46 3.064 7.152 -0.365 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.620 5.528 1.352 1.00 0.00 H new ATOM 0 HB3 TYR A 46 2.572 4.783 0.161 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.600 3.170 -1.540 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.786 4.642 1.806 1.00 0.00 H new ATOM 0 HE1 TYR A 46 5.245 1.372 -1.818 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.416 2.841 1.532 1.00 0.00 H new ATOM 0 HH TYR A 46 8.052 1.073 0.374 1.00 0.00 H new ATOM 690 N LYS A 47 5.288 7.919 0.420 1.00 0.00 N ATOM 691 CA LYS A 47 6.551 8.512 0.762 1.00 0.00 C ATOM 692 C LYS A 47 6.742 8.422 2.277 1.00 0.00 C ATOM 693 O LYS A 47 5.796 8.692 3.043 1.00 0.00 O ATOM 694 CB LYS A 47 6.623 9.992 0.310 1.00 0.00 C ATOM 695 CG LYS A 47 5.529 10.872 0.899 1.00 0.00 C ATOM 696 CD LYS A 47 5.725 12.355 0.615 1.00 0.00 C ATOM 697 CE LYS A 47 6.988 12.883 1.255 1.00 0.00 C ATOM 698 NZ LYS A 47 7.078 14.353 1.180 1.00 0.00 N ATOM 0 H LYS A 47 4.493 8.319 0.919 1.00 0.00 H new ATOM 0 HA LYS A 47 7.344 7.970 0.246 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.594 10.400 0.590 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.562 10.033 -0.778 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.565 10.558 0.498 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.491 10.718 1.977 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.767 12.517 -0.462 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.867 12.914 0.988 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.022 12.571 2.299 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.855 12.442 0.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.833 14.687 1.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.293 14.638 0.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.172 14.772 1.471 1.00 0.00 H new ATOM 712 N PRO A 48 7.909 7.984 2.752 1.00 0.00 N ATOM 713 CA PRO A 48 8.194 7.980 4.175 1.00 0.00 C ATOM 714 C PRO A 48 8.506 9.402 4.638 1.00 0.00 C ATOM 715 O PRO A 48 9.453 10.036 4.139 1.00 0.00 O ATOM 716 CB PRO A 48 9.454 7.093 4.307 1.00 0.00 C ATOM 717 CG PRO A 48 9.683 6.505 2.947 1.00 0.00 C ATOM 718 CD PRO A 48 9.023 7.431 1.967 1.00 0.00 C ATOM 0 HA PRO A 48 7.360 7.615 4.775 1.00 0.00 H new ATOM 0 HB2 PRO A 48 10.314 7.680 4.629 1.00 0.00 H new ATOM 0 HB3 PRO A 48 9.305 6.311 5.051 1.00 0.00 H new ATOM 0 HG2 PRO A 48 10.749 6.414 2.738 1.00 0.00 H new ATOM 0 HG3 PRO A 48 9.259 5.503 2.881 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.703 8.210 1.623 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.672 6.901 1.081 1.00 0.00 H new ATOM 726 N GLU A 49 7.736 9.896 5.574 1.00 0.00 N ATOM 727 CA GLU A 49 7.897 11.235 6.099 1.00 0.00 C ATOM 728 C GLU A 49 7.075 11.344 7.362 1.00 0.00 C ATOM 729 O GLU A 49 5.862 11.131 7.342 1.00 0.00 O ATOM 730 CB GLU A 49 7.463 12.276 5.041 1.00 0.00 C ATOM 731 CG GLU A 49 7.704 13.727 5.422 1.00 0.00 C ATOM 732 CD GLU A 49 7.596 14.646 4.229 1.00 0.00 C ATOM 733 OE1 GLU A 49 8.581 14.753 3.455 1.00 0.00 O ATOM 734 OE2 GLU A 49 6.539 15.270 4.006 1.00 0.00 O ATOM 0 H GLU A 49 6.969 9.376 6.001 1.00 0.00 H new ATOM 0 HA GLU A 49 8.942 11.436 6.335 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.994 12.068 4.112 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.400 12.142 4.838 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.981 14.029 6.180 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.693 13.826 5.868 1.00 0.00 H new ATOM 741 N ASN A 50 7.729 11.650 8.449 1.00 0.00 N ATOM 742 CA ASN A 50 7.077 11.681 9.732 1.00 0.00 C ATOM 743 C ASN A 50 6.633 13.078 10.081 1.00 0.00 C ATOM 744 O ASN A 50 7.446 13.999 10.164 1.00 0.00 O ATOM 745 CB ASN A 50 8.001 11.117 10.819 1.00 0.00 C ATOM 746 CG ASN A 50 7.322 10.990 12.173 1.00 0.00 C ATOM 747 OD1 ASN A 50 7.333 11.917 12.982 1.00 0.00 O ATOM 748 ND2 ASN A 50 6.760 9.841 12.443 1.00 0.00 N ATOM 0 H ASN A 50 8.722 11.883 8.472 1.00 0.00 H new ATOM 0 HA ASN A 50 6.188 11.052 9.675 1.00 0.00 H new ATOM 0 HB2 ASN A 50 8.363 10.137 10.507 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.874 11.763 10.916 1.00 0.00 H new ATOM 0 HD21 ASN A 50 6.313 9.692 13.347 1.00 0.00 H new ATOM 0 HD22 ASN A 50 6.769 9.093 11.749 1.00 0.00 H new ATOM 755 N ALA A 51 5.356 13.232 10.273 1.00 0.00 N ATOM 756 CA ALA A 51 4.761 14.492 10.635 1.00 0.00 C ATOM 757 C ALA A 51 3.532 14.206 11.470 1.00 0.00 C ATOM 758 O ALA A 51 3.052 13.074 11.479 1.00 0.00 O ATOM 759 CB ALA A 51 4.399 15.296 9.393 1.00 0.00 C ATOM 0 H ALA A 51 4.682 12.472 10.181 1.00 0.00 H new ATOM 0 HA ALA A 51 5.470 15.089 11.208 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.951 16.244 9.691 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.299 15.488 8.809 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.688 14.732 8.789 1.00 0.00 H new ATOM 765 N THR A 52 3.023 15.180 12.159 1.00 0.00 N ATOM 766 CA THR A 52 1.894 14.956 13.010 1.00 0.00 C ATOM 767 C THR A 52 0.603 15.503 12.368 1.00 0.00 C ATOM 768 O THR A 52 0.645 16.430 11.572 1.00 0.00 O ATOM 769 CB THR A 52 2.164 15.577 14.401 1.00 0.00 C ATOM 770 OG1 THR A 52 3.394 15.034 14.910 1.00 0.00 O ATOM 771 CG2 THR A 52 1.053 15.266 15.386 1.00 0.00 C ATOM 0 H THR A 52 3.371 16.139 12.149 1.00 0.00 H new ATOM 0 HA THR A 52 1.746 13.884 13.141 1.00 0.00 H new ATOM 0 HB THR A 52 2.220 16.659 14.286 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.581 15.419 15.792 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.283 15.721 16.349 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.111 15.667 15.011 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.965 14.186 15.506 1.00 0.00 H new ATOM 779 N PHE A 53 -0.507 14.876 12.660 1.00 0.00 N ATOM 780 CA PHE A 53 -1.793 15.301 12.186 1.00 0.00 C ATOM 781 C PHE A 53 -2.731 15.459 13.365 1.00 0.00 C ATOM 782 O PHE A 53 -2.776 14.609 14.257 1.00 0.00 O ATOM 783 CB PHE A 53 -2.369 14.279 11.188 1.00 0.00 C ATOM 784 CG PHE A 53 -3.751 14.613 10.678 1.00 0.00 C ATOM 785 CD1 PHE A 53 -3.930 15.573 9.697 1.00 0.00 C ATOM 786 CD2 PHE A 53 -4.868 13.960 11.183 1.00 0.00 C ATOM 787 CE1 PHE A 53 -5.191 15.879 9.231 1.00 0.00 C ATOM 788 CE2 PHE A 53 -6.133 14.262 10.721 1.00 0.00 C ATOM 789 CZ PHE A 53 -6.294 15.223 9.744 1.00 0.00 C ATOM 0 H PHE A 53 -0.540 14.041 13.245 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.685 16.256 11.672 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.691 14.198 10.338 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.399 13.300 11.666 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.072 16.088 9.292 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.745 13.206 11.947 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.317 16.631 8.466 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.994 13.748 11.123 1.00 0.00 H new ATOM 0 HZ PHE A 53 -7.282 15.463 9.380 1.00 0.00 H new ATOM 799 N VAL A 54 -3.441 16.538 13.384 1.00 0.00 N ATOM 800 CA VAL A 54 -4.437 16.789 14.379 1.00 0.00 C ATOM 801 C VAL A 54 -5.769 16.805 13.675 1.00 0.00 C ATOM 802 O VAL A 54 -5.981 17.610 12.763 1.00 0.00 O ATOM 803 CB VAL A 54 -4.221 18.153 15.093 1.00 0.00 C ATOM 804 CG1 VAL A 54 -5.295 18.390 16.150 1.00 0.00 C ATOM 805 CG2 VAL A 54 -2.846 18.216 15.730 1.00 0.00 C ATOM 0 H VAL A 54 -3.345 17.286 12.697 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.384 16.014 15.144 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.294 18.937 14.340 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.122 19.351 16.635 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.277 18.394 15.677 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.255 17.595 16.894 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.717 19.179 16.224 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.748 17.416 16.464 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.083 18.098 14.961 1.00 0.00 H new ATOM 815 N ASN A 55 -6.633 15.898 14.040 1.00 0.00 N ATOM 816 CA ASN A 55 -7.946 15.839 13.435 1.00 0.00 C ATOM 817 C ASN A 55 -8.721 17.060 13.880 1.00 0.00 C ATOM 818 O ASN A 55 -8.787 17.355 15.074 1.00 0.00 O ATOM 819 CB ASN A 55 -8.672 14.554 13.838 1.00 0.00 C ATOM 820 CG ASN A 55 -10.001 14.353 13.114 1.00 0.00 C ATOM 821 OD1 ASN A 55 -10.696 15.299 12.739 1.00 0.00 O ATOM 822 ND2 ASN A 55 -10.372 13.131 12.925 1.00 0.00 N ATOM 0 H ASN A 55 -6.457 15.189 14.751 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.858 15.830 12.349 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -8.024 13.701 13.635 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -8.852 14.569 14.913 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -11.256 12.933 12.457 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -9.781 12.363 13.244 1.00 0.00 H new ATOM 829 N GLY A 56 -9.315 17.745 12.945 1.00 0.00 N ATOM 830 CA GLY A 56 -9.929 18.988 13.256 1.00 0.00 C ATOM 831 C GLY A 56 -11.402 18.896 13.534 1.00 0.00 C ATOM 832 O GLY A 56 -11.836 19.073 14.678 1.00 0.00 O ATOM 0 H GLY A 56 -9.383 17.459 11.968 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.433 19.418 14.126 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.770 19.677 12.426 1.00 0.00 H new ATOM 836 N ASN A 57 -12.188 18.593 12.526 1.00 0.00 N ATOM 837 CA ASN A 57 -13.634 18.686 12.689 1.00 0.00 C ATOM 838 C ASN A 57 -14.384 17.494 12.121 1.00 0.00 C ATOM 839 O ASN A 57 -15.607 17.537 11.984 1.00 0.00 O ATOM 840 CB ASN A 57 -14.149 19.990 12.040 1.00 0.00 C ATOM 841 CG ASN A 57 -14.030 20.021 10.517 1.00 0.00 C ATOM 842 OD1 ASN A 57 -14.959 19.646 9.802 1.00 0.00 O ATOM 843 ND2 ASN A 57 -12.900 20.457 10.009 1.00 0.00 N ATOM 0 H ASN A 57 -11.870 18.288 