USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=20 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 114 CYS SG : rot 23:sc= 0.119 USER MOD Set 1.2: A 121 HIS : no HD1:sc= 0 X(o=0.12,f=0.072) USER MOD Set 2.1: A 44 THR OG1 : rot -104:sc= -0.258 USER MOD Set 2.2: A 91 GLN : amide:sc= 1.15 K(o=0.89,f=-0.11) USER MOD Set 3.1: A 42 TYR OH : rot -113:sc=0.000251 USER MOD Set 3.2: A 66 SER OG : rot -93:sc= 1.04 USER MOD Set 4.1: A 38 LYS NZ :NH3+ -167:sc= 1.34 (180deg=0.289) USER MOD Set 4.2: A 46 TYR OH : rot 180:sc= 0.712 USER MOD Single : A 39 LYS NZ :NH3+ 165:sc= 0.394 (180deg=0.211) USER MOD Single : A 40 ASN : amide:sc= -0.496 K(o=-0.5,f=-7.2!) USER MOD Single : A 41 GLN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Single : A 47 LYS NZ :NH3+ -114:sc= 0.414 (180deg=0.013) USER MOD Single : A 50 ASN : amide:sc= -0.0257 X(o=-0.026,f=-0.48) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -2.76! C(o=-2.8!,f=-9.6!) USER MOD Single : A 57 ASN : amide:sc= -0.625 K(o=-0.62,f=-5.2!) USER MOD Single : A 58 GLN :FLIP amide:sc= -0.449 F(o=-1.5,f=-0.45) USER MOD Single : A 62 THR OG1 : rot 180:sc=-0.00553 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.019) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 140:sc= -0.436 USER MOD Single : A 89 CYS SG : rot -140:sc= -0.868 USER MOD Single : A 94 HIS : no HD1:sc= -0.298 X(o=-0.3,f=-0.62) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc=-0.00644 X(o=-0.0064,f=-0.0064) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -0.0168 K(o=-0.017,f=-1.5!) USER MOD Single : A 105 ASN : amide:sc= -0.376 K(o=-0.38,f=-1.7) USER MOD Single : A 108 TYR OH : rot 180:sc= 0.0369 USER MOD Single : A 109 CYS SG : rot 180:sc= -3.26! USER MOD Single : A 113 THR OG1 : rot 180:sc= 0.00292 USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 ASN : amide:sc=-0.00113 X(o=-0.0011,f=0) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 504 N TRP A 37 8.827 9.461 -3.289 1.00 0.00 N ATOM 505 CA TRP A 37 7.698 8.616 -3.591 1.00 0.00 C ATOM 506 C TRP A 37 8.130 7.294 -4.195 1.00 0.00 C ATOM 507 O TRP A 37 8.898 7.245 -5.168 1.00 0.00 O ATOM 508 CB TRP A 37 6.701 9.323 -4.513 1.00 0.00 C ATOM 509 CG TRP A 37 6.058 10.533 -3.901 1.00 0.00 C ATOM 510 CD1 TRP A 37 6.423 11.831 -4.075 1.00 0.00 C ATOM 511 CD2 TRP A 37 4.929 10.554 -3.016 1.00 0.00 C ATOM 512 NE1 TRP A 37 5.591 12.652 -3.358 1.00 0.00 N ATOM 513 CE2 TRP A 37 4.672 11.896 -2.700 1.00 0.00 C ATOM 514 CE3 TRP A 37 4.114 9.570 -2.461 1.00 0.00 C ATOM 515 CZ2 TRP A 37 3.635 12.283 -1.860 1.00 0.00 C ATOM 516 CZ3 TRP A 37 3.085 9.954 -1.625 1.00 0.00 C ATOM 517 CH2 TRP A 37 2.857 11.299 -1.332 1.00 0.00 C ATOM 0 HA TRP A 37 7.200 8.406 -2.645 1.00 0.00 H new ATOM 0 HB2 TRP A 37 7.215 9.620 -5.427 1.00 0.00 H new ATOM 0 HB3 TRP A 37 5.922 8.616 -4.800 1.00 0.00 H new ATOM 0 HD1 TRP A 37 7.247 12.166 -4.688 1.00 0.00 H new ATOM 0 HE1 TRP A 37 5.652 13.670 -3.324 1.00 0.00 H new ATOM 0 HE3 TRP A 37 4.284 8.526 -2.681 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 3.454 13.324 -1.635 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.445 9.200 -1.190 1.00 0.00 H new ATOM 0 HH2 TRP A 37 2.045 11.565 -0.671 1.00 0.00 H new ATOM 528 N LYS A 38 7.653 6.251 -3.604 1.00 0.00 N ATOM 529 CA LYS A 38 7.898 4.907 -4.021 1.00 0.00 C ATOM 530 C LYS A 38 6.527 4.219 -4.091 1.00 0.00 C ATOM 531 O LYS A 38 5.660 4.494 -3.266 1.00 0.00 O ATOM 532 CB LYS A 38 8.893 4.270 -3.005 1.00 0.00 C ATOM 533 CG LYS A 38 9.369 2.841 -3.273 1.00 0.00 C ATOM 534 CD LYS A 38 8.342 1.832 -2.839 1.00 0.00 C ATOM 535 CE LYS A 38 8.813 0.410 -3.013 1.00 0.00 C ATOM 536 NZ LYS A 38 7.828 -0.527 -2.461 1.00 0.00 N ATOM 0 H LYS A 38 7.055 6.312 -2.780 1.00 0.00 H new ATOM 0 HA LYS A 38 8.363 4.815 -5.002 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.773 4.911 -2.951 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.424 4.288 -2.021 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.576 2.718 -4.336 1.00 0.00 H new ATOM 0 HG3 LYS A 38 10.305 2.662 -2.743 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.092 2.002 -1.792 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.428 1.980 -3.413 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.971 0.200 -4.071 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.773 0.275 -2.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.253 -1.473 -2.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.533 -0.204 -1.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.999 -0.569 -3.088 1.00 0.00 H new ATOM 550 N LYS A 39 6.318 3.385 -5.082 1.00 0.00 N ATOM 551 CA LYS A 39 5.007 2.798 -5.322 1.00 0.00 C ATOM 552 C LYS A 39 4.775 1.526 -4.492 1.00 0.00 C ATOM 553 O LYS A 39 5.703 0.765 -4.210 1.00 0.00 O ATOM 554 CB LYS A 39 4.819 2.526 -6.826 1.00 0.00 C ATOM 555 CG LYS A 39 3.401 2.144 -7.240 1.00 0.00 C ATOM 556 CD LYS A 39 3.326 1.848 -8.728 1.00 0.00 C ATOM 557 CE LYS A 39 1.914 1.484 -9.170 1.00 0.00 C ATOM 558 NZ LYS A 39 0.958 2.619 -9.049 1.00 0.00 N ATOM 0 H LYS A 39 7.038 3.092 -5.742 1.00 0.00 H new ATOM 0 HA LYS A 39 4.256 3.518 -4.997 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.116 3.416 -7.381 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.496 1.725 -7.122 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.077 1.270 -6.675 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.716 2.955 -6.992 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.667 2.719 -9.288 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.003 1.029 -8.969 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.939 1.146 -10.206 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.555 0.648 -8.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.095 2.405 -9.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.714 2.762 -8.