11.606 1.00 0.00 H new ATOM 0 HA ASN A 57 -13.829 18.692 13.761 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -15.194 20.131 12.314 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -13.594 20.832 12.454 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -12.775 20.491 8.997 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -12.147 20.761 10.626 1.00 0.00 H new ATOM 850 N GLN A 58 -13.701 16.429 11.830 1.00 0.00 N ATOM 851 CA GLN A 58 -14.368 15.287 11.242 1.00 0.00 C ATOM 852 C GLN A 58 -13.957 13.988 11.862 1.00 0.00 C ATOM 853 O GLN A 58 -12.797 13.673 11.879 1.00 0.00 O ATOM 854 CB GLN A 58 -14.095 15.216 9.735 1.00 0.00 C ATOM 855 CG GLN A 58 -15.008 16.069 8.860 1.00 0.00 C ATOM 856 CD GLN A 58 -16.362 15.405 8.582 1.00 0.00 C ATOM 857 OE1 GLN A 58 -16.805 14.540 9.451 1.00 0.00 O flip ATOM 858 NE2 GLN A 58 -16.979 15.638 7.549 1.00 0.00 N flip ATOM 0 H GLN A 58 -12.699 16.318 11.983 1.00 0.00 H new ATOM 0 HA GLN A 58 -15.432 15.433 11.431 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -13.063 15.519 9.556 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -14.182 14.177 9.416 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -15.174 17.030 9.346 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -14.508 16.273 7.913 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -16.617 16.318 6.881 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -17.855 15.152 7.357 1.00 0.00 H new ATOM 867 N PRO A 59 -14.890 13.216 12.406 1.00 0.00 N ATOM 868 CA PRO A 59 -14.588 11.848 12.770 1.00 0.00 C ATOM 869 C PRO A 59 -14.348 11.116 11.461 1.00 0.00 C ATOM 870 O PRO A 59 -15.217 11.113 10.583 1.00 0.00 O ATOM 871 CB PRO A 59 -15.871 11.338 13.436 1.00 0.00 C ATOM 872 CG PRO A 59 -16.678 12.558 13.733 1.00 0.00 C ATOM 873 CD PRO A 59 -16.273 13.592 12.727 1.00 0.00 C ATOM 0 HA PRO A 59 -13.728 11.722 13.428 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -16.413 10.660 12.776 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -15.647 10.784 14.348 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -17.744 12.344 13.662 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -16.490 12.910 14.748 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -16.913 13.569 11.845 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -16.332 14.600 13.138 1.00 0.00 H new ATOM 881 N ILE A 60 -13.197 10.561 11.294 1.00 0.00 N ATOM 882 CA ILE A 60 -12.841 10.005 10.023 1.00 0.00 C ATOM 883 C ILE A 60 -12.704 8.507 10.118 1.00 0.00 C ATOM 884 O ILE A 60 -11.909 7.998 10.905 1.00 0.00 O ATOM 885 CB ILE A 60 -11.513 10.613 9.479 1.00 0.00 C ATOM 886 CG1 ILE A 60 -11.569 12.158 9.484 1.00 0.00 C ATOM 887 CG2 ILE A 60 -11.257 10.108 8.068 1.00 0.00 C ATOM 888 CD1 ILE A 60 -10.290 12.836 9.022 1.00 0.00 C ATOM 0 H ILE A 60 -12.483 10.477 12.018 1.00 0.00 H new ATOM 0 HA ILE A 60 -13.643 10.254 9.328 1.00 0.00 H new ATOM 0 HB ILE A 60 -10.698 10.299 10.131 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -12.389 12.481 8.843 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -11.801 12.497 10.493 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -10.328 10.536 7.692 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -11.178 9.021 8.079 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -12.082 10.405 7.420 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -10.418 13.918 9.057 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -9.468 12.547 9.677 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -10.065 12.531 8.000 1.00 0.00 H new ATOM 900 N VAL A 61 -13.490 7.810 9.343 1.00 0.00 N ATOM 901 CA VAL A 61 -13.404 6.375 9.283 1.00 0.00 C ATOM 902 C VAL A 61 -12.134 5.973 8.494 1.00 0.00 C ATOM 903 O VAL A 61 -11.921 6.406 7.340 1.00 0.00 O ATOM 904 CB VAL A 61 -14.713 5.749 8.689 1.00 0.00 C ATOM 905 CG1 VAL A 61 -15.032 6.268 7.292 1.00 0.00 C ATOM 906 CG2 VAL A 61 -14.656 4.239 8.707 1.00 0.00 C ATOM 0 H VAL A 61 -14.204 8.217 8.739 1.00 0.00 H new ATOM 0 HA VAL A 61 -13.315 5.972 10.292 1.00 0.00 H new ATOM 0 HB VAL A 61 -15.530 6.068 9.336 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -15.948 5.801 6.931 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -15.166 7.349 7.327 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -14.211 6.026 6.618 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -15.578 3.835 8.289 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -13.808 3.900 8.112 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -14.540 3.891 9.734 1.00 0.00 H new ATOM 916 N THR A 62 -11.283 5.205 9.126 1.00 0.00 N ATOM 917 CA THR A 62 -10.002 4.864 8.571 1.00 0.00 C ATOM 918 C THR A 62 -9.989 3.446 7.995 1.00 0.00 C ATOM 919 O THR A 62 -10.957 2.678 8.156 1.00 0.00 O ATOM 920 CB THR A 62 -8.912 5.008 9.652 1.00 0.00 C ATOM 921 OG1 THR A 62 -9.265 4.219 10.792 1.00 0.00 O ATOM 922 CG2 THR A 62 -8.768 6.457 10.084 1.00 0.00 C ATOM 0 H THR A 62 -11.462 4.798 10.044 1.00 0.00 H new ATOM 0 HA THR A 62 -9.799 5.552 7.750 1.00 0.00 H new ATOM 0 HB THR A 62 -7.965 4.667 9.233 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.572 4.309 11.479 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.993 6.534 10.847 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.492 7.067 9.224 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.715 6.811 10.491 1.00 0.00 H new ATOM 930 N ARG A 63 -8.926 3.115 7.292 1.00 0.00 N ATOM 931 CA ARG A 63 -8.745 1.803 6.708 1.00 0.00 C ATOM 932 C ARG A 63 -7.521 1.167 7.330 1.00 0.00 C ATOM 933 O ARG A 63 -6.585 1.871 7.715 1.00 0.00 O ATOM 934 CB ARG A 63 -8.536 1.913 5.206 1.00 0.00 C ATOM 935 CG ARG A 63 -9.672 2.559 4.409 1.00 0.00 C ATOM 936 CD ARG A 63 -10.964 1.745 4.389 1.00 0.00 C ATOM 937 NE ARG A 63 -11.709 1.782 5.641 1.00 0.00 N ATOM 938 CZ ARG A 63 -13.010 1.520 5.755 1.00 0.00 C ATOM 939 NH1 ARG A 63 -13.730 1.161 4.683 1.00 0.00 N ATOM 940 NH2 ARG A 63 -13.592 1.609 6.943 1.00 0.00 N ATOM 0 H ARG A 63 -8.155 3.757 7.108 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.633 1.199 6.895 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.625 2.485 5.028 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -8.366 0.912 4.810 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.882 3.543 4.829 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.338 2.715 3.383 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.603 2.116 3.587 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -10.724 0.709 4.152 1.00 0.00 H new ATOM 0 HE ARG A 63 -11.198 2.026 6.490 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -13.282 1.086 3.770 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -14.726 0.962 4.781 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -13.044 1.876 7.761 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -14.588 1.410 7.039 1.00 0.00 H new ATOM 954 N ILE A 64 -7.518 -0.132 7.438 1.00 0.00 N ATOM 955 CA ILE A 64 -6.412 -0.829 8.051 1.00 0.00 C ATOM 956 C ILE A 64 -5.633 -1.655 7.012 1.00 0.00 C ATOM 957 O ILE A 64 -6.216 -2.300 6.153 1.00 0.00 O ATOM 958 CB ILE A 64 -6.862 -1.754 9.266 1.00 0.00 C ATOM 959 CG1 ILE A 64 -7.428 -0.940 10.468 1.00 0.00 C ATOM 960 CG2 ILE A 64 -5.720 -2.644 9.753 1.00 0.00 C ATOM 961 CD1 ILE A 64 -8.786 -0.302 10.255 1.00 0.00 C ATOM 0 H ILE A 64 -8.271 -0.736 7.109 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.755 -0.060 8.458 1.00 0.00 H new ATOM 0 HB ILE A 64 -7.663 -2.380 8.873 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.490 -1.601 11.332 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -6.715 -0.155 10.718 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -6.067 -3.260 10.583 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -5.387 -3.287 8.938 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.890 -2.021 10.086 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -9.080 0.238 11.155 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -8.734 0.392 9.416 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -9.522 -1.077 10.040 1.00 0.00 H new ATOM 973 N GLY A 65 -4.325 -1.529 7.060 1.00 0.00 N ATOM 974 CA GLY A 65 -3.399 -2.346 6.294 1.00 0.00 C ATOM 975 C GLY A 65 -3.131 -1.887 4.873 1.00 0.00 C ATOM 976 O GLY A 65 -2.060 -2.182 4.325 1.00 0.00 O ATOM 0 H GLY A 65 -3.860 -0.837 7.648 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.450 -2.383 6.828 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -3.786 -3.364 6.260 1.00 0.00 H new ATOM 980 N SER A 66 -4.038 -1.150 4.278 1.00 0.00 N ATOM 981 CA SER A 66 -3.864 -0.663 2.912 1.00 0.00 C ATOM 982 C SER A 66 -4.792 0.523 2.654 1.00 0.00 C ATOM 983 O SER A 66 -5.870 0.595 3.242 1.00 0.00 O ATOM 984 CB SER A 66 -4.162 -1.793 1.889 1.00 0.00 C ATOM 985 OG SER A 66 -3.266 -2.895 2.051 1.00 0.00 O ATOM 0 H SER A 66 -4.915 -0.867 4.715 1.00 0.00 H new ATOM 0 HA SER A 66 -2.829 -0.342 2.791 1.00 0.00 H new ATOM 0 HB2 SER A 66 -5.189 -2.136 2.013 1.00 0.00 H new ATOM 0 HB3 SER A 66 -4.078 -1.400 0.876 1.00 0.00 H new ATOM 0 HG SER A 66 -2.556 -2.649 2.680 1.00 0.00 H new ATOM 991 N PRO A 67 -4.373 1.496 1.828 1.00 0.00 N ATOM 992 CA PRO A 67 -5.227 2.594 1.455 1.00 0.00 C ATOM 993 C PRO A 67 -6.043 2.277 0.185 1.00 0.00 C ATOM 994 O PRO A 67 -5.497 2.034 -0.890 1.00 0.00 O ATOM 995 CB PRO A 67 -4.242 3.732 1.209 1.00 0.00 C ATOM 996 CG PRO A 67 -2.957 3.070 0.815 1.00 0.00 C ATOM 997 CD PRO A 67 -3.034 1.620 1.232 1.00 0.00 C ATOM 0 HA PRO A 67 -5.972 2.827 2.216 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -4.599 4.397 0.422 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -4.112 4.339 2.105 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -2.801 3.150 -0.261 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -2.112 3.561 1.297 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -2.912 0.952 0.380 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -2.252 1.368 1.949 1.00 0.00 H new ATOM 1005 N PHE A 68 -7.330 2.312 0.355 1.00 0.00 N ATOM 1006 CA PHE A 68 -8.376 2.046 -0.626 1.00 0.00 C ATOM 1007 C PHE A 68 -9.627 2.484 0.070 1.00 0.00 C ATOM 1008 O PHE A 68 -9.556 2.861 1.239 1.00 0.00 O ATOM 1009 CB PHE A 68 -8.572 0.531 -0.948 1.00 0.00 C ATOM 1010 CG PHE A 68 -7.477 -0.185 -1.677 1.00 0.00 C ATOM 1011 CD1 PHE A 68 -7.338 -0.043 -3.046 1.00 0.00 C ATOM 1012 CD2 PHE A 68 -6.618 -1.037 -1.002 1.00 0.00 C ATOM 1013 CE1 PHE A 68 -6.358 -0.730 -3.727 1.00 0.00 C ATOM 1014 CE2 PHE A 68 -5.634 -1.721 -1.678 1.00 0.00 C ATOM 1015 CZ PHE A 68 -5.505 -1.570 -3.043 1.00 0.00 C ATOM 0 H PHE A 68 -7.727 2.548 1.264 1.00 0.00 H new ATOM 0 HA PHE A 68 -8.130 2.545 -1.564 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -8.741 0.010 -0.006 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -9.484 0.431 -1.536 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -8.005 0.613 -3.586 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.722 -1.166 0.065 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.258 -0.611 -4.796 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -4.964 -2.375 -1.141 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.736 -2.110 -3.576 1.00 0.00 H new ATOM 1025 N LEU A 69 -10.748 2.413 -0.577 1.00 0.00 N ATOM 1026 CA LEU A 69 -11.994 2.650 0.118 1.00 0.00 C ATOM 1027 C LEU A 69 -12.505 1.325 0.667 1.00 0.00 C ATOM 1028 O LEU A 69 -12.977 1.241 1.800 1.00 0.00 O ATOM 1029 CB LEU A 69 -13.066 3.321 -0.770 1.00 0.00 C ATOM 1030 CG LEU A 69 -12.827 4.786 -1.206 1.00 0.00 C ATOM 1031 CD1 LEU A 69 -12.541 5.688 -0.013 1.00 0.00 C ATOM 1032 CD2 LEU A 69 -11.743 4.902 -2.264 1.00 0.00 C ATOM 0 H LEU A 69 -10.837 2.197 -1.570 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.798 3.351 0.929 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -13.180 2.718 -1.671 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -14.016 3.281 -0.237 1.00 0.00 H new ATOM 0 HG LEU A 69 -13.754 5.131 -1.664 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -12.378 6.709 -0.359 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.390 5.667 0.670 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.650 5.334 0.505 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -11.612 5.949 -2.537 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.806 4.510 -1.869 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -12.032 4.330 -3.146 1.00 0.00 H new ATOM 1044 N ASN A 70 -12.299 0.277 -0.126 1.00 0.00 N ATOM 1045 CA ASN A 70 -12.756 -1.092 0.176 1.00 0.00 C ATOM 1046 C ASN A 70 -11.702 -1.862 0.977 1.00 0.00 C ATOM 1047 O ASN A 70 -11.651 -3.100 0.959 1.00 0.00 O ATOM 1048 CB ASN A 70 -13.069 -1.861 -1.127 1.00 0.00 C ATOM 1049 CG ASN A 70 -14.205 -1.256 -1.943 1.00 0.00 C ATOM 1050 OD1 ASN A 70 -13.984 -0.404 -2.817 1.00 0.00 O ATOM 1051 ND2 ASN A 70 -15.417 -1.673 -1.674 1.00 0.00 N ATOM 0 H ASN A 70 -11.802 0.348 -1.014 1.00 0.00 H new ATOM 0 HA ASN A 70 -13.663 -1.010 0.775 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -12.170 -1.894 -1.743 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.323 -2.891 -0.877 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -16.212 -1.296 -2.189 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -15.566 -2.375 -0.949 1.00 0.00 H new ATOM 1058 N ALA A 71 -10.880 -1.139 1.689 1.00 0.00 N ATOM 1059 CA ALA A 71 -9.857 -1.738 2.518 1.00 0.00 C ATOM 1060 C ALA A 71 -10.480 -2.112 3.876 1.00 0.00 C ATOM 1061 O ALA A 71 -11.568 -1.608 4.198 1.00 0.00 O ATOM 1062 CB ALA A 71 -8.700 -0.763 2.686 1.00 0.00 C ATOM 0 H ALA A 71 -10.897 -0.119 1.714 1.00 0.00 H new ATOM 0 HA ALA A 71 -9.465 -2.642 2.051 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -7.930 -1.216 3.311 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.280 -0.525 1.709 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.060 0.151 3.159 1.00 0.00 H new ATOM 1068 N PRO A 72 -9.829 -3.019 4.659 1.00 0.00 N ATOM 1069 CA PRO A 72 -10.337 -3.490 5.964 1.00 0.00 C ATOM 1070 C PRO A 72 -10.810 -2.379 6.906 1.00 0.00 C ATOM 1071 O PRO A 72 -10.136 -1.345 7.090 1.00 0.00 O ATOM 1072 CB PRO A 72 -9.143 -4.227 6.560 1.00 0.00 C ATOM 1073 CG PRO A 72 -8.439 -4.764 5.375 1.00 0.00 C ATOM 1074 CD PRO A 72 -8.552 -3.696 4.325 1.00 0.00 C ATOM 0 HA PRO A 72 -11.229 -4.102 5.830 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -8.505 -3.557 7.136 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -9.459 -5.023 7.234 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -7.396 -4.982 5.603 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -8.893 -5.696 5.038 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -7.709 -3.005 4.362 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -8.573 -4.120 3.321 1.00 0.00 H new ATOM 1082 N VAL A 73 -11.957 -2.624 7.501 1.00 0.00 N ATOM 1083 CA VAL A 73 -12.620 -1.706 8.409 1.00 0.00 C ATOM 1084 C VAL A 73 -12.175 -1.960 9.855 1.00 0.00 C ATOM 1085 O VAL A 73 -11.432 -2.915 10.128 1.00 0.00 O ATOM 1086 CB VAL A 73 -14.176 -1.831 8.315 1.00 0.00 C ATOM 1087 CG1 VAL A 73 -14.646 -1.630 6.885 1.00 0.00 C ATOM 1088 CG2 VAL A 73 -14.679 -3.167 8.862 1.00 0.00 C ATOM 0 H VAL A 73 -12.472 -3.494 7.364 1.00 0.00 H new ATOM 0 HA VAL A 73 -12.335 -0.696 8.114 1.00 0.00 H new ATOM 0 HB VAL A 73 -14.600 -1.044 8.938 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -15.731 -1.721 6.843 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -14.351 -0.639 6.541 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -14.193 -2.386 6.243 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -15.765 -3.210 8.777 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -14.238 -3.984 8.290 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -14.394 -3.262 9.910 1.00 0.00 H new ATOM 1098 N GLY A 74 -12.611 -1.112 10.757 1.00 0.00 N ATOM 1099 CA GLY A 74 -12.295 -1.283 12.153 1.00 0.00 C ATOM 1100 C GLY A 74 -11.511 -0.137 12.737 1.00 0.00 C ATOM 1101 O GLY A 74 -10.741 -0.323 13.688 1.00 0.00 O ATOM 0 H GLY A 74 -13.186 -0.296 10.547 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -13.221 -1.403 12.715 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.725 -2.204 12.278 1.00 0.00 H new ATOM 1105 N GLY A 75 -11.694 1.046 12.191 1.00 0.00 N ATOM 1106 CA GLY A 75 -10.999 2.189 12.707 1.00 0.00 C ATOM 1107 C GLY A 75 -11.764 3.472 12.503 1.00 0.00 C ATOM 1108 O GLY A 75 -12.280 3.732 11.411 1.00 0.00 O ATOM 0 H GLY A 75 -12.311 1.233 11.401 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -10.813 2.047 13.771 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.027 2.269 12.221 1.00 0.00 H new ATOM 1112 N ASN A 76 -11.933 4.223 13.556 1.00 0.00 N ATOM 1113 CA ASN A 76 -12.524 5.548 13.470 1.00 0.00 C ATOM 1114 C ASN A 76 -11.594 6.513 14.166 1.00 0.00 C ATOM 1115 O ASN A 76 -11.174 6.252 15.303 1.00 0.00 O ATOM 1116 CB ASN A 76 -13.907 5.610 14.143 1.00 0.00 C ATOM 1117 CG ASN A 76 -14.632 6.933 13.880 1.00 0.00 C ATOM 1118 OD1 ASN A 76 -14.486 7.541 12.821 1.00 0.00 O ATOM 1119 ND2 ASN A 76 -15.400 7.391 14.835 1.00 0.00 N ATOM 0 H ASN A 76 -11.669 3.943 14.500 1.00 0.00 H new ATOM 0 HA ASN A 76 -12.660 5.803 12.419 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -14.521 4.785 13.780 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -13.790 5.471 15.218 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -15.896 8.274 14.711 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -15.503 6.865 15.703 1.00 0.00 H new ATOM 1126 N LEU A 77 -11.231 7.571 13.501 1.00 0.00 N ATOM 1127 CA LEU A 77 -10.378 8.580 14.078 1.00 0.00 C ATOM 1128 C LEU A 77 -11.242 9.760 14.506 1.00 0.00 C ATOM 1129 O LEU A 77 -11.794 10.464 13.656 1.00 0.00 O ATOM 1130 CB LEU A 77 -9.320 9.046 13.066 1.00 0.00 C ATOM 1131 CG LEU A 77 -8.306 10.082 13.579 1.00 0.00 C ATOM 1132 CD1 LEU A 77 -7.444 9.497 14.686 1.00 0.00 C ATOM 1133 CD2 LEU A 77 -7.441 10.600 12.444 1.00 0.00 C ATOM 0 H LEU A 77 -11.517 7.763 12.541 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.858 8.162 14.939 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.771 8.172 12.716 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.833 9.467 12.201 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.865 10.922 13.992 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.735 10.250 15.031 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.079 9.188 15.517 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.899 8.633 14.305 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.732 11.331 12.832 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.897 9.770 11.993 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.073 11.071 11.691 1.00 0.00 H new ATOM 1145 N PRO A 78 -11.402 9.976 15.814 1.00 0.00 N ATOM 1146 CA PRO A 78 -12.225 11.059 16.332 1.00 0.00 C ATOM 1147 C PRO A 78 -11.567 12.433 16.155 1.00 0.00 C ATOM 1148 O PRO A 78 -10.324 12.554 16.083 1.00 0.00 O ATOM 1149 CB PRO A 78 -12.375 10.718 17.815 1.00 0.00 C ATOM 1150 CG PRO A 78 -11.158 9.929 18.148 1.00 0.00 C ATOM 1151 CD PRO A 78 -10.792 9.176 16.902 1.00 0.00 C ATOM 0 HA PRO A 78 -13.175 11.134 15.803 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -12.441 11.620 18.424 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -13.282 10.143 17.999 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -10.344 10.583 18.461 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -11.352 