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.396 3.484 -9.426 1.00 0.00 H new ATOM 572 N ASN A 40 3.539 1.342 -4.100 1.00 0.00 N ATOM 573 CA ASN A 40 3.071 0.205 -3.326 1.00 0.00 C ATOM 574 C ASN A 40 2.192 -0.659 -4.251 1.00 0.00 C ATOM 575 O ASN A 40 1.585 -0.132 -5.195 1.00 0.00 O ATOM 576 CB ASN A 40 2.230 0.739 -2.126 1.00 0.00 C ATOM 577 CG ASN A 40 1.845 -0.292 -1.055 1.00 0.00 C ATOM 578 OD1 ASN A 40 1.665 -1.471 -1.322 1.00 0.00 O ATOM 579 ND2 ASN A 40 1.699 0.158 0.164 1.00 0.00 N ATOM 0 H ASN A 40 2.795 2.005 -4.318 1.00 0.00 H new ATOM 0 HA ASN A 40 3.901 -0.389 -2.943 1.00 0.00 H new ATOM 0 HB2 ASN A 40 2.791 1.540 -1.644 1.00 0.00 H new ATOM 0 HB3 ASN A 40 1.315 1.182 -2.519 1.00 0.00 H new ATOM 0 HD21 ASN A 40 1.430 -0.479 0.914 1.00 0.00 H new ATOM 0 HD22 ASN A 40 1.854 1.146 0.365 1.00 0.00 H new ATOM 586 N GLN A 41 2.107 -1.952 -3.956 1.00 0.00 N ATOM 587 CA GLN A 41 1.327 -2.954 -4.712 1.00 0.00 C ATOM 588 C GLN A 41 -0.158 -2.542 -4.885 1.00 0.00 C ATOM 589 O GLN A 41 -0.825 -2.944 -5.845 1.00 0.00 O ATOM 590 CB GLN A 41 1.400 -4.299 -3.970 1.00 0.00 C ATOM 591 CG GLN A 41 0.624 -5.429 -4.630 1.00 0.00 C ATOM 592 CD GLN A 41 0.589 -6.702 -3.808 1.00 0.00 C ATOM 593 OE1 GLN A 41 1.616 -6.959 -3.043 1.00 0.00 O flip ATOM 594 NE2 GLN A 41 -0.373 -7.462 -3.873 1.00 0.00 N flip ATOM 0 H GLN A 41 2.594 -2.357 -3.156 1.00 0.00 H new ATOM 0 HA GLN A 41 1.759 -3.032 -5.710 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.445 -4.595 -3.884 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.024 -4.161 -2.956 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.398 -5.097 -4.815 1.00 0.00 H new ATOM 0 HG3 GLN A 41 1.069 -5.646 -5.601 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.162 -7.236 -4.479 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.384 -8.320 -3.321 1.00 0.00 H new ATOM 603 N TYR A 42 -0.663 -1.739 -3.966 1.00 0.00 N ATOM 604 CA TYR A 42 -2.061 -1.284 -4.014 1.00 0.00 C ATOM 605 C TYR A 42 -2.267 -0.207 -5.080 1.00 0.00 C ATOM 606 O TYR A 42 -3.395 0.220 -5.354 1.00 0.00 O ATOM 607 CB TYR A 42 -2.495 -0.739 -2.656 1.00 0.00 C ATOM 608 CG TYR A 42 -2.396 -1.736 -1.533 1.00 0.00 C ATOM 609 CD1 TYR A 42 -3.251 -2.820 -1.471 1.00 0.00 C ATOM 610 CD2 TYR A 42 -1.444 -1.596 -0.542 1.00 0.00 C ATOM 611 CE1 TYR A 42 -3.169 -3.730 -0.452 1.00 0.00 C ATOM 612 CE2 TYR A 42 -1.354 -2.504 0.483 1.00 0.00 C ATOM 613 CZ TYR A 42 -2.221 -3.570 0.524 1.00 0.00 C ATOM 614 OH TYR A 42 -2.141 -4.479 1.548 1.00 0.00 O ATOM 0 H TYR A 42 -0.133 -1.382 -3.171 1.00 0.00 H new ATOM 0 HA TYR A 42 -2.672 -2.149 -4.273 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -1.882 0.129 -2.412 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -3.525 -0.391 -2.729 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -3.997 -2.951 -2.241 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -0.761 -0.760 -0.574 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -3.848 -4.569 -0.418 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -0.606 -2.382 1.253 1.00 0.00 H new ATOM 0 HH TYR A 42 -2.392 -4.046 2.390 1.00 0.00 H new ATOM 624 N GLY A 43 -1.175 0.245 -5.648 1.00 0.00 N ATOM 625 CA GLY A 43 -1.210 1.282 -6.642 1.00 0.00 C ATOM 626 C GLY A 43 -0.906 2.608 -6.017 1.00 0.00 C ATOM 627 O GLY A 43 -0.583 3.584 -6.707 1.00 0.00 O ATOM 0 H GLY A 43 -0.239 -0.098 -5.432 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.485 1.067 -7.428 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.192 1.311 -7.114 1.00 0.00 H new ATOM 631 N THR A 44 -0.948 2.606 -4.712 1.00 0.00 N ATOM 632 CA THR A 44 -0.684 3.733 -3.887 1.00 0.00 C ATOM 633 C THR A 44 0.798 4.086 -3.984 1.00 0.00 C ATOM 634 O THR A 44 1.630 3.218 -4.220 1.00 0.00 O ATOM 635 CB THR A 44 -1.005 3.319 -2.439 1.00 0.00 C ATOM 636 OG1 THR A 44 -2.262 2.622 -2.431 1.00 0.00 O ATOM 637 CG2 THR A 44 -1.096 4.518 -1.513 1.00 0.00 C ATOM 0 H THR A 44 -1.180 1.770 -4.177 1.00 0.00 H new ATOM 0 HA THR A 44 -1.281 4.592 -4.194 1.00 0.00 H new ATOM 0 HB THR A 44 -0.198 2.681 -2.078 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.961 3.212 -2.080 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.324 4.180 -0.502 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.145 5.050 -1.512 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.885 5.186 -1.859 1.00 0.00 H new ATOM 645 N TRP A 45 1.108 5.329 -3.870 1.00 0.00 N ATOM 646 CA TRP A 45 2.480 5.758 -3.810 1.00 0.00 C ATOM 647 C TRP A 45 2.706 6.263 -2.421 1.00 0.00 C ATOM 648 O TRP A 45 1.800 6.855 -1.847 1.00 0.00 O ATOM 649 CB TRP A 45 2.754 6.870 -4.813 1.00 0.00 C ATOM 650 CG TRP A 45 2.616 6.477 -6.262 1.00 0.00 C ATOM 651 CD1 TRP A 45 1.458 6.287 -6.958 1.00 0.00 C ATOM 652 CD2 TRP A 45 3.681 6.276 -7.198 1.00 0.00 C ATOM 653 NE1 TRP A 45 1.738 5.952 -8.261 1.00 0.00 N ATOM 654 CE2 TRP A 45 3.094 5.946 -8.435 1.00 0.00 C ATOM 655 CE3 TRP A 45 5.072 6.337 -7.108 1.00 0.00 C ATOM 656 CZ2 TRP A 45 3.851 5.678 -9.572 1.00 0.00 C ATOM 657 CZ3 TRP A 45 5.821 6.075 -8.238 1.00 0.00 C ATOM 658 CH2 TRP A 45 5.211 5.750 -9.453 1.00 0.00 C ATOM 0 H TRP A 45 0.426 6.085 -3.815 1.00 0.00 H new ATOM 0 HA TRP A 45 3.148 4.932 -4.055 1.00 0.00 H new ATOM 0 HB2 TRP A 45 2.072 7.696 -4.611 1.00 0.00 H new ATOM 0 HB3 TRP A 45 3.765 7.244 -4.649 1.00 0.00 H new ATOM 0 HD1 TRP A 45 0.465 6.386 -6.545 1.00 0.00 H new ATOM 0 HE1 TRP A 45 1.047 5.742 -8.981 1.00 0.00 H new ATOM 0 HE3 TRP A 45 5.553 6.584 -6.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 3.382 5.423 -10.511 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 6.899 6.122 -8.182 1.00 0.00 H new ATOM 0 HH2 TRP A 45 5.828 5.551 -10.317 1.00 0.00 H new ATOM 669 N TYR A 46 3.850 6.018 -1.861 1.00 0.00 N ATOM 670 CA TYR A 46 4.117 6.462 -0.519 1.00 0.00 C ATOM 671 C TYR A 46 5.514 6.997 -0.383 1.00 0.00 C ATOM 672 O TYR A 46 6.398 6.683 -1.186 1.00 0.00 O ATOM 673 CB TYR A 46 3.870 5.345 0.515 1.00 0.00 C ATOM 674 CG TYR A 46 4.754 4.122 0.367 1.00 0.00 C ATOM 675 CD1 TYR A 46 4.420 3.119 -0.513 1.00 0.00 C ATOM 676 CD2 TYR A 46 5.916 3.974 1.121 1.00 0.00 C ATOM 677 CE1 TYR A 46 5.210 1.999 -0.653 1.00 0.00 C ATOM 678 CE2 TYR A 46 6.711 2.858 0.989 1.00 0.00 C ATOM 679 CZ TYR A 46 6.351 1.873 0.099 1.00 0.00 C ATOM 680 OH TYR A 46 7.139 0.753 -0.049 1.00 0.00 O ATOM 0 H TYR A 46 4.616 5.514 -2.308 1.00 0.00 H new ATOM 0 HA TYR A 46 3.418 7.272 -0.313 1.00 0.00 H new ATOM 0 HB2 TYR A 46 4.013 5.758 1.514 1.00 0.00 H new ATOM 0 HB3 TYR A 46 2.828 5.031 0.446 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.522 3.211 -1.105 1.00 0.00 H new ATOM 0 HD2 TYR A 46 6.198 4.747 1.820 1.00 0.00 H new ATOM 0 HE1 TYR A 46 4.933 1.224 -1.352 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.610 2.757 1.579 1.00 0.00 H new ATOM 0 HH TYR A 46 7.910 0.814 0.552 1.00 0.00 H new ATOM 690 N LYS A 47 5.690 7.818 0.603 1.00 0.00 N ATOM 691 CA LYS A 47 6.964 8.348 0.959 1.00 0.00 C ATOM 692 C LYS A 47 7.075 8.341 2.475 1.00 0.00 C ATOM 693 O LYS A 47 6.114 8.714 3.167 1.00 0.00 O ATOM 694 CB LYS A 47 7.165 9.792 0.423 1.00 0.00 C ATOM 695 CG LYS A 47 6.156 10.828 0.919 1.00 0.00 C ATOM 696 CD LYS A 47 6.569 12.239 0.525 1.00 0.00 C ATOM 697 CE LYS A 47 5.567 13.277 1.016 1.00 0.00 C ATOM 698 NZ LYS A 47 6.009 14.667 0.752 1.00 0.00 N ATOM 0 H LYS A 47 4.929 8.146 1.198 1.00 0.00 H new ATOM 0 HA LYS A 47 7.739 7.728 0.508 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.166 10.126 0.697 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.125 9.765 -0.666 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.172 10.607 0.506 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.068 10.762 2.003 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.553 12.459 0.939 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.657 12.303 -0.560 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.606 13.107 0.530 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.410 13.147 2.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.190 15.151 1.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.881 14.652 0.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.266 15.174 0.230 1.00 0.00 H new ATOM 712 N PRO A 48 8.184 7.856 3.031 1.00 0.00 N ATOM 713 CA PRO A 48 8.408 7.947 4.464 1.00 0.00 C ATOM 714 C PRO A 48 8.648 9.408 4.831 1.00 0.00 C ATOM 715 O PRO A 48 9.576 10.043 4.305 1.00 0.00 O ATOM 716 CB PRO A 48 9.687 7.124 4.700 1.00 0.00 C ATOM 717 CG PRO A 48 9.915 6.362 3.433 1.00 0.00 C ATOM 718 CD PRO A 48 9.286 7.168 2.338 1.00 0.00 C ATOM 0 HA PRO A 48 7.570 7.585 5.059 1.00 0.00 H new ATOM 0 HB2 PRO A 48 10.534 7.772 4.925 1.00 0.00 H new ATOM 0 HB3 PRO A 48 9.568 6.449 5.547 1.00 0.00 H new ATOM 0 HG2 PRO A 48 10.980 6.222 3.250 1.00 0.00 H new ATOM 0 HG3 PRO A 48 9.468 5.369 3.491 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.991 7.874 1.899 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.922 6.536 1.528 1.00 0.00 H new ATOM 726 N GLU A 49 7.824 9.936 5.698 1.00 0.00 N ATOM 727 CA GLU A 49 7.887 11.320 6.089 1.00 0.00 C ATOM 728 C GLU A 49 7.000 11.505 7.302 1.00 0.00 C ATOM 729 O GLU A 49 5.819 11.140 7.284 1.00 0.00 O ATOM 730 CB GLU A 49 7.442 12.225 4.918 1.00 0.00 C ATOM 731 CG GLU A 49 7.604 13.714 5.162 1.00 0.00 C ATOM 732 CD GLU A 49 7.355 14.524 3.916 1.00 0.00 C ATOM 733 OE1 GLU A 49 8.303 14.700 3.108 1.00 0.00 O ATOM 734 OE2 GLU A 49 6.229 15.000 3.702 1.00 0.00 O ATOM 0 H GLU A 49 7.081 9.410 6.158 1.00 0.00 H new ATOM 0 HA GLU A 49 8.909 11.602 6.343 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.014 11.953 4.031 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.394 12.020 4.698 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.913 14.030 5.943 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.611 13.913 5.528 1.00 0.00 H new ATOM 741 N ASN A 50 7.565 12.028 8.349 1.00 0.00 N ATOM 742 CA ASN A 50 6.851 12.184 9.589 1.00 0.00 C ATOM 743 C ASN A 50 6.232 13.528 9.690 1.00 0.00 C ATOM 744 O ASN A 50 6.844 14.535 9.322 1.00 0.00 O ATOM 745 CB ASN A 50 7.746 11.972 10.815 1.00 0.00 C ATOM 746 CG ASN A 50 8.252 10.565 10.965 1.00 0.00 C ATOM 747 OD1 ASN A 50 9.348 10.225 10.522 1.00 0.00 O ATOM 748 ND2 ASN A 50 7.453 9.728 11.561 1.00 0.00 N ATOM 0 H ASN A 50 8.530 12.359 8.372 1.00 0.00 H new ATOM 0 HA ASN A 50 6.078 11.415 9.581 1.00 0.00 H new ATOM 0 HB2 ASN A 50 8.598 12.649 10.752 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.188 12.244 11.711 1.00 0.00 H new ATOM 0 HD21 ASN A 50 7.728 8.752 11.674 1.00 0.00 H new ATOM 0 HD22 ASN A 50 6.552 10.048 11.915 1.00 0.00 H new ATOM 755 N ALA A 51 5.033 13.547 10.188 1.00 0.00 N ATOM 756 CA ALA A 51 4.292 14.746 10.468 1.00 0.00 C ATOM 757 C ALA A 51 3.162 14.359 11.375 1.00 0.00 C ATOM 758 O ALA A 51 2.834 13.165 11.476 1.00 0.00 O ATOM 759 CB ALA A 51 3.772 15.409 9.196 1.00 0.00 C ATOM 0 H ALA A 51 4.521 12.696 10.421 1.00 0.00 H new ATOM 0 HA ALA A 51 4.940 15.483 10.943 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.218 16.311 9.456 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.612 15.672 8.553 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.114 14.719 8.669 1.00 0.00 H new ATOM 765 N THR A 52 2.604 15.296 12.052 1.00 0.00 N ATOM 766 CA THR A 52 1.538 15.018 12.943 1.00 0.00 C ATOM 767 C THR A 52 0.224 15.489 12.337 1.00 0.00 C ATOM 768 O THR A 52 0.145 16.590 11.805 1.00 0.00 O ATOM 769 CB THR A 52 1.771 15.725 14.280 1.00 0.00 C ATOM 770 OG1 THR A 52 3.121 15.472 14.727 1.00 0.00 O ATOM 771 CG2 THR A 52 0.807 15.205 15.322 1.00 0.00 C ATOM 0 H THR A 52 2.874 16.278 12.004 1.00 0.00 H new ATOM 0 HA THR A 52 1.492 13.942 13.113 1.00 0.00 H new ATOM 0 HB THR A 52 1.613 16.795 14.144 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.273 15.925 15.582 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.984 15.716 16.268 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.216 15.390 14.995 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.958 14.134 15.455 1.00 0.00 H new ATOM 779 N PHE A 53 -0.765 14.651 12.379 1.00 0.00 N ATOM 780 CA PHE A 53 -2.064 15.009 11.923 1.00 0.00 C ATOM 781 C PHE A 53 -2.977 15.163 13.109 1.00 0.00 C ATOM 782 O PHE A 53 -3.135 14.237 13.919 1.00 0.00 O ATOM 783 CB PHE A 53 -2.632 13.971 10.947 1.00 0.00 C ATOM 784 CG PHE A 53 -4.035 14.288 10.490 1.00 0.00 C ATOM 785 CD1 PHE A 53 -4.267 15.319 9.595 1.00 0.00 C ATOM 786 CD2 PHE A 53 -5.119 13.558 10.964 1.00 0.00 C ATOM 787 CE1 PHE A 53 -5.548 15.616 9.179 1.00 0.00 C ATOM 788 CE2 PHE A 53 -6.404 13.852 10.551 1.00 0.00 C ATOM 789 CZ PHE A 53 -6.619 14.882 9.657 1.00 0.00 C ATOM 0 H PHE A 53 -0.690 13.697 12.732 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.991 15.953 11.383 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.980 13.906 10.076 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.625 12.991 11.425 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.436 15.897 9.219 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.955 12.752 11.663 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.715 16.422 8.480 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -7.238 