9.244 18.974 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -9.711 9.099 16.784 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -11.184 8.159 16.919 1.00 0.00 H new ATOM 1159 N ALA A 79 -12.395 13.451 16.088 1.00 0.00 N ATOM 1160 CA ALA A 79 -11.942 14.806 15.924 1.00 0.00 C ATOM 1161 C ALA A 79 -11.265 15.280 17.195 1.00 0.00 C ATOM 1162 O ALA A 79 -11.682 14.925 18.304 1.00 0.00 O ATOM 1163 CB ALA A 79 -13.108 15.715 15.561 1.00 0.00 C ATOM 0 H ALA A 79 -13.409 13.357 16.147 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.218 14.843 15.110 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.749 16.737 15.440 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.557 15.376 14.628 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -13.854 15.684 16.355 1.00 0.00 H new ATOM 1169 N GLY A 80 -10.209 16.030 17.042 1.00 0.00 N ATOM 1170 CA GLY A 80 -9.495 16.545 18.175 1.00 0.00 C ATOM 1171 C GLY A 80 -8.310 15.691 18.551 1.00 0.00 C ATOM 1172 O GLY A 80 -7.522 16.074 19.413 1.00 0.00 O ATOM 0 H GLY A 80 -9.823 16.299 16.137 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.154 17.557 17.956 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -10.173 16.615 19.026 1.00 0.00 H new ATOM 1176 N ALA A 81 -8.173 14.544 17.911 1.00 0.00 N ATOM 1177 CA ALA A 81 -7.093 13.619 18.211 1.00 0.00 C ATOM 1178 C ALA A 81 -5.812 14.007 17.484 1.00 0.00 C ATOM 1179 O ALA A 81 -5.845 14.375 16.305 1.00 0.00 O ATOM 1180 CB ALA A 81 -7.498 12.195 17.851 1.00 0.00 C ATOM 0 H ALA A 81 -8.802 14.228 17.173 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.897 13.670 19.282 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.678 11.514 18.082 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.379 11.911 18.427 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.727 12.140 16.787 1.00 0.00 H new ATOM 1186 N THR A 82 -4.710 13.943 18.189 1.00 0.00 N ATOM 1187 CA THR A 82 -3.412 14.243 17.638 1.00 0.00 C ATOM 1188 C THR A 82 -2.658 12.928 17.385 1.00 0.00 C ATOM 1189 O THR A 82 -2.307 12.211 18.332 1.00 0.00 O ATOM 1190 CB THR A 82 -2.610 15.117 18.624 1.00 0.00 C ATOM 1191 OG1 THR A 82 -3.372 16.291 18.955 1.00 0.00 O ATOM 1192 CG2 THR A 82 -1.275 15.531 18.024 1.00 0.00 C ATOM 0 H THR A 82 -4.689 13.678 19.174 1.00 0.00 H new ATOM 0 HA THR A 82 -3.533 14.787 16.701 1.00 0.00 H new ATOM 0 HB THR A 82 -2.417 14.533 19.524 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.863 16.845 19.583 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.730 16.146 18.740 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.690 14.642 17.790 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.448 16.102 17.112 1.00 0.00 H new ATOM 1200 N ILE A 83 -2.423 12.611 16.138 1.00 0.00 N ATOM 1201 CA ILE A 83 -1.779 11.364 15.765 1.00 0.00 C ATOM 1202 C ILE A 83 -0.588 11.657 14.857 1.00 0.00 C ATOM 1203 O ILE A 83 -0.690 12.464 13.937 1.00 0.00 O ATOM 1204 CB ILE A 83 -2.780 10.414 15.019 1.00 0.00 C ATOM 1205 CG1 ILE A 83 -4.003 10.068 15.898 1.00 0.00 C ATOM 1206 CG2 ILE A 83 -2.091 9.139 14.544 1.00 0.00 C ATOM 1207 CD1 ILE A 83 -3.677 9.324 17.184 1.00 0.00 C ATOM 0 H ILE A 83 -2.670 13.206 15.347 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.442 10.866 16.675 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.137 10.957 14.144 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.523 10.992 16.152 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.695 9.464 15.311 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.814 8.504 14.032 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.283 9.396 13.859 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.683 8.605 15.402 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.598 9.126 17.733 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.187 8.380 16.944 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -3.013 9.932 17.798 1.00 0.00 H new ATOM 1219 N VAL A 84 0.530 11.040 15.127 1.00 0.00 N ATOM 1220 CA VAL A 84 1.697 11.218 14.298 1.00 0.00 C ATOM 1221 C VAL A 84 1.749 10.122 13.226 1.00 0.00 C ATOM 1222 O VAL A 84 1.492 8.939 13.515 1.00 0.00 O ATOM 1223 CB VAL A 84 3.017 11.275 15.137 1.00 0.00 C ATOM 1224 CG1 VAL A 84 3.264 9.990 15.902 1.00 0.00 C ATOM 1225 CG2 VAL A 84 4.216 11.627 14.276 1.00 0.00 C ATOM 0 H VAL A 84 0.660 10.407 15.916 1.00 0.00 H new ATOM 0 HA VAL A 84 1.615 12.185 13.801 1.00 0.00 H new ATOM 0 HB VAL A 84 2.883 12.072 15.869 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.191 10.077 16.469 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.435 9.809 16.586 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.344 9.159 15.201 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.113 11.657 14.895 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.338 10.875 13.497 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.060 12.603 13.817 1.00 0.00 H new ATOM 1235 N TYR A 85 2.038 10.511 12.008 1.00 0.00 N ATOM 1236 CA TYR A 85 2.087 9.582 10.901 1.00 0.00 C ATOM 1237 C TYR A 85 3.476 9.551 10.317 1.00 0.00 C ATOM 1238 O TYR A 85 4.254 10.492 10.513 1.00 0.00 O ATOM 1239 CB TYR A 85 1.042 9.930 9.820 1.00 0.00 C ATOM 1240 CG TYR A 85 1.190 11.314 9.198 1.00 0.00 C ATOM 1241 CD1 TYR A 85 2.004 11.522 8.085 1.00 0.00 C ATOM 1242 CD2 TYR A 85 0.505 12.408 9.715 1.00 0.00 C ATOM 1243 CE1 TYR A 85 2.130 12.775 7.520 1.00 0.00 C ATOM 1244 CE2 TYR A 85 0.632 13.663 9.150 1.00 0.00 C ATOM 1245 CZ TYR A 85 1.441 13.837 8.056 1.00 0.00 C ATOM 1246 OH TYR A 85 1.566 15.092 7.492 1.00 0.00 O ATOM 0 H TYR A 85 2.246 11.477 11.755 1.00 0.00 H new ATOM 0 HA TYR A 85 1.840 8.590 11.279 1.00 0.00 H new ATOM 0 HB2 TYR A 85 1.100 9.184 9.027 1.00 0.00 H new ATOM 0 HB3 TYR A 85 0.048 9.851 10.259 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.544 10.690 7.658 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -0.137 12.275 10.573 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.767 12.921 6.660 1.00 0.00 H new ATOM 0 HE2 TYR A 85 0.097 14.503 9.568 1.00 0.00 H new ATOM 0 HH TYR A 85 1.744 15.003 6.532 1.00 0.00 H new ATOM 1256 N ASP A 86 3.792 8.497 9.608 1.00 0.00 N ATOM 1257 CA ASP A 86 5.124 8.347 9.043 1.00 0.00 C ATOM 1258 C ASP A 86 5.089 7.997 7.564 1.00 0.00 C ATOM 1259 O ASP A 86 6.131 7.983 6.890 1.00 0.00 O ATOM 1260 CB ASP A 86 5.924 7.283 9.807 1.00 0.00 C ATOM 1261 CG ASP A 86 5.361 5.880 9.669 1.00 0.00 C ATOM 1262 OD1 ASP A 86 4.479 5.495 10.449 1.00 0.00 O ATOM 1263 OD2 ASP A 86 5.818 5.121 8.790 1.00 0.00 O ATOM 0 H ASP A 86 3.153 7.728 9.405 1.00 0.00 H new ATOM 0 HA ASP A 86 5.616 9.314 9.145 1.00 0.00 H new ATOM 0 HB2 ASP A 86 6.953 7.289 9.449 1.00 0.00 H new ATOM 0 HB3 ASP A 86 5.952 7.551 10.863 1.00 0.00 H new ATOM 1268 N GLU A 87 3.927 7.727 7.045 1.00 0.00 N ATOM 1269 CA GLU A 87 3.816 7.318 5.672 1.00 0.00 C ATOM 1270 C GLU A 87 2.733 8.135 4.996 1.00 0.00 C ATOM 1271 O GLU A 87 1.601 8.152 5.443 1.00 0.00 O ATOM 1272 CB GLU A 87 3.503 5.823 5.648 1.00 0.00 C ATOM 1273 CG GLU A 87 3.598 5.138 4.302 1.00 0.00 C ATOM 1274 CD GLU A 87 3.490 3.636 4.449 1.00 0.00 C ATOM 1275 OE1 GLU A 87 4.416 3.027 5.034 1.00 0.00 O ATOM 1276 OE2 GLU A 87 2.489 3.039 4.032 1.00 0.00 O ATOM 0 H GLU A 87 3.042 7.782 7.550 1.00 0.00 H new ATOM 0 HA GLU A 87 4.745 7.489 5.127 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.183 5.320 6.336 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.494 5.679 6.034 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.805 5.501 3.648 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.545 5.393 3.826 1.00 0.00 H new ATOM 1283 N VAL A 88 3.092 8.845 3.965 1.00 0.00 N ATOM 1284 CA VAL A 88 2.138 9.658 3.234 1.00 0.00 C ATOM 1285 C VAL A 88 1.843 8.953 1.920 1.00 0.00 C ATOM 1286 O VAL A 88 2.748 8.729 1.132 1.00 0.00 O ATOM 1287 CB VAL A 88 2.707 11.076 2.959 1.00 0.00 C ATOM 1288 CG1 VAL A 88 1.672 11.961 2.306 1.00 0.00 C ATOM 1289 CG2 VAL A 88 3.234 11.717 4.233 1.00 0.00 C ATOM 0 H VAL A 88 4.045 8.883 3.602 1.00 0.00 H new ATOM 0 HA VAL A 88 1.229 9.779 3.823 1.00 0.00 H new ATOM 0 HB VAL A 88 3.543 10.964 2.268 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.099 12.948 2.125 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.362 11.520 1.358 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.807 12.055 2.962 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.625 12.709 4.006 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.425 11.803 4.958 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.030 11.099 4.649 1.00 0.00 H new ATOM 1299 N CYS A 89 0.604 8.589 1.701 1.00 0.00 N ATOM 1300 CA CYS A 89 0.242 7.776 0.557 1.00 0.00 C ATOM 1301 C CYS A 89 -0.820 8.435 -0.326 1.00 0.00 C ATOM 1302 O CYS A 89 -1.823 8.911 0.161 1.00 0.00 O ATOM 1303 CB CYS A 89 -0.316 6.458 1.067 1.00 0.00 C ATOM 1304 SG CYS A 89 0.748 5.596 2.231 1.00 0.00 S ATOM 0 H CYS A 89 -0.179 8.843 2.303 1.00 0.00 H new ATOM 0 HA CYS A 89 1.138 7.639 -0.048 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -1.278 6.646 1.544 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -0.505 5.805 0.215 1.00 0.00 H new ATOM 0 HG CYS A 89 0.952 6.348 3.271 1.00 0.00 H new ATOM 1310 N ILE A 90 -0.605 8.433 -1.612 1.00 0.00 N ATOM 1311 CA ILE A 90 -1.607 8.909 -2.534 1.00 0.00 C ATOM 1312 C ILE A 90 -2.392 7.732 -3.102 1.00 0.00 C ATOM 1313 O ILE A 90 -1.837 6.857 -3.789 1.00 0.00 O ATOM 1314 CB ILE A 90 -1.042 9.790 -3.710 1.00 0.00 C ATOM 1315 CG1 ILE A 90 -0.477 11.119 -3.177 1.00 0.00 C ATOM 1316 CG2 ILE A 90 -2.127 10.061 -4.770 1.00 0.00 C ATOM 1317 CD1 ILE A 90 0.066 12.047 -4.259 1.00 0.00 C ATOM 0 H ILE A 90 0.257 8.107 -2.050 