13.278 10.926 1.00 0.00 H new ATOM 0 HZ PHE A 53 -7.622 15.114 9.331 1.00 0.00 H new ATOM 799 N VAL A 54 -3.525 16.321 13.244 1.00 0.00 N ATOM 800 CA VAL A 54 -4.467 16.599 14.282 1.00 0.00 C ATOM 801 C VAL A 54 -5.833 16.697 13.638 1.00 0.00 C ATOM 802 O VAL A 54 -6.029 17.523 12.749 1.00 0.00 O ATOM 803 CB VAL A 54 -4.153 17.945 15.000 1.00 0.00 C ATOM 804 CG1 VAL A 54 -5.102 18.176 16.171 1.00 0.00 C ATOM 805 CG2 VAL A 54 -2.705 18.001 15.465 1.00 0.00 C ATOM 0 H VAL A 54 -3.332 17.113 12.632 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.422 15.806 15.028 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.304 18.745 14.275 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.860 19.123 16.654 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.129 18.206 15.807 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.996 17.364 16.891 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.519 18.953 15.962 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.515 17.185 16.162 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.043 17.905 14.605 1.00 0.00 H new ATOM 815 N ASN A 55 -6.754 15.842 14.031 1.00 0.00 N ATOM 816 CA ASN A 55 -8.112 15.912 13.500 1.00 0.00 C ATOM 817 C ASN A 55 -8.745 17.168 14.040 1.00 0.00 C ATOM 818 O ASN A 55 -8.819 17.355 15.260 1.00 0.00 O ATOM 819 CB ASN A 55 -8.962 14.681 13.904 1.00 0.00 C ATOM 820 CG ASN A 55 -10.390 14.686 13.296 1.00 0.00 C ATOM 821 OD1 ASN A 55 -10.992 15.734 13.027 1.00 0.00 O ATOM 822 ND2 ASN A 55 -10.956 13.530 13.127 1.00 0.00 N ATOM 0 H ASN A 55 -6.597 15.096 14.708 1.00 0.00 H new ATOM 0 HA ASN A 55 -8.069 15.922 12.411 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -8.445 13.774 13.590 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -9.039 14.644 14.991 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -11.909 13.476 12.768 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -10.447 12.675 13.353 1.00 0.00 H new ATOM 829 N GLY A 56 -9.196 18.007 13.165 1.00 0.00 N ATOM 830 CA GLY A 56 -9.747 19.243 13.584 1.00 0.00 C ATOM 831 C GLY A 56 -10.896 19.648 12.746 1.00 0.00 C ATOM 832 O GLY A 56 -11.016 20.809 12.386 1.00 0.00 O ATOM 0 H GLY A 56 -9.191 17.854 12.157 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.066 19.164 14.623 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.979 20.015 13.544 1.00 0.00 H new ATOM 836 N ASN A 57 -11.724 18.700 12.382 1.00 0.00 N ATOM 837 CA ASN A 57 -12.900 19.021 11.601 1.00 0.00 C ATOM 838 C ASN A 57 -14.043 18.113 11.988 1.00 0.00 C ATOM 839 O ASN A 57 -15.001 18.559 12.598 1.00 0.00 O ATOM 840 CB ASN A 57 -12.623 18.932 10.094 1.00 0.00 C ATOM 841 CG ASN A 57 -13.761 19.470 9.238 1.00 0.00 C ATOM 842 OD1 ASN A 57 -14.677 18.750 8.873 1.00 0.00 O ATOM 843 ND2 ASN A 57 -13.691 20.734 8.891 1.00 0.00 N ATOM 0 H ASN A 57 -11.611 17.712 12.608 1.00 0.00 H new ATOM 0 HA ASN A 57 -13.176 20.053 11.819 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -11.713 19.487 9.866 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -12.438 17.892 9.827 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -14.415 21.141 8.300 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -12.912 21.309 9.213 1.00 0.00 H new ATOM 850 N GLN A 58 -13.912 16.835 11.696 1.00 0.00 N ATOM 851 CA GLN A 58 -14.956 15.876 11.995 1.00 0.00 C ATOM 852 C GLN A 58 -14.357 14.469 12.083 1.00 0.00 C ATOM 853 O GLN A 58 -13.233 14.272 11.623 1.00 0.00 O ATOM 854 CB GLN A 58 -16.154 16.010 10.985 1.00 0.00 C ATOM 855 CG GLN A 58 -15.860 15.879 9.477 1.00 0.00 C ATOM 856 CD GLN A 58 -15.600 14.466 9.003 1.00 0.00 C ATOM 857 OE1 GLN A 58 -14.368 14.079 8.940 1.00 0.00 O flip ATOM 858 NE2 GLN A 58 -16.524 13.738 8.647 1.00 0.00 N flip ATOM 0 H GLN A 58 -13.087 16.435 11.249 1.00 0.00 H new ATOM 0 HA GLN A 58 -15.388 16.088 12.973 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -16.894 15.254 11.246 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -16.620 16.982 11.149 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -16.704 16.285 8.920 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -14.993 16.494 9.235 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -17.487 14.069 8.708 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -16.328 12.802 8.291 1.00 0.00 H new ATOM 867 N PRO A 59 -15.055 13.492 12.715 1.00 0.00 N ATOM 868 CA PRO A 59 -14.554 12.114 12.859 1.00 0.00 C ATOM 869 C PRO A 59 -14.214 11.478 11.513 1.00 0.00 C ATOM 870 O PRO A 59 -14.979 11.578 10.548 1.00 0.00 O ATOM 871 CB PRO A 59 -15.720 11.370 13.512 1.00 0.00 C ATOM 872 CG PRO A 59 -16.513 12.429 14.184 1.00 0.00 C ATOM 873 CD PRO A 59 -16.385 13.646 13.334 1.00 0.00 C ATOM 0 HA PRO A 59 -13.631 12.080 13.438 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -16.316 10.839 12.770 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -15.365 10.627 14.227 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -17.557 12.131 14.282 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -16.139 12.616 15.191 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -17.174 13.697 12.584 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -16.449 14.559 13.927 1.00 0.00 H new ATOM 881 N ILE A 60 -13.113 10.782 11.467 1.00 0.00 N ATOM 882 CA ILE A 60 -12.627 10.225 10.226 1.00 0.00 C ATOM 883 C ILE A 60 -12.838 8.719 10.214 1.00 0.00 C ATOM 884 O ILE A 60 -12.692 8.047 11.256 1.00 0.00 O ATOM 885 CB ILE A 60 -11.095 10.482 10.065 1.00 0.00 C ATOM 886 CG1 ILE A 60 -10.736 11.961 10.231 1.00 0.00 C ATOM 887 CG2 ILE A 60 -10.594 9.974 8.728 1.00 0.00 C ATOM 888 CD1 ILE A 60 -11.303 12.867 9.169 1.00 0.00 C ATOM 0 H ILE A 60 -12.528 10.583 12.279 1.00 0.00 H new ATOM 0 HA ILE A 60 -13.176 10.703 9.414 1.00 0.00 H new ATOM 0 HB ILE A 60 -10.600 9.928 10.863 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -11.089 12.300 11.205 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -9.650 12.060 10.233 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -9.524 10.166 8.643 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -10.777 8.902 8.654 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -11.120 10.488 7.923 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -10.998 13.895 9.367 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -10.931 12.560 8.192 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -12.391 12.803 9.179 1.00 0.00 H new ATOM 900 N VAL A 61 -13.223 8.197 9.069 1.00 0.00 N ATOM 901 CA VAL A 61 -13.308 6.777 8.889 1.00 0.00 C ATOM 902 C VAL A 61 -12.005 6.307 8.255 1.00 0.00 C ATOM 903 O VAL A 61 -11.697 6.606 7.084 1.00 0.00 O ATOM 904 CB VAL A 61 -14.586 6.320 8.076 1.00 0.00 C ATOM 905 CG1 VAL A 61 -14.696 6.983 6.709 1.00 0.00 C ATOM 906 CG2 VAL A 61 -14.634 4.803 7.937 1.00 0.00 C ATOM 0 H VAL A 61 -13.482 8.745 8.249 1.00 0.00 H new ATOM 0 HA VAL A 61 -13.437 6.302 9.862 1.00 0.00 H new ATOM 0 HB VAL A 61 -15.447 6.652 8.656 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -15.593 6.627 6.203 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -14.754 8.064 6.833 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -13.819 6.733 6.112 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -15.523 4.517 7.374 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -13.744 4.458 7.411 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -14.670 4.348 8.927 1.00 0.00 H new ATOM 916 N THR A 62 -11.220 5.645 9.042 1.00 0.00 N ATOM 917 CA THR A 62 -9.931 5.212 8.616 1.00 0.00 C ATOM 918 C THR A 62 -10.001 3.797 8.078 1.00 0.00 C ATOM 919 O THR A 62 -10.895 3.026 8.448 1.00 0.00 O ATOM 920 CB THR A 62 -8.901 5.324 9.764 1.00 0.00 C ATOM 921 OG1 THR A 62 -9.343 4.584 10.900 1.00 0.00 O ATOM 922 CG2 THR A 62 -8.699 6.774 10.174 1.00 0.00 C ATOM 0 H THR A 62 -11.456 5.389 10.001 1.00 0.00 H new ATOM 0 HA THR A 62 -9.597 5.866 7.811 1.00 0.00 H new ATOM 0 HB THR A 62 -7.957 4.918 9.401 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.681 4.662 11.619 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.970 6.825 10.983 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.335 7.346 9.321 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.647 7.192 10.513 1.00 0.00 H new ATOM 930 N ARG A 63 -9.095 3.468 7.204 1.00 0.00 N ATOM 931 CA ARG A 63 -9.080 2.176 6.574 1.00 0.00 C ATOM 932 C ARG A 63 -7.953 1.360 7.153 1.00 0.00 C ATOM 933 O ARG A 63 -6.867 1.890 7.413 1.00 0.00 O ATOM 934 CB ARG A 63 -8.908 2.335 5.070 1.00 0.00 C ATOM 935 CG ARG A 63 -9.969 3.220 4.424 1.00 0.00 C ATOM 936 CD ARG A 63 -11.372 2.655 4.567 1.00 0.00 C ATOM 937 NE ARG A 63 -12.373 3.606 4.076 1.00 0.00 N ATOM 938 CZ ARG A 63 -13.659 3.336 3.830 1.00 0.00 C ATOM 939 NH1 ARG A 63 -14.086 2.076 3.751 1.00 0.00 N ATOM 940 NH2 ARG A 63 -14.499 4.337 3.612 1.00 0.00 N ATOM 0 H ARG A 63 -8.343 4.089 6.906 1.00 0.00 H new ATOM 0 HA ARG A 63 -10.024 1.663 6.758 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.923 2.756 4.868 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -8.935 1.350 4.604 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.933 4.211 4.876 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.738 3.344 3.366 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.450 1.720 4.012 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -11.569 2.422 5.613 1.00 0.00 H new ATOM 0 HE ARG A 63 -12.060 4.562 3.906 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -13.429 1.306 3.879 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -15.069 1.882 3.563 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -14.162 5.299 3.633 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -15.483 4.145 3.423 1.00 0.00 H new ATOM 954 N ILE A 64 -8.196 0.097 7.366 1.00 0.00 N ATOM 955 CA ILE A 64 -7.219 -0.756 8.003 1.00 0.00 C ATOM 956 C ILE A 64 -6.545 -1.695 6.996 1.00 0.00 C ATOM 957 O ILE A 64 -7.213 -2.416 6.242 1.00 0.00 O ATOM 958 CB ILE A 64 -7.816 -1.609 9.197 1.00 0.00 C ATOM 959 CG1 ILE A 64 -8.384 -0.730 10.342 1.00 0.00 C ATOM 960 CG2 ILE A 64 -6.774 -2.567 9.766 1.00 0.00 C ATOM 961 CD1 ILE A 64 -9.701 -0.042 10.043 1.00 0.00 C ATOM 0 H ILE A 64 -9.065 -0.371 7.108 1.00 0.00 H new ATOM 0 HA ILE A 64 -6.476 -0.077 8.420 1.00 0.00 H new ATOM 0 HB ILE A 64 -8.643 -2.178 8.771 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -8.512 -1.354 11.226 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.645 0.031 10.593 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.213 -3.138 10.584 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -6.442 -3.249 8.984 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -5.922 -1.998 10.138 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -10.009 0.546 10.908 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -9.581 0.615 9.182 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -10.462 -0.792 9.824 1.00 0.00 H new ATOM 973 N GLY A 65 -5.230 -1.643 6.965 1.00 0.00 N ATOM 974 CA GLY A 65 -4.427 -2.568 6.194 1.00 0.00 C ATOM 975 C GLY A 65 -4.196 -2.183 4.746 1.00 0.00 C ATOM 976 O GLY A 65 -3.230 -2.639 4.132 1.00 0.00 O ATOM 0 H GLY A 65 -4.684 -0.951 7.479 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.458 -2.675 6.682 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.907 -3.547 6.219 1.00 0.00 H new ATOM 980 N SER A 66 -5.046 -1.368 4.183 1.00 0.00 N ATOM 981 CA SER A 66 -4.906 -0.994 2.793 1.00 0.00 C ATOM 982 C SER A 66 -5.522 0.376 2.548 1.00 0.00 C ATOM 983 O SER A 66 -6.570 0.679 3.106 1.00 0.00 O ATOM 984 CB SER A 66 -5.600 -2.048 1.900 1.00 0.00 C ATOM 985 OG SER A 66 -5.062 -3.349 2.135 1.00 0.00 O ATOM 0 H SER A 66 -5.844 -0.948 4.661 1.00 0.00 H new ATOM 0 HA SER A 66 -3.846 -0.949 2.545 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.671 -2.052 2.101 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.473 -1.782 0.851 1.00 0.00 H new ATOM 0 HG SER A 66 -4.341 -3.526 1.495 1.00 0.00 H new ATOM 991 N PRO A 67 -4.857 1.253 1.784 1.00 0.00 N ATOM 992 CA PRO A 67 -5.443 2.510 1.401 1.00 0.00 C ATOM 993 C PRO A 67 -6.213 2.378 0.073 1.00 0.00 C ATOM 994 O PRO A 67 -5.635 2.061 -0.966 1.00 0.00 O ATOM 995 CB PRO A 67 -4.228 3.431 1.241 1.00 0.00 C ATOM 996 CG PRO A 67 -3.054 2.522 0.974 1.00 0.00 C ATOM 997 CD PRO A 67 -3.490 1.102 1.264 1.00 0.00 C ATOM 0 HA PRO A 67 -6.168 2.881 2.126 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -4.374 4.132 0.419 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -4.066 4.024 2.141 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -2.726 2.617 -0.061 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -2.207 2.797 1.603 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.470 