1.00 0.00 H new ATOM 0 HA ILE A 90 -2.257 9.564 -1.954 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.233 9.232 -4.181 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.261 11.640 -2.628 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.320 10.903 -2.466 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.709 10.672 -5.570 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.478 9.115 -5.181 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.962 10.589 -4.309 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.444 12.960 -3.799 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.874 11.548 -4.794 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.732 12.297 -4.958 1.00 0.00 H new ATOM 1329 N GLN A 91 -3.647 7.694 -2.753 1.00 0.00 N ATOM 1330 CA GLN A 91 -4.603 6.771 -3.300 1.00 0.00 C ATOM 1331 C GLN A 91 -5.667 7.662 -3.900 1.00 0.00 C ATOM 1332 O GLN A 91 -6.124 8.573 -3.229 1.00 0.00 O ATOM 1333 CB GLN A 91 -5.165 5.826 -2.205 1.00 0.00 C ATOM 1334 CG GLN A 91 -6.245 4.849 -2.684 1.00 0.00 C ATOM 1335 CD GLN A 91 -5.768 3.965 -3.839 1.00 0.00 C ATOM 1336 OE1 GLN A 91 -5.888 4.334 -5.028 1.00 0.00 O ATOM 1337 NE2 GLN A 91 -5.266 2.806 -3.524 1.00 0.00 N ATOM 0 H GLN A 91 -4.046 8.325 -2.058 1.00 0.00 H new ATOM 0 HA GLN A 91 -4.171 6.100 -4.043 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -4.340 5.253 -1.782 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -5.577 6.433 -1.399 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -6.553 4.217 -1.851 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -7.124 5.411 -3.000 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -5.182 2.536 -2.544 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -4.956 2.168 -4.257 1.00 0.00 H new ATOM 1346 N ALA A 92 -6.091 7.364 -5.108 1.00 0.00 N ATOM 1347 CA ALA A 92 -6.862 8.296 -5.945 1.00 0.00 C ATOM 1348 C ALA A 92 -8.037 8.949 -5.228 1.00 0.00 C ATOM 1349 O ALA A 92 -8.949 8.279 -4.741 1.00 0.00 O ATOM 1350 CB ALA A 92 -7.347 7.580 -7.182 1.00 0.00 C ATOM 0 H ALA A 92 -5.916 6.463 -5.554 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.183 9.107 -6.208 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.918 8.271 -7.802 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.492 7.209 -7.746 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.982 6.743 -6.892 1.00 0.00 H new ATOM 1356 N GLY A 93 -7.962 10.258 -5.110 1.00 0.00 N ATOM 1357 CA GLY A 93 -9.011 11.012 -4.495 1.00 0.00 C ATOM 1358 C GLY A 93 -8.621 11.538 -3.135 1.00 0.00 C ATOM 1359 O GLY A 93 -9.177 12.532 -2.663 1.00 0.00 O ATOM 0 H GLY A 93 -7.175 10.817 -5.438 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.281 11.848 -5.141 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.897 10.385 -4.398 1.00 0.00 H new ATOM 1363 N HIS A 94 -7.647 10.909 -2.499 1.00 0.00 N ATOM 1364 CA HIS A 94 -7.253 11.301 -1.148 1.00 0.00 C ATOM 1365 C HIS A 94 -5.763 11.147 -0.968 1.00 0.00 C ATOM 1366 O HIS A 94 -5.081 10.574 -1.805 1.00 0.00 O ATOM 1367 CB HIS A 94 -7.963 10.428 -0.085 1.00 0.00 C ATOM 1368 CG HIS A 94 -9.451 10.459 -0.142 1.00 0.00 C ATOM 1369 ND1 HIS A 94 -10.206 9.432 -0.672 1.00 0.00 N ATOM 1370 CD2 HIS A 94 -10.327 11.411 0.234 1.00 0.00 C ATOM 1371 CE1 HIS A 94 -11.475 9.758 -0.619 1.00 0.00 C ATOM 1372 NE2 HIS A 94 -11.571 10.952 -0.076 1.00 0.00 N ATOM 0 H HIS A 94 -7.116 10.130 -2.889 1.00 0.00 H new ATOM 0 HA HIS A 94 -7.542 12.344 -1.015 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -7.631 9.397 -0.202 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -7.645 10.755 0.905 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -10.088 12.358 0.694 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -12.299 9.151 -0.962 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -12.442 11.456 0.088 1.00 0.00 H new ATOM 1381 N ILE A 95 -5.267 11.661 0.102 1.00 0.00 N ATOM 1382 CA ILE A 95 -3.901 11.461 0.460 1.00 0.00 C ATOM 1383 C ILE A 95 -3.905 10.910 1.877 1.00 0.00 C ATOM 1384 O ILE A 95 -4.232 11.588 2.829 1.00 0.00 O ATOM 1385 CB ILE A 95 -3.033 12.752 0.271 1.00 0.00 C ATOM 1386 CG1 ILE A 95 -1.555 12.500 0.584 1.00 0.00 C ATOM 1387 CG2 ILE A 95 -3.570 13.928 1.065 1.00 0.00 C ATOM 1388 CD1 ILE A 95 -0.661 13.689 0.271 1.00 0.00 C ATOM 0 H ILE A 95 -5.797 12.235 0.758 1.00 0.00 H new ATOM 0 HA ILE A 95 -3.418 10.746 -0.206 1.00 0.00 H new ATOM 0 HB ILE A 95 -3.104 13.017 -0.784 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -1.453 12.246 1.639 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -1.212 11.637 0.013 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -2.935 14.798 0.901 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -4.585 14.154 0.739 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -3.576 13.678 2.126 1.00 0.00 H new ATOM 0 HD11 ILE A 95 0.372 13.442 0.516 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.734 13.930 -0.789 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -0.979 14.548 0.861 1.00 0.00 H new ATOM 1400 N TRP A 96 -3.564 9.682 1.984 1.00 0.00 N ATOM 1401 CA TRP A 96 -3.757 8.929 3.181 1.00 0.00 C ATOM 1402 C TRP A 96 -2.512 8.938 4.015 1.00 0.00 C ATOM 1403 O TRP A 96 -1.399 8.846 3.495 1.00 0.00 O ATOM 1404 CB TRP A 96 -4.116 7.470 2.826 1.00 0.00 C ATOM 1405 CG TRP A 96 -5.369 7.300 1.998 1.00 0.00 C ATOM 1406 CD1 TRP A 96 -5.543 7.639 0.687 1.00 0.00 C ATOM 1407 CD2 TRP A 96 -6.604 6.713 2.420 1.00 0.00 C ATOM 1408 NE1 TRP A 96 -6.817 7.322 0.279 1.00 0.00 N ATOM 1409 CE2 TRP A 96 -7.485 6.754 1.321 1.00 0.00 C ATOM 1410 CE3 TRP A 96 -7.052 6.170 3.619 1.00 0.00 C ATOM 1411 CZ2 TRP A 96 -8.785 6.269 1.390 1.00 0.00 C ATOM 1412 CZ3 TRP A 96 -8.340 5.688 3.684 1.00 0.00 C ATOM 1413 CH2 TRP A 96 -9.194 5.742 2.578 1.00 0.00 C ATOM 0 H TRP A 96 -3.131 9.152 1.228 1.00 0.00 H new ATOM 0 HA TRP A 96 -4.569 9.384 3.748 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -3.279 7.028 2.285 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -4.231 6.905 3.751 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -4.788 8.091 0.061 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -7.200 7.486 -0.652 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -6.403 6.127 4.481 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -9.445 6.308 0.536 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -8.698 5.259 4.608 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -10.199 5.358 2.667 1.00 0.00 H new ATOM 1424 N ILE A 97 -2.689 9.076 5.290 1.00 0.00 N ATOM 1425 CA ILE A 97 -1.591 9.026 6.196 1.00 0.00 C ATOM 1426 C ILE A 97 -1.544 7.651 6.840 1.00 0.00 C ATOM 1427 O ILE A 97 -2.561 7.142 7.332 1.00 0.00 O ATOM 1428 CB ILE A 97 -1.635 10.143 7.286 1.00 0.00 C ATOM 1429 CG1 ILE A 97 -2.884 10.020 8.180 1.00 0.00 C ATOM 1430 CG2 ILE A 97 -1.582 11.521 6.623 1.00 0.00 C ATOM 1431 CD1 ILE A 97 -2.881 10.932 9.391 1.00 0.00 C ATOM 0 H ILE A 97 -3.597 9.226 5.730 1.00 0.00 H new ATOM 0 HA ILE A 97 -0.683 9.209 5.621 1.00 0.00 H new ATOM 0 HB ILE A 97 -0.763 10.020 7.929 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -3.768 10.236 7.580 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.973 8.988 8.518 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -1.613 12.295 7.390 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -0.659 11.614 6.051 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -2.436 11.637 5.956 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -3.796 10.780 9.963 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -2.019 10.702 10.017 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -2.826 11.970 9.064 1.00 0.00 H new ATOM 1443 N GLY A 98 -0.405 7.042 6.773 1.00 0.00 N ATOM 1444 CA GLY A 98 -0.208 5.754 7.341 1.00 0.00 C ATOM 1445 C GLY A 98 0.540 5.851 8.634 1.00 0.00 C ATOM 1446 O GLY A 98 1.599 6.508 8.711 1.00 0.00 O ATOM 0 H GLY A 98 0.421 7.431 6.318 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.172 5.274 7.509 1.00 0.00 H new ATOM 0 HA3 GLY A 98 0.344 5.124 6.643 1.00 0.00 H new ATOM 1450 N TYR A 99 -0.010 5.251 9.643 1.00 0.00 N ATOM 1451 CA TYR A 99 0.585 5.220 10.949 1.00 0.00 C ATOM 1452 C TYR A 99 0.335 3.874 11.582 1.00 0.00 C ATOM 1453 O TYR A 99 -0.650 3.215 11.267 1.00 0.00 O ATOM 1454 CB TYR A 99 0.063 6.373 11.833 1.00 0.00 C ATOM 1455 CG TYR A 99 -1.451 6.478 11.977 1.00 0.00 C ATOM 1456 CD1 TYR A 99 -2.198 7.239 11.083 1.00 0.00 C ATOM 1457 CD2 TYR A 99 -2.126 5.849 13.021 1.00 0.00 C ATOM 1458 CE1 TYR A 99 -3.567 7.367 11.217 1.00 0.00 C ATOM 1459 CE2 TYR A 99 -3.496 5.979 13.166 1.00 0.00 C ATOM 1460 CZ TYR A 99 -4.210 6.739 12.259 1.00 0.00 C ATOM 1461 OH TYR A 99 -5.577 6.880 12.405 1.00 0.00 O ATOM 0 H TYR A 99 -0.902 4.759 9.584 1.00 0.00 H new ATOM 0 HA TYR A 99 1.661 5.365 10.852 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.495 6.265 12.828 1.00 0.00 H new ATOM 0 HB3 TYR A 99 0.434 7.313 11.425 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -1.697 7.740 10.268 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -1.571 5.250 13.728 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -4.129 7.957 10.508 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -4.004 5.489 13.983 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.876 6.373 13.189 1.00 0.00 H new ATOM 1471 N ASN A 100 1.225 3.449 12.424 1.00 0.00 N ATOM 1472 CA ASN A 100 1.080 2.162 13.080 1.00 0.00 C ATOM 1473 C ASN A 100 0.594 2.400 14.482 1.00 0.00 C ATOM 1474 O ASN A 100 1.258 3.087 15.263 1.00 0.00 O ATOM 1475 CB ASN A 100 2.412 1.412 13.107 1.00 0.00 C ATOM 1476 CG ASN A 100 2.292 -0.004 13.666 1.00 0.00 C ATOM 1477 OD1 ASN A 100 1.269 -0.665 13.521 1.00 