0.486 0.365 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -2.836 0.624 1.993 1.00 0.00 H new ATOM 1005 N PHE A 68 -7.491 2.657 0.140 1.00 0.00 N ATOM 1006 CA PHE A 68 -8.465 2.607 -0.954 1.00 0.00 C ATOM 1007 C PHE A 68 -9.696 3.263 -0.412 1.00 0.00 C ATOM 1008 O PHE A 68 -9.745 3.570 0.780 1.00 0.00 O ATOM 1009 CB PHE A 68 -8.896 1.161 -1.362 1.00 0.00 C ATOM 1010 CG PHE A 68 -7.869 0.277 -1.988 1.00 0.00 C ATOM 1011 CD1 PHE A 68 -7.436 0.509 -3.278 1.00 0.00 C ATOM 1012 CD2 PHE A 68 -7.355 -0.800 -1.292 1.00 0.00 C ATOM 1013 CE1 PHE A 68 -6.501 -0.313 -3.862 1.00 0.00 C ATOM 1014 CE2 PHE A 68 -6.426 -1.627 -1.872 1.00 0.00 C ATOM 1015 CZ PHE A 68 -5.998 -1.382 -3.160 1.00 0.00 C ATOM 0 H PHE A 68 -7.922 2.947 1.018 1.00 0.00 H new ATOM 0 HA PHE A 68 -8.017 3.075 -1.830 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -9.270 0.659 -0.470 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -9.733 1.244 -2.055 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.835 1.344 -3.834 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.687 -0.993 -0.283 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.163 -0.119 -4.869 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.031 -2.468 -1.321 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.266 -2.031 -3.618 1.00 0.00 H new ATOM 1025 N LEU A 69 -10.691 3.434 -1.235 1.00 0.00 N ATOM 1026 CA LEU A 69 -11.975 3.914 -0.768 1.00 0.00 C ATOM 1027 C LEU A 69 -12.800 2.713 -0.355 1.00 0.00 C ATOM 1028 O LEU A 69 -13.614 2.782 0.548 1.00 0.00 O ATOM 1029 CB LEU A 69 -12.738 4.712 -1.848 1.00 0.00 C ATOM 1030 CG LEU A 69 -12.132 6.041 -2.340 1.00 0.00 C ATOM 1031 CD1 LEU A 69 -11.813 6.959 -1.183 1.00 0.00 C ATOM 1032 CD2 LEU A 69 -10.920 5.832 -3.245 1.00 0.00 C ATOM 0 H LEU A 69 -10.645 3.250 -2.237 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.805 4.592 0.068 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.863 4.063 -2.715 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.735 4.924 -1.462 1.00 0.00 H new ATOM 0 HG LEU A 69 -12.892 6.527 -2.952 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.387 7.888 -1.562 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.726 7.178 -0.630 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.095 6.474 -0.521 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.532 6.800 -3.563 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.146 5.293 -2.698 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.215 5.254 -4.121 1.00 0.00 H new ATOM 1044 N ASN A 70 -12.534 1.599 -1.016 1.00 0.00 N ATOM 1045 CA ASN A 70 -13.218 0.325 -0.765 1.00 0.00 C ATOM 1046 C ASN A 70 -12.452 -0.508 0.254 1.00 0.00 C ATOM 1047 O ASN A 70 -12.646 -1.716 0.349 1.00 0.00 O ATOM 1048 CB ASN A 70 -13.335 -0.490 -2.068 1.00 0.00 C ATOM 1049 CG ASN A 70 -14.268 0.107 -3.100 1.00 0.00 C ATOM 1050 OD1 ASN A 70 -13.864 0.906 -3.943 1.00 0.00 O ATOM 1051 ND2 ASN A 70 -15.501 -0.287 -3.063 1.00 0.00 N ATOM 0 H ASN A 70 -11.830 1.545 -1.752 1.00 0.00 H new ATOM 0 HA ASN A 70 -14.211 0.556 -0.379 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -12.343 -0.591 -2.509 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.679 -1.495 -1.823 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -16.170 0.067 -3.747 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -15.803 -0.951 -2.350 1.00 0.00 H new ATOM 1058 N ALA A 71 -11.612 0.132 1.028 1.00 0.00 N ATOM 1059 CA ALA A 71 -10.777 -0.565 1.993 1.00 0.00 C ATOM 1060 C ALA A 71 -11.576 -0.889 3.274 1.00 0.00 C ATOM 1061 O ALA A 71 -12.624 -0.265 3.520 1.00 0.00 O ATOM 1062 CB ALA A 71 -9.561 0.278 2.298 1.00 0.00 C ATOM 0 H ALA A 71 -11.483 1.144 1.013 1.00 0.00 H new ATOM 0 HA ALA A 71 -10.448 -1.515 1.571 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.931 -0.240 3.021 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.997 0.448 1.381 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.877 1.236 2.712 1.00 0.00 H new ATOM 1068 N PRO A 72 -11.119 -1.878 4.085 1.00 0.00 N ATOM 1069 CA PRO A 72 -11.818 -2.311 5.315 1.00 0.00 C ATOM 1070 C PRO A 72 -12.049 -1.186 6.329 1.00 0.00 C ATOM 1071 O PRO A 72 -11.208 -0.289 6.496 1.00 0.00 O ATOM 1072 CB PRO A 72 -10.883 -3.372 5.908 1.00 0.00 C ATOM 1073 CG PRO A 72 -10.109 -3.873 4.748 1.00 0.00 C ATOM 1074 CD PRO A 72 -9.893 -2.683 3.868 1.00 0.00 C ATOM 0 HA PRO A 72 -12.820 -2.671 5.081 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -10.228 -2.945 6.667 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.445 -4.174 6.387 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -9.159 -4.303 5.066 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -10.654 -4.657 4.222 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -8.995 -2.133 4.147 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -9.779 -2.970 2.823 1.00 0.00 H new ATOM 1082 N VAL A 73 -13.183 -1.262 6.989 1.00 0.00 N ATOM 1083 CA VAL A 73 -13.616 -0.303 7.994 1.00 0.00 C ATOM 1084 C VAL A 73 -13.392 -0.861 9.394 1.00 0.00 C ATOM 1085 O VAL A 73 -12.981 -2.030 9.552 1.00 0.00 O ATOM 1086 CB VAL A 73 -15.110 0.105 7.835 1.00 0.00 C ATOM 1087 CG1 VAL A 73 -15.331 0.834 6.531 1.00 0.00 C ATOM 1088 CG2 VAL A 73 -16.028 -1.107 7.921 1.00 0.00 C ATOM 0 H VAL A 73 -13.854 -2.015 6.840 1.00 0.00 H new ATOM 0 HA VAL A 73 -13.012 0.592 7.846 1.00 0.00 H new ATOM 0 HB VAL A 73 -15.356 0.776 8.658 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -16.382 1.109 6.442 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -14.717 1.734 6.509 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -15.054 0.185 5.700 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -17.064 -0.788 7.806 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -15.776 -1.812 7.129 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -15.903 -1.590 8.890 1.00 0.00 H new ATOM 1098 N GLY A 74 -13.641 -0.043 10.381 1.00 0.00 N ATOM 1099 CA GLY A 74 -13.456 -0.437 11.753 1.00 0.00 C ATOM 1100 C GLY A 74 -12.432 0.424 12.438 1.00 0.00 C ATOM 1101 O GLY A 74 -11.790 0.007 13.401 1.00 0.00 O ATOM 0 H GLY A 74 -13.977 0.912 10.258 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -14.405 -0.368 12.284 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -13.143 -1.480 11.794 1.00 0.00 H new ATOM 1105 N GLY A 75 -12.292 1.634 11.959 1.00 0.00 N ATOM 1106 CA GLY A 75 -11.355 2.546 12.521 1.00 0.00 C ATOM 1107 C GLY A 75 -11.910 3.941 12.544 1.00 0.00 C ATOM 1108 O GLY A 75 -12.090 4.569 11.488 1.00 0.00 O ATOM 0 H GLY A 75 -12.826 2.004 11.172 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.102 2.235 13.534 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.432 2.527 11.942 1.00 0.00 H new ATOM 1112 N ASN A 76 -12.210 4.419 13.713 1.00 0.00 N ATOM 1113 CA ASN A 76 -12.728 5.754 13.891 1.00 0.00 C ATOM 1114 C ASN A 76 -11.681 6.636 14.517 1.00 0.00 C ATOM 1115 O ASN A 76 -11.087 6.285 15.546 1.00 0.00 O ATOM 1116 CB ASN A 76 -13.996 5.741 14.761 1.00 0.00 C ATOM 1117 CG ASN A 76 -14.532 7.141 15.095 1.00 0.00 C ATOM 1118 OD1 ASN A 76 -14.187 7.733 16.114 1.00 0.00 O ATOM 1119 ND2 ASN A 76 -15.357 7.681 14.234 1.00 0.00 N ATOM 0 H ASN A 76 -12.104 3.895 14.581 1.00 0.00 H new ATOM 0 HA ASN A 76 -12.991 6.151 12.911 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -14.774 5.178 14.245 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -13.783 5.212 15.690 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -15.730 8.616 14.402 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -15.627 7.167 13.395 1.00 0.00 H new ATOM 1126 N LEU A 77 -11.410 7.734 13.880 1.00 0.00 N ATOM 1127 CA LEU A 77 -10.507 8.705 14.419 1.00 0.00 C ATOM 1128 C LEU A 77 -11.346 9.892 14.871 1.00 0.00 C ATOM 1129 O LEU A 77 -11.925 10.600 14.024 1.00 0.00 O ATOM 1130 CB LEU A 77 -9.493 9.147 13.360 1.00 0.00 C ATOM 1131 CG LEU A 77 -8.347 10.038 13.851 1.00 0.00 C ATOM 1132 CD1 LEU A 77 -7.454 9.280 14.824 1.00 0.00 C ATOM 1133 CD2 LEU A 77 -7.537 10.562 12.677 1.00 0.00 C ATOM 0 H LEU A 77 -11.807 7.982 12.974 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.945 8.283 15.252 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.063 8.255 12.904 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -10.029 9.680 12.574 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.778 10.890 14.377 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.647 9.931 15.160 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.043 8.959 15.683 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.032 8.407 14.326 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.728 11.193 13.046 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.119 9.723 12.120 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.183 11.146 12.022 1.00 0.00 H new ATOM 1145 N PRO A 78 -11.476 10.102 16.186 1.00 0.00 N ATOM 1146 CA PRO A 78 -12.295 11.176 16.721 1.00 0.00 C ATOM 1147 C PRO A 78 -11.676 12.544 16.482 1.00 0.00 C ATOM 1148 O PRO A 78 -10.467 12.665 16.224 1.00 0.00 O ATOM 1149 CB PRO A 78 -12.390 10.899 18.228 1.00 0.00 C ATOM 1150 CG PRO A 78 -11.492 9.736 18.522 1.00 0.00 C ATOM 1151 CD PRO A 78 -10.814 9.321 17.244 1.00 0.00 C ATOM 0 HA PRO A 78 -13.269 11.197 16.232 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -12.085 11.775 18.800 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -13.417 10.674 18.514 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -10.750 10.010 19.272 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -12.068 8.906 18.932 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -9.745 9.531 17.279 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -10.923 8.250 17.070 1.00 0.00 H new ATOM 1159 N ALA A 79 -12.494 13.564 16.550 1.00 0.00 N ATOM 1160 CA ALA A 79 -12.028 14.917 16.388 1.00 0.00 C ATOM 1161 C ALA A 79 -11.208 15.316 17.604 1.00 0.00 C ATOM 1162 O ALA A 79 -11.602 15.044 18.747 1.00 0.00 O ATOM 1163 CB ALA A 79 -13.198 15.867 16.179 1.00 0.00 C ATOM 0 H ALA A 79 -13.497 13.480 16.718 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.396 14.977 15.502 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.824 16.884 16.059 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.749 15.575 15.285 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -13.861 15.824 17.043 1.00 0.00 H new ATOM 1169 N GLY A 80 -10.065 15.911 17.365 1.00 0.00 N ATOM 1170 CA GLY A 80 -9.194 16.305 18.441 1.00 0.00 C ATOM 1171 C GLY A 80 -8.033 15.354 18.605 1.00 0.00 C ATOM 1172 O GLY A 80 -7.087 15.636 19.350 1.00 0.00 O ATOM 0 H GLY A 80 -9.717 16.133 16.432 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.816 17.310 18.252 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.762 16.348 19.370 1.00 0.00 H new ATOM 1176 N ALA A 81 -8.101 14.230 17.919 1.00 0.00 N ATOM 1177 CA ALA A 81 -7.051 13.235 17.982 1.00 0.00 C ATOM 1178 C ALA A 81 -5.793 13.736 17.286 1.00 0.00 C ATOM 1179 O ALA A 81 -5.863 14.371 16.229 1.00 0.00 O ATOM 1180 CB ALA A 81 -7.513 11.925 17.373 1.00 0.00 C ATOM 0 H ALA A 81 -8.879 13.983 17.307 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.814 13.058 19.031 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.708 11.193 17.431 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.380 11.555 17.920 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.783 12.084 16.329 1.00 0.00 H new ATOM 1186 N THR A 82 -4.670 13.478 17.892 1.00 0.00 N ATOM 1187 CA THR A 82 -3.388 13.892 17.385 1.00 0.00 C ATOM 1188 C THR A 82 -2.535 12.650 17.090 1.00 0.00 C ATOM 1189 O THR A 82 -2.138 11.933 18.014 1.00 0.00 O ATOM 1190 CB THR A 82 -2.714 14.787 18.443 1.00 0.00 C ATOM 1191 OG1 THR A 82 -3.569 15.908 18.712 1.00 0.00 O ATOM 1192 CG2 THR A 82 -1.350 15.278 18.002 1.00 0.00 C ATOM 0 H THR A 82 -4.616 12.963 18.771 1.00 0.00 H new ATOM 0 HA THR A 82 -3.500 14.456 16.459 1.00 0.00 H new ATOM 0 HB THR A 82 -2.563 14.190 19.342 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.151 16.484 19.386 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.919 15.904 18.783 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.697 14.424 17.820 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.451 15.860 17.086 1.00 0.00 H new ATOM 1200 N ILE A 83 -2.299 12.379 15.824 1.00 0.00 N ATOM 1201 CA ILE A 83 -1.568 11.191 15.415 1.00 0.00 C ATOM 1202 C ILE A 83 -0.319 11.574 14.622 1.00 0.00 C ATOM 1203 O ILE A 83 -0.409 12.231 13.587 1.00 0.00 O ATOM 1204 CB ILE A 83 -2.459 10.250 14.536 1.00 0.00 C ATOM 1205 CG1 ILE A 83 -3.724 9.794 15.297 1.00 0.00 C ATOM 1206 CG2 ILE A 83 -1.667 9.040 14.034 1.00 0.00 C ATOM 1207 CD1 ILE A 83 -3.454 8.988 16.562 1.00 