0.00 O ATOM 1478 ND2 ASN A 100 3.330 -0.471 14.306 1.00 0.00 N ATOM 0 H ASN A 100 2.065 3.967 12.682 1.00 0.00 H new ATOM 0 HA ASN A 100 0.365 1.550 12.530 1.00 0.00 H new ATOM 0 HB2 ASN A 100 2.815 1.364 12.096 1.00 0.00 H new ATOM 0 HB3 ASN A 100 3.126 1.974 13.708 1.00 0.00 H new ATOM 0 HD21 ASN A 100 3.305 -1.411 14.702 1.00 0.00 H new ATOM 0 HD22 ASN A 100 4.166 0.104 14.410 1.00 0.00 H new ATOM 1485 N ALA A 101 -0.554 1.879 14.801 1.00 0.00 N ATOM 1486 CA ALA A 101 -1.125 2.097 16.098 1.00 0.00 C ATOM 1487 C ALA A 101 -0.624 1.058 17.092 1.00 0.00 C ATOM 1488 O ALA A 101 -0.023 0.046 16.707 1.00 0.00 O ATOM 1489 CB ALA A 101 -2.646 2.101 16.026 1.00 0.00 C ATOM 0 H ALA A 101 -1.115 1.298 14.179 1.00 0.00 H new ATOM 0 HA ALA A 101 -0.805 3.077 16.451 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -3.057 2.268 17.022 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.977 2.897 15.359 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -2.995 1.141 15.646 1.00 0.00 H new ATOM 1495 N TYR A 102 -0.895 1.314 18.363 1.00 0.00 N ATOM 1496 CA TYR A 102 -0.517 0.463 19.504 1.00 0.00 C ATOM 1497 C TYR A 102 -0.968 -0.995 19.337 1.00 0.00 C ATOM 1498 O TYR A 102 -0.358 -1.906 19.883 1.00 0.00 O ATOM 1499 CB TYR A 102 -1.109 1.055 20.809 1.00 0.00 C ATOM 1500 CG TYR A 102 -2.624 1.230 20.787 1.00 0.00 C ATOM 1501 CD1 TYR A 102 -3.474 0.200 21.178 1.00 0.00 C ATOM 1502 CD2 TYR A 102 -3.196 2.419 20.359 1.00 0.00 C ATOM 1503 CE1 TYR A 102 -4.842 0.350 21.141 1.00 0.00 C ATOM 1504 CE2 TYR A 102 -4.564 2.576 20.319 1.00 0.00 C ATOM 1505 CZ TYR A 102 -5.382 1.536 20.709 1.00 0.00 C ATOM 1506 OH TYR A 102 -6.751 1.689 20.671 1.00 0.00 O ATOM 0 H TYR A 102 -1.404 2.150 18.649 1.00 0.00 H new ATOM 0 HA TYR A 102 0.572 0.451 19.553 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -0.842 0.406 21.643 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -0.646 2.023 20.998 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -3.053 -0.735 21.517 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -2.558 3.235 20.052 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -5.486 -0.460 21.450 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -4.994 3.508 19.984 1.00 0.00 H new ATOM 0 HH TYR A 102 -6.971 2.586 20.343 1.00 0.00 H new ATOM 1516 N ASN A 103 -2.012 -1.199 18.555 1.00 0.00 N ATOM 1517 CA ASN A 103 -2.592 -2.518 18.355 1.00 0.00 C ATOM 1518 C ASN A 103 -1.821 -3.287 17.263 1.00 0.00 C ATOM 1519 O ASN A 103 -2.102 -4.442 16.977 1.00 0.00 O ATOM 1520 CB ASN A 103 -4.102 -2.377 18.028 1.00 0.00 C ATOM 1521 CG ASN A 103 -4.854 -3.698 17.923 1.00 0.00 C ATOM 1522 OD1 ASN A 103 -5.313 -4.242 18.931 1.00 0.00 O ATOM 1523 ND2 ASN A 103 -5.044 -4.187 16.721 1.00 0.00 N ATOM 0 H ASN A 103 -2.483 -0.456 18.039 1.00 0.00 H new ATOM 0 HA ASN A 103 -2.505 -3.103 19.271 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -4.572 -1.767 18.799 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -4.208 -1.838 17.087 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -5.586 -5.043 16.598 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -4.650 -3.712 15.909 1.00 0.00 H new ATOM 1530 N GLY A 104 -0.845 -2.626 16.658 1.00 0.00 N ATOM 1531 CA GLY A 104 -0.001 -3.266 15.658 1.00 0.00 C ATOM 1532 C GLY A 104 -0.582 -3.158 14.278 1.00 0.00 C ATOM 1533 O GLY A 104 -0.067 -3.735 13.316 1.00 0.00 O ATOM 0 H GLY A 104 -0.618 -1.649 16.841 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.988 -2.808 15.672 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.131 -4.317 15.914 1.00 0.00 H new ATOM 1537 N ASN A 105 -1.630 -2.412 14.179 1.00 0.00 N ATOM 1538 CA ASN A 105 -2.345 -2.227 12.955 1.00 0.00 C ATOM 1539 C ASN A 105 -1.874 -0.981 12.234 1.00 0.00 C ATOM 1540 O ASN A 105 -1.753 0.102 12.831 1.00 0.00 O ATOM 1541 CB ASN A 105 -3.875 -2.200 13.199 1.00 0.00 C ATOM 1542 CG ASN A 105 -4.340 -1.177 14.248 1.00 0.00 C ATOM 1543 OD1 ASN A 105 -3.627 -0.864 15.210 1.00 0.00 O ATOM 1544 ND2 ASN A 105 -5.537 -0.681 14.090 1.00 0.00 N ATOM 0 H ASN A 105 -2.026 -1.899 14.967 1.00 0.00 H new ATOM 0 HA ASN A 105 -2.134 -3.080 12.310 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -4.376 -1.985 12.255 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -4.197 -3.193 13.512 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -5.908 -0.017 14.770 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -6.102 -0.958 13.287 1.00 0.00 H new ATOM 1551 N ARG A 106 -1.578 -1.143 10.969 1.00 0.00 N ATOM 1552 CA ARG A 106 -1.139 -0.060 10.127 1.00 0.00 C ATOM 1553 C ARG A 106 -2.390 0.651 9.623 1.00 0.00 C ATOM 1554 O ARG A 106 -3.090 0.145 8.759 1.00 0.00 O ATOM 1555 CB ARG A 106 -0.325 -0.634 8.957 1.00 0.00 C ATOM 1556 CG ARG A 106 0.435 0.380 8.111 1.00 0.00 C ATOM 1557 CD ARG A 106 1.496 1.104 8.926 1.00 0.00 C ATOM 1558 NE ARG A 106 2.410 1.885 8.080 1.00 0.00 N ATOM 1559 CZ ARG A 106 3.235 2.845 8.515 1.00 0.00 C ATOM 1560 NH1 ARG A 106 3.199 3.247 9.778 1.00 0.00 N ATOM 1561 NH2 ARG A 106 4.093 3.400 7.694 1.00 0.00 N ATOM 0 H ARG A 106 -1.636 -2.041 10.490 1.00 0.00 H new ATOM 0 HA ARG A 106 -0.504 0.642 10.668 1.00 0.00 H new ATOM 0 HB2 ARG A 106 0.390 -1.353 9.356 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -1.002 -1.186 8.305 1.00 0.00 H new ATOM 0 HG2 ARG A 106 0.905 -0.127 7.269 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -0.264 1.106 7.696 1.00 0.00 H new ATOM 0 HD2 ARG A 106 1.011 1.767 9.643 1.00 0.00 H new ATOM 0 HD3 ARG A 106 2.069 0.377 9.501 1.00 0.00 H new ATOM 0 HE ARG A 106 2.416 1.679 7.081 1.00 0.00 H new ATOM 0 HH11 ARG A 106 2.538 2.824 10.429 1.00 0.00 H new ATOM 0 HH12 ARG A 106 3.833 3.979 10.098 1.00 0.00 H new ATOM 0 HH21 ARG A 106 4.134 3.101 6.720 1.00 0.00 H new ATOM 0 HH22 ARG A 106 4.720 4.131 8.029 1.00 0.00 H new ATOM 1575 N VAL A 107 -2.690 1.772 10.194 1.00 0.00 N ATOM 1576 CA VAL A 107 -3.914 2.475 9.898 1.00 0.00 C ATOM 1577 C VAL A 107 -3.653 3.570 8.878 1.00 0.00 C ATOM 1578 O VAL A 107 -2.612 4.236 8.925 1.00 0.00 O ATOM 1579 CB VAL A 107 -4.519 3.104 11.186 1.00 0.00 C ATOM 1580 CG1 VAL A 107 -5.883 3.710 10.919 1.00 0.00 C ATOM 1581 CG2 VAL A 107 -4.605 2.083 12.307 1.00 0.00 C ATOM 0 H VAL A 107 -2.097 2.235 10.883 1.00 0.00 H new ATOM 0 HA VAL A 107 -4.625 1.757 9.491 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.849 3.904 11.500 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -6.277 4.140 11.840 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -5.793 4.490 10.163 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -6.562 2.935 10.562 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -5.032 2.552 13.194 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.238 1.253 11.995 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -3.607 1.711 12.538 1.00 0.00 H new ATOM 1591 N TYR A 108 -4.567 3.715 7.949 1.00 0.00 N ATOM 1592 CA TYR A 108 -4.509 4.734 6.935 1.00 0.00 C ATOM 1593 C TYR A 108 -5.727 5.633 7.042 1.00 0.00 C ATOM 1594 O TYR A 108 -6.877 5.158 6.989 1.00 0.00 O ATOM 1595 CB TYR A 108 -4.428 4.115 5.532 1.00 0.00 C ATOM 1596 CG TYR A 108 -3.130 3.395 5.243 1.00 0.00 C ATOM 1597 CD1 TYR A 108 -2.912 2.094 5.679 1.00 0.00 C ATOM 1598 CD2 TYR A 108 -2.120 4.022 4.530 1.00 0.00 C ATOM 1599 CE1 TYR A 108 -1.726 1.446 5.413 1.00 0.00 C ATOM 1600 CE2 TYR A 108 -0.932 3.378 4.259 1.00 0.00 C ATOM 1601 CZ TYR A 108 -0.740 2.092 4.702 1.00 0.00 C ATOM 1602 OH TYR A 108 0.445 1.447 4.439 1.00 0.00 O ATOM 0 H TYR A 108 -5.388 3.114 7.877 1.00 0.00 H new ATOM 0 HA TYR A 108 -3.608 5.326 7.093 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -5.254 3.414 5.409 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -4.565 4.903 4.792 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -3.684 1.583 6.235 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -2.267 5.033 4.181 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -1.570 0.435 5.761 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -0.156 3.882 3.701 1.00 0.00 H new ATOM 0 HH TYR A 108 1.186 2.085 4.504 1.00 0.00 H new ATOM 1612 N CYS A 109 -5.485 6.903 7.216 1.00 0.00 N ATOM 1613 CA CYS A 109 -6.541 7.883 7.315 1.00 0.00 C ATOM 1614 C CYS A 109 -6.501 8.773 6.072 1.00 0.00 C ATOM 1615 O CYS A 109 -5.436 9.251 5.705 1.00 0.00 O ATOM 1616 CB CYS A 109 -6.367 8.716 8.593 1.00 0.00 C ATOM 1617 SG CYS A 109 -7.714 9.879 8.925 1.00 0.00 S ATOM 0 H CYS A 109 -4.546 7.293 7.294 1.00 0.00 H new ATOM 0 HA CYS A 109 -7.510 7.387 7.370 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -6.272 8.039 9.442 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -5.433 9.273 8.523 1.00 0.00 H new ATOM 0 HG CYS A 109 -7.249 10.909 9.568 1.00 0.00 H new ATOM 1623 N PRO A 110 -7.657 8.988 5.399 1.00 0.00 N ATOM 1624 CA PRO A 110 -7.719 9.758 4.141 1.00 0.00 C ATOM 1625 C PRO A 110 -7.398 11.245 4.302 1.00 0.00 C ATOM 1626 O PRO A 110 -6.957 11.865 3.355 1.00 0.00 O ATOM 1627 CB PRO A 110 -9.159 9.571 3.669 1.00 0.00 C ATOM 1628 CG PRO A 110 -9.927 9.217 4.893 1.00 0.00 C ATOM 1629 CD PRO A 110 -8.982 8.473 5.790 1.00 0.00 C ATOM 0 HA PRO A 110 -6.968 9.402 3.436 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -9.545 10.482 3.211 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -9.229 8.783 2.919 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -10.305 10.113 5.386 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -10.791 8.601 4.644 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -9.193 8.665 6.842 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -9.053 7.395 5.642 1.00 0.00 H new ATOM 1637 N VAL A 111 -7.663 11.782 5.512 1.00 0.00 N ATOM 1638 CA VAL A 111 -7.391 13.191 5.979 1.00 0.00 C ATOM 1639 C VAL A 111 -7.889 14.376 5.095 1.00 0.00 C ATOM 1640 O VAL A 111 -8.396 15.378 5.635 1.00 0.00 O ATOM 1641 CB VAL A 111 -5.930 13.431 6.475 1.00 0.00 C ATOM 1642 CG1 VAL A 111 -5.584 12.458 7.568 1.00 0.00 C ATOM 1643 CG2 VAL A 111 -4.901 13.362 5.358 1.00 0.00 C ATOM 0 H VAL A 111 -8.099 11.224 6.246 1.00 0.00 H new ATOM 0 HA VAL A 111 -8.062 13.222 6.838 1.00 0.00 H new ATOM 0 HB VAL A 111 -5.895 14.448 6.866 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.563 12.637 7.904 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -6.270 12.591 8.404 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -5.668 11.440 7.189 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -3.906 13.537 5.768 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -4.934 12.376 4.894 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -5.124 14.123 4.610 1.00 0.00 H new ATOM 1653 N ARG A 112 -7.733 14.287 3.791 1.00 0.00 N ATOM 1654 CA ARG A 112 -8.145 15.328 2.881 1.00 0.00 C ATOM 1655 C ARG A 112 -8.266 14.786 1.467 1.00 0.00 C ATOM 1656 O ARG A 112 -7.784 13.685 1.159 1.00 0.00 O ATOM 1657 CB ARG A 112 -7.156 16.505 2.900 1.00 0.00 C ATOM 1658 CG ARG A 112 -5.743 16.172 2.477 1.00 0.00 C ATOM 1659 CD ARG A 112 -4.879 17.413 2.492 1.00 0.00 C ATOM 1660 NE ARG A 112 -3.452 17.129 2.264 1.00 0.00 N ATOM 1661 CZ ARG A 112 -2.512 18.082 2.136 1.00 0.00 C ATOM 1662 NH1 ARG A 112 -2.869 19.358 2.102 1.00 0.00 N ATOM 1663 NH2 ARG A 112 -1.222 17.756 2.036 1.00 0.00 N ATOM 0 H ARG A 112 -7.312 13.480 3.331 1.00 0.00 H new ATOM 0 HA ARG A 112 -9.120 15.687 3.211 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -7.538 17.289 2.246 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -7.128 16.917 3.909 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -5.324 15.422 3.147 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -5.749 15.738 1.477 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -5.232 18.103 1.726 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -4.994 17.916 3.452 1.00 0.00 H new ATOM 0 HE ARG A 112 -3.160 16.154 2.200 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -3.854 19.614 2.173 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -2.159 20.084 2.005 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -0.941 16.776 2.056 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -0.517 18.487 1.939 1.00 0.00 H new ATOM 1677 N THR A 113 -8.914 15.545 0.627 1.00 0.00 N ATOM 1678 CA THR A 113 -9.052 15.221 -0.768 1.00 0.00 C ATOM 1679 C THR A 113 -7.713 15.523 -1.470 1.00 0.00 C ATOM 1680 O THR A 113 -7.061 16.527 -1.142 1.00 0.00 O ATOM 1681 CB THR A 113 -10.149 16.121 -1.368 1.00 0.00 C ATOM 1682 OG1 THR A 113 -11.287 16.127 -0.481 1.00 0.00 O ATOM 1683 CG2 THR A 113 -10.584 15.623 -2.741 1.00 0.00 C ATOM 0 H THR A 113 -9.368 16.418 0.895 1.00 0.00 H new ATOM 0 HA THR A 113 -9.315 14.171 -0.898 1.00 0.00 H new ATOM 0 HB THR A 113 -9.747 17.128 -1.483 1.00 0.00 H new ATOM 0 HG1 THR A 113 -11.990 16.699 -0.854 1.00 0.00 H new ATOM 0 HG21 THR A 113 -11.359 16.279 -3.137 1.00 0.00 H new ATOM 0 HG22 THR A 113 -9.728 15.623 -3.416 1.00 0.00 H new ATOM 0 HG23 THR A 113 -10.977 14.610 -2.653 1.00 0.00 H new ATOM 1691 N CYS A 114 -7.295 14.669 -2.384 1.00 0.00 N ATOM 1692 CA CYS A 114 -6.071 14.898 -3.115 1.00 0.00 C ATOM 1693 C CYS A 114 -6.089 14.169 -4.446 1.00 0.00 C ATOM 1694 O CYS A 114 -6.364 12.974 -4.519 1.00 0.00 O ATOM 1695 CB CYS A 114 -4.837 14.494 -2.304 1.00 0.00 C ATOM 1696 SG CYS A 114 -3.253 14.916 -3.083 1.00 0.00 S ATOM 0 H CYS A 114 -7.787 13.812 -2.636 1.00 0.00 H new ATOM 0 HA CYS A 114 -6.008 15.970 -3.304 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -4.887 14.975 -1.327 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -4.867 13.418 -2.132 1.00 0.00 H new ATOM 0 HG CYS A 114 -2.276 14.534 -2.315 1.00 0.00 H new ATOM 1702 N GLN A 115 -5.817 14.895 -5.474 1.00 0.00 N ATOM 1703 CA GLN A 115 -5.740 14.370 -6.809 1.00 0.00 C ATOM 1704 C GLN A 115 -4.398 14.630 -7.394 1.00 0.00 C ATOM 1705 O GLN A 115 -3.632 15.411 -6.851 1.00 0.00 O ATOM 1706 CB GLN A 115 -6.836 14.922 -7.711 1.00 0.00 C ATOM 1707 CG GLN A 115 -8.167 14.198 -7.589 1.00 0.00 C ATOM 1708 CD GLN A 115 -8.106 12.737 -8.060 1.00 0.00 C ATOM 1709 OE1 GLN A 115 -7.072 12.048 -7.958 1.00 0.00 O ATOM 1710 NE2 GLN A 115 -9.187 12.268 -8.608 1.00 0.00 N ATOM 0 H GLN A 115 -5.636 15.897 -5.417 1.00 0.00 H new ATOM 0 HA GLN A 115 -5.894 13.293 -6.742 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -6.986 15.976 -7.478 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -6.500 14.869 -8.747 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -8.494 14.225 -6.550 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -8.918 14.730 -8.173 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -10.019 12.854 -8.678 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -9.204 11.314 -8.968 1.00 0.00 H new ATOM 1719 N GLY A 116 -4.071 13.928 -8.423 1.00 0.00 N ATOM 1720 CA GLY A 116 -2.831 14.158 -9.072 1.00 0.00 C ATOM 1721 C GLY A 116 -2.013 12.922 -9.164 1.00 0.00 C ATOM 1722 O GLY A 116 -2.479 11.823 -8.799 1.00 0.00 O ATOM 0 H GLY A 116 -4.645 13.191 -8.832 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -3.013 14.548 -10.074 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -2.274 14.922 -8.529 1.00 0.00 H new ATOM 1726 N VAL A 117 -0.817 13.090 -9.646 1.00 0.00 N ATOM 1727 CA VAL A 117 0.143 12.035 -9.790 1.00 0.00 C ATOM 1728 C VAL A 117 1.463 12.521 -9.212 1.00 0.00 C ATOM 1729 O VAL A 117 1.853 13.667 -9.450 1.00 0.00 O ATOM 1730 CB VAL A 117 0.327 11.566 -11.283 1.00 0.00 C ATOM 1731 CG1 VAL A 117 -0.930 10.872 -11.794 1.00 0.00 C ATOM 1732 CG2 VAL A 117 0.684 12.735 -12.203 1.00 0.00 C ATOM 0 H VAL A 117 -0.471 13.996 -9.961 1.00 0.00 H new ATOM 0 HA VAL A 117 -0.221 11.160 -9.251 1.00 0.00 H new ATOM 0 HB VAL A 117 1.155 10.857 -11.296 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -0.778 10.558 -12.827 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -1.140 9.999 -11.176 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -1.772 11.562 -11.745 1.00 0.00 H new ATOM 0 HG21 VAL A 117 0.803 12.372 -13.224 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -0.113 13.478 -12.173 1.00 0.00 H new ATOM 0 HG23 VAL A 117 1.617 13.189 -11.869 1.00 0.00 H new ATOM 1742 N PRO A 118 2.127 11.697 -8.383 1.00 0.00 N ATOM 1743 CA PRO A 118 3.393 12.056 -7.732 1.00 0.00 C ATOM 1744 C PRO A 118 4.431 12.639 -8.698 1.00 0.00 C ATOM 1745 O PRO A 118 4.606 12.143 -9.815 1.00 0.00 O ATOM 1746 CB PRO A 118 3.876 10.735 -7.166 1.00 0.00 C ATOM 1747 CG PRO A 118 2.623 10.020 -6.862 1.00 0.00 C ATOM 1748 CD PRO A 118 1.690 10.347 -7.985 1.00 0.00 C ATOM 0 HA PRO A 118 3.251 12.839 -6.987 1.00 0.00 H new ATOM 0 HB2 PRO A 118 4.487 10.189 -7.884 1.00 0.00 H new ATOM 0 HB3 PRO A 118 4.485 10.878 -6.273 1.00 0.00 H new ATOM 0 HG2 PRO A 118 2.792 8.945 -6.793 1.00 0.00 H new ATOM 0 HG3 PRO A 118 2.211 10.340 -5.905 1.00 0.00 H new ATOM 0 HD2 PRO A 118 1.777 9.634 -8.805 1.00 0.00 H new ATOM 0 HD3 PRO A 118 0.649 10.336 -7.663 1.00 0.00 H new ATOM 1756 N PRO A 119 5.128 13.708 -8.282 1.00 0.00 N ATOM 1757 CA PRO A 119 4.970 14.311 -6.963 1.00 0.00 C ATOM 1758 C PRO A 119 3.918 15.433 -6.935 1.00 0.00 C ATOM 1759 O PRO A 119 3.652 16.019 -5.869 1.00 0.00 O ATOM 1760 CB PRO A 119 6.364 14.900 -6.683 1.00 0.00 C ATOM 1761 CG PRO A 119 7.096 14.914 -8.000 1.00 0.00 C ATOM 1762 CD PRO A 119 6.147 14.410 -9.058 1.00 0.00 C ATOM 0 HA PRO A 119 4.626 13.582 -6.229 1.00 0.00 H new ATOM 0 HB2 PRO A 119 6.284 15.907 -6.273 1.00 0.00 H new ATOM 0 HB3 PRO A 119 6.899 14.298 -5.948 1.00 0.00 H new ATOM 0 HG2 PRO A 119 7.434 15.922 -8.239 1.00 0.00 H new ATOM 0 HG3 PRO A 119 7.984 14.283 -7.951 1.00 0.00 H new ATOM 0 HD2 PRO A 119 5.719 15.228 -9.638 1.00 0.00 H new ATOM 0 HD3 PRO A 119 6.646 13.745 -9.763 1.00 0.00 H new ATOM 1770 N ASN A 120 3.284 15.693 -8.076 1.00 0.00 N ATOM 1771 CA ASN A 120 2.367 16.821 -8.188 1.00 0.00 C ATOM 1772 C ASN A 120 1.012 16.460 -7.606 1.00 0.00 C ATOM 1773 O ASN A 120 0.184 15.786 -8.244 1.00 0.00 O ATOM 1774 CB ASN A 120 2.213 17.282 -9.654 1.00 0.00 C ATOM 1775 CG ASN A 120 3.537 17.624 -10.315 1.00 0.00 C ATOM 1776 OD1 ASN A 120 4.042 18.738 -10.185 1.00 0.00 O ATOM 1777 ND2 ASN A 120 4.098 16.689 -11.056 1.00 0.00 N ATOM 0 H ASN A 120 3.388 15.142 -8.928 1.00 0.00 H new ATOM 0 HA ASN A 120 2.789 17.650 -7.620 1.00 0.00 H new ATOM 0 HB2 ASN A 120 1.721 16.495 -10.226 1.00 0.00 H new ATOM 0 HB3 ASN A 120 1.561 18.155 -9.687 1.00 0.00 H new ATOM 0 HD21 ASN A 120 4.975 16.880 -11.541 1.00 0.00 H new ATOM 0 HD22 ASN A 120 3.655 15.774 -11.145 1.00 0.00 H new ATOM 1784 N HIS A 121 0.803 16.907 -6.401 1.00 0.00 N ATOM 1785 CA HIS A 121 -0.396 16.630 -5.650 1.00 0.00 C ATOM 1786 C HIS A 121 -1.319 17.839 -5.578 1.00 0.00 C ATOM 1787 O HIS A 121 -0.878 18.946 -5.264 1.00 0.00 O ATOM 1788 CB HIS A 121 -0.062 16.048 -4.250 1.00 0.00 C ATOM 1789 CG HIS A 121 0.816 16.900 -3.356 1.00 0.00 C ATOM 1790 ND1 HIS A 121 2.199 16.901 -3.425 1.00 0.00 N ATOM 1791 CD2 HIS A 121 0.499 17.733 -2.334 1.00 0.00 C ATOM 1792 CE1 HIS A 121 2.679 17.686 -2.484 1.00 0.00 C ATOM 1793 NE2 HIS A 121 1.672 18.201 -1.814 1.00 0.00 N ATOM 0 H HIS A 121 1.474 17.488 -5.899 1.00 0.00 H new ATOM 0 HA HIS A 121 -0.950 15.861 -6.188 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -0.999 15.858 -3.727 1.00 0.00 H new ATOM 0 HB3 HIS A 121 0.427 15.084 -4.389 1.00 0.00 H new ATOM 0 HD1 HIS A 121 2.757 16.376 -4.098 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -0.496 17.980 -1.994 1.00 0.00 H new ATOM 0 HE1 HIS A 121 3.725 17.875 -2.294 1.00 0.00 H new ATOM 1802 N ILE A 122 -2.571 17.622 -5.868 1.00 0.00 N ATOM 1803 CA ILE A 122 -3.593 18.648 -5.821 1.00 0.00 C ATOM 1804 C ILE A 122 -4.454 18.403 -4.578 1.00 0.00 C ATOM 1805 O ILE A 122 -5.294 17.498 -4.577 1.00 0.00 O ATOM 1806 CB ILE A 122 -4.513 18.571 -7.082 1.00 0.00 C ATOM 1807 CG1 ILE A 122 -3.693 18.654 -8.391 1.00 0.00 C ATOM 1808 CG2 ILE A 122 -5.597 19.647 -7.051 1.00 0.00 C ATOM 1809 CD1 ILE A 122 -2.909 19.941 -8.572 1.00 0.00 C ATOM 0 H ILE A 122 -2.925 16.708 -6.151 1.00 0.00 H new ATOM 0 HA ILE A 122 -3.117 19.628 -5.791 1.00 0.00 H new ATOM 0 HB ILE A 122 -5.006 17.599 -7.059 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -2.998 17.815 -8.421 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -4.372 18.537 -9.236 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -6.218 19.564 -7.943 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -6.216 19.514 -6.164 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -5.131 20.632 -7.024 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -2.367 19.907 -9.517 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -3.596 20.788 -8.578 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -2.201 20.054 -7.751 1.00 0.00 H new ATOM 1821 N PRO A 123 -4.215 19.136 -3.489 1.00 0.00 N ATOM 1822 CA PRO A 123 -4.967 18.972 -2.264 1.00 0.00 C ATOM 1823 C PRO A 123 -6.264 19.776 -2.269 1.00 0.00 C ATOM 1824 O PRO A 123 -6.302 20.922 -2.745 1.00 0.00 O ATOM 1825 CB PRO A 123 -4.022 19.503 -1.175 1.00 0.00 C ATOM 1826 CG PRO A 123 -2.854 20.118 -1.894 1.00 0.00 C ATOM 1827 CD PRO A 123 -3.207 20.185 -3.352 1.00 0.00 C ATOM 0 HA PRO A 123 -5.267 17.935 -2.115 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -4.525 20.240 -0.549 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -3.694 18.697 -0.518 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -2.645 21.114 -1.504 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -1.954 19.521 -1.744 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -3.601 21.163 -3.628 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -2.341 19.999 -3.987 1.00 0.00 H new ATOM 1835 N GLY A 124 -7.308 19.182 -1.754 1.00 0.00 N ATOM 1836 CA GLY A 124 -8.571 19.854 -1.643 1.00 0.00 C ATOM 1837 C GLY A 124 -8.803 20.315 -0.224 1.00 0.00 C ATOM 1838 O GLY A 124 -7.894 20.874 0.411 1.00 0.00 O ATOM 0 H GLY A 124 -7.305 18.225 -1.402 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -8.595 20.710 -2.318 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -9.374 19.184 -1.950 1.00 0.00 H new ATOM 1842 N VAL A 125 -9.977 20.057 0.291 1.00 0.00 N ATOM 1843 CA VAL A 125 -10.318 20.449 1.640 1.00 0.00 C ATOM 1844 C VAL A 125 -9.796 19.416 2.635 1.00 0.00 C ATOM 1845 O VAL A 125 -9.974 18.204 2.443 1.00 0.00 O ATOM 1846 CB VAL A 125 -11.857 20.619 1.808 1.00 0.00 C ATOM 1847 CG1 VAL A 125 -12.216 21.034 3.227 1.00 0.00 C ATOM 1848 CG2 VAL A 125 -12.397 21.635 0.806 1.00 0.00 C ATOM 0 H VAL A 125 -10.723 19.572 -0.208 1.00 0.00 H new ATOM 0 HA VAL A 125 -9.847 21.412 1.839 1.00 0.00 H new ATOM 0 HB VAL A 125 -12.321 19.652 1.612 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -13.297 21.144 3.311 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -11.873 20.272 3.927 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -11.735 21.984 3.461 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -13.474 21.740 0.939 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -11.915 22.599 0.970 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -12.188 21.293 -0.208 1.00 0.00 H new ATOM 1858 N ALA A 126 -9.095 19.891 3.638 1.00 0.00 N ATOM 1859 CA ALA A 126 -8.595 19.053 4.700 1.00 0.00 C ATOM 1860 C ALA A 126 -9.575 19.043 5.849 1.00 0.00 C ATOM 1861 O ALA A 126 -10.201 20.065 6.140 1.00 0.00 O ATOM 1862 CB ALA A 126 -7.224 19.529 5.166 1.00 0.00 C ATOM 0 H ALA A 126 -8.855 20.877 3.740 1.00 0.00 H new ATOM 0 HA ALA A 126 -8.485 18.037 4.322 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -6.867 18.882 5.967 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -6.524 19.493 4.332 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -7.300 20.553 5.533 1.00 0.00 H new ATOM 1868 N TRP A 127 -9.713 17.914 6.503 1.00 0.00 N ATOM 1869 CA TRP A 127 -10.648 17.798 7.609 1.00 0.00 C ATOM 1870 C TRP A 127 -9.902 17.865 8.947 1.00 0.00 C ATOM 1871 O TRP A 127 -10.462 17.597 10.033 1.00 0.00 O ATOM 1872 CB TRP A 127 -11.444 16.497 7.480 1.00 0.00 C ATOM 1873 CG TRP A 127 -12.090 16.333 6.130 1.00 0.00 C ATOM 1874 CD1 TRP A 127 -12.902 17.230 5.497 1.00 0.00 C ATOM 1875 CD2 TRP A 127 -11.992 15.197 5.254 1.00 0.00 C ATOM 1876 NE1 TRP A 127 -13.282 16.738 4.278 1.00 0.00 N ATOM 1877 CE2 TRP A 127 -12.747 15.493 4.105 1.00 0.00 C ATOM 1878 CE3 TRP A 127 -11.332 13.966 5.324 1.00 0.00 C ATOM 1879 CZ2 TRP A 127 -12.865 14.603 3.038 1.00 0.00 C ATOM 1880 CZ3 TRP A 127 -11.451 13.084 4.267 1.00 0.00 C ATOM 1881 CH2 TRP A 127 -12.209 13.408 3.137 1.00 0.00 C ATOM 0 H TRP A 127 -9.193 17.062 6.293 1.00 0.00 H new ATOM 0 HA TRP A 127 -11.349 18.632 7.578 1.00 0.00 H new ATOM 0 HB2 TRP A 127 -10.780 15.652 7.664 1.00 0.00 H new ATOM 0 HB3 TRP A 127 -12.214 16.471 8.251 1.00 0.00 H new ATOM 0 HD1 TRP A 127 -13.200 18.187 5.899 1.00 0.00 H new ATOM 0 HE1 TRP A 127 -13.873 17.225 3.604 1.00 0.00 H new ATOM 0 HE3 TRP A 127 -10.739 13.709 6.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 -13.453 14.849 2.166 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 -10.950 12.128 4.314 1.00 0.00 H new ATOM 0 HH2 TRP A 127 -12.277 12.699 2.325 1.00 0.00 H new ATOM 1892 N GLY A 128 -8.654 18.265 8.864 1.00 0.00 N ATOM 1893 CA GLY A 128 -7.815 18.375 10.012 1.00 0.00 C ATOM 1894 C GLY A 128 -6.627 19.250 9.727 1.00 0.00 C ATOM 1895 O GLY A 128 -6.460 19.737 8.593 1.00 0.00 O ATOM 0 H GLY A 128 -8.199 18.522 7.988 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -8.384 18.788 10.845 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -7.477 17.384 10.317 1.00 0.00 H new ATOM 1899 N VAL A 129 -5.798 19.425 10.713 1.00 0.00 N ATOM 1900 CA VAL A 129 -4.647 20.282 10.625 1.00 0.00 C ATOM 1901 C VAL A 129 -3.388 19.440 10.708 1.00 0.00 C ATOM 1902 O VAL A 129 -3.289 18.532 11.536 1.00 0.00 O ATOM 1903 CB VAL A 129 -4.636 21.328 11.783 1.00 0.00 C ATOM 1904 CG1 VAL A 129 -3.428 22.253 11.686 1.00 0.00 C ATOM 1905 CG2 VAL A 129 -5.924 22.137 11.803 1.00 0.00 C ATOM 0 H VAL A 129 -5.902 18.969 11.619 1.00 0.00 H new ATOM 0 HA VAL A 129 -4.687 20.815 9.675 1.00 0.00 H new ATOM 0 HB VAL A 129 -4.563 20.775 12.719 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -3.451 22.969 12.507 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -2.513 21.664 11.744 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -3.455 22.789 10.737 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -5.888 22.858 12.620 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -6.036 22.666 10.857 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -6.772 21.467 11.947 1.00 0.00 H new ATOM 1915 N PHE A 130 -2.452 19.712 9.856 1.00 0.00 N ATOM 1916 CA PHE A 130 -1.195 19.018 9.885 1.00 0.00 C ATOM 1917 C PHE A 130 -0.273 19.751 10.838 1.00 0.00 C ATOM 1918 O PHE A 130 -0.012 20.946 10.673 1.00 0.00 O ATOM 1919 CB PHE A 130 -0.591 18.916 8.481 1.00 0.00 C ATOM 1920 CG PHE A 130 -1.445 18.143 7.513 1.00 0.00 C ATOM 1921 CD1 PHE A 130 -1.292 16.773 7.378 1.00 0.00 C ATOM 1922 CD2 PHE A 130 -2.405 18.785 6.742 1.00 0.00 C ATOM 1923 CE1 PHE A 130 -2.077 16.057 6.496 1.00 0.00 C ATOM 1924 CE2 PHE A 130 -3.192 18.074 5.860 1.00 0.00 C ATOM 1925 CZ PHE A 130 -3.028 16.709 5.738 1.00 0.00 C ATOM 0 H PHE A 130 -2.532 20.416 9.123 1.00 0.00 H new ATOM 0 HA PHE A 130 -1.340 17.996 10.234 1.00 0.00 H new ATOM 0 HB2 PHE A 130 -0.431 19.921 8.089 1.00 0.00 H new ATOM 0 HB3 PHE A 130 0.388 18.441 8.549 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -0.550 16.258 7.970 1.00 0.00 H new ATOM 0 HD2 PHE A 130 -2.537 19.853 6.834 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -1.947 14.989 6.400 1.00 0.00 H new ATOM 0 HE2 PHE A 130 -3.935 18.585 5.266 1.00 0.00 H new ATOM 0 HZ PHE A 130 -3.644 16.151 5.049 1.00 0.00 H new ATOM 1935 N LYS A 131 0.196 19.063 11.825 1.00 0.00 N ATOM 1936 CA LYS A 131 0.988 19.656 12.855 1.00 0.00 C ATOM 1937 C LYS A 131 2.446 19.403 12.551 1.00 0.00 C ATOM 1938 O LYS A 131 2.973 18.331 12.876 1.00 0.00 O ATOM 1939 CB LYS A 131 0.589 19.093 14.230 1.00 0.00 C ATOM 1940 CG LYS A 131 1.238 19.796 15.425 1.00 0.00 C ATOM 1941 CD LYS A 131 0.793 21.260 15.551 1.00 0.00 C ATOM 1942 CE LYS A 131 -0.711 21.384 15.808 1.00 0.00 C ATOM 1943 NZ LYS A 131 -1.153 22.787 15.954 1.00 0.00 N ATOM 1944 OXT LYS A 131 3.066 20.257 11.920 1.00 0.00 O ATOM 0 H LYS A 131 0.039 18.062 11.942 1.00 0.00 H new ATOM 0 HA LYS A 131 0.816 20.732 12.887 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -0.494 19.158 14.333 1.00 0.00 H new ATOM 0 HB3 LYS A 131 0.850 18.035 14.263 1.00 0.00 H new ATOM 0 HG2 LYS A 131 0.984 19.261 16.340 1.00 0.00 H new ATOM 0 HG3 LYS A 131 2.322 19.756 15.323 1.00 0.00 H new ATOM 0 HD2 LYS A 131 1.340 21.736 16.365 1.00 0.00 H new ATOM 0 HD3 LYS A 131 1.050 21.797 14.638 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -1.255 20.920 14.985 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -0.967 20.831 16.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -2.178 22.812 16.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -0.657 23.226 16.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -0.935 23.312 15.083 1.00 0.00 H new