0.00 C ATOM 0 H ILE A 83 -2.605 12.970 15.051 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.279 10.661 16.322 1.00 0.00 H new ATOM 0 HB ILE A 83 -2.779 10.829 13.669 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.308 10.675 15.562 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.338 9.194 14.625 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.315 8.407 13.427 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.825 9.381 13.432 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.296 8.469 14.885 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.401 8.713 17.027 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -2.899 8.085 16.307 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.869 9.589 17.258 1.00 0.00 H new ATOM 1219 N VAL A 84 0.828 11.183 15.113 1.00 0.00 N ATOM 1220 CA VAL A 84 2.063 11.413 14.402 1.00 0.00 C ATOM 1221 C VAL A 84 2.372 10.204 13.515 1.00 0.00 C ATOM 1222 O VAL A 84 2.656 9.099 13.998 1.00 0.00 O ATOM 1223 CB VAL A 84 3.251 11.793 15.353 1.00 0.00 C ATOM 1224 CG1 VAL A 84 3.478 10.752 16.442 1.00 0.00 C ATOM 1225 CG2 VAL A 84 4.535 12.047 14.563 1.00 0.00 C ATOM 0 H VAL A 84 0.935 10.702 16.006 1.00 0.00 H new ATOM 0 HA VAL A 84 1.935 12.285 13.761 1.00 0.00 H new ATOM 0 HB VAL A 84 2.968 12.720 15.851 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.311 11.062 17.073 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.578 10.658 17.049 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.708 9.790 15.984 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.340 12.308 15.250 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.807 11.147 14.011 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.375 12.867 13.863 1.00 0.00 H new ATOM 1235 N TYR A 85 2.286 10.408 12.231 1.00 0.00 N ATOM 1236 CA TYR A 85 2.441 9.336 11.283 1.00 0.00 C ATOM 1237 C TYR A 85 3.855 9.292 10.741 1.00 0.00 C ATOM 1238 O TYR A 85 4.644 10.235 10.953 1.00 0.00 O ATOM 1239 CB TYR A 85 1.404 9.444 10.148 1.00 0.00 C ATOM 1240 CG TYR A 85 1.448 10.739 9.357 1.00 0.00 C ATOM 1241 CD1 TYR A 85 2.317 10.889 8.289 1.00 0.00 C ATOM 1242 CD2 TYR A 85 0.602 11.800 9.664 1.00 0.00 C ATOM 1243 CE1 TYR A 85 2.347 12.047 7.554 1.00 0.00 C ATOM 1244 CE2 TYR A 85 0.632 12.972 8.929 1.00 0.00 C ATOM 1245 CZ TYR A 85 1.505 13.083 7.872 1.00 0.00 C ATOM 1246 OH TYR A 85 1.525 14.231 7.113 1.00 0.00 O ATOM 0 H TYR A 85 2.107 11.320 11.810 1.00 0.00 H new ATOM 0 HA TYR A 85 2.258 8.396 11.804 1.00 0.00 H new ATOM 0 HB2 TYR A 85 1.553 8.611 9.461 1.00 0.00 H new ATOM 0 HB3 TYR A 85 0.408 9.331 10.575 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.983 10.079 8.030 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -0.089 11.707 10.489 1.00 0.00 H new ATOM 0 HE1 TYR A 85 3.033 12.143 6.725 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -0.024 13.792 9.183 1.00 0.00 H new ATOM 0 HH TYR A 85 0.609 14.554 6.985 1.00 0.00 H new ATOM 1256 N ASP A 86 4.167 8.216 10.050 1.00 0.00 N ATOM 1257 CA ASP A 86 5.510 7.998 9.521 1.00 0.00 C ATOM 1258 C ASP A 86 5.526 7.927 8.013 1.00 0.00 C ATOM 1259 O ASP A 86 6.579 8.073 7.392 1.00 0.00 O ATOM 1260 CB ASP A 86 6.114 6.689 10.068 1.00 0.00 C ATOM 1261 CG ASP A 86 6.417 6.708 11.546 1.00 0.00 C ATOM 1262 OD1 ASP A 86 5.525 6.391 12.368 1.00 0.00 O ATOM 1263 OD2 ASP A 86 7.564 7.027 11.921 1.00 0.00 O ATOM 0 H ASP A 86 3.507 7.468 9.837 1.00 0.00 H new ATOM 0 HA ASP A 86 6.103 8.854 9.844 1.00 0.00 H new ATOM 0 HB2 ASP A 86 5.423 5.871 9.862 1.00 0.00 H new ATOM 0 HB3 ASP A 86 7.034 6.473 9.524 1.00 0.00 H new ATOM 1268 N GLU A 87 4.387 7.709 7.407 1.00 0.00 N ATOM 1269 CA GLU A 87 4.362 7.489 5.992 1.00 0.00 C ATOM 1270 C GLU A 87 3.228 8.281 5.336 1.00 0.00 C ATOM 1271 O GLU A 87 2.106 8.322 5.847 1.00 0.00 O ATOM 1272 CB GLU A 87 4.219 5.981 5.755 1.00 0.00 C ATOM 1273 CG GLU A 87 4.429 5.513 4.336 1.00 0.00 C ATOM 1274 CD GLU A 87 4.391 4.011 4.252 1.00 0.00 C ATOM 1275 OE1 GLU A 87 5.376 3.356 4.635 1.00 0.00 O ATOM 1276 OE2 GLU A 87 3.383 3.450 3.820 1.00 0.00 O ATOM 0 H GLU A 87 3.478 7.680 7.868 1.00 0.00 H new ATOM 0 HA GLU A 87 5.286 7.843 5.534 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.932 5.463 6.397 1.00 0.00 H new ATOM 0 HB3 GLU A 87 3.222 5.676 6.074 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.658 5.936 3.692 1.00 0.00 H new ATOM 0 HG3 GLU A 87 5.388 5.877 3.967 1.00 0.00 H new ATOM 1283 N VAL A 88 3.544 8.939 4.249 1.00 0.00 N ATOM 1284 CA VAL A 88 2.580 9.706 3.476 1.00 0.00 C ATOM 1285 C VAL A 88 2.275 8.914 2.218 1.00 0.00 C ATOM 1286 O VAL A 88 3.193 8.517 1.520 1.00 0.00 O ATOM 1287 CB VAL A 88 3.163 11.090 3.063 1.00 0.00 C ATOM 1288 CG1 VAL A 88 2.143 11.904 2.291 1.00 0.00 C ATOM 1289 CG2 VAL A 88 3.632 11.870 4.270 1.00 0.00 C ATOM 0 H VAL A 88 4.489 8.962 3.865 1.00 0.00 H new ATOM 0 HA VAL A 88 1.687 9.878 4.077 1.00 0.00 H new ATOM 0 HB VAL A 88 4.020 10.899 2.418 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.577 12.865 2.016 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.854 11.365 1.389 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.263 12.068 2.913 1.00 0.00 H new ATOM 0 HG21 VAL A 88 4.033 12.831 3.949 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.792 12.035 4.945 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.409 11.307 4.788 1.00 0.00 H new ATOM 1299 N CYS A 89 1.026 8.669 1.944 1.00 0.00 N ATOM 1300 CA CYS A 89 0.634 7.863 0.809 1.00 0.00 C ATOM 1301 C CYS A 89 -0.394 8.604 -0.062 1.00 0.00 C ATOM 1302 O CYS A 89 -1.161 9.399 0.432 1.00 0.00 O ATOM 1303 CB CYS A 89 -0.004 6.574 1.331 1.00 0.00 C ATOM 1304 SG CYS A 89 0.981 5.690 2.555 1.00 0.00 S ATOM 0 H CYS A 89 0.245 9.020 2.498 1.00 0.00 H new ATOM 0 HA CYS A 89 1.515 7.650 0.204 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -0.972 6.815 1.769 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -0.192 5.910 0.487 1.00 0.00 H new ATOM 0 HG CYS A 89 0.901 4.411 2.335 1.00 0.00 H new ATOM 1310 N ILE A 90 -0.378 8.361 -1.353 1.00 0.00 N ATOM 1311 CA ILE A 90 -1.399 8.890 -2.247 1.00 0.00 C ATOM 1312 C ILE A 90 -2.142 7.746 -2.922 1.00 0.00 C ATOM 1313 O ILE A 90 -1.536 6.898 -3.593 1.00 0.00 O ATOM 1314 CB ILE A 90 -0.869 9.895 -3.351 1.00 0.00 C ATOM 1315 CG1 ILE A 90 -0.391 11.218 -2.724 1.00 0.00 C ATOM 1316 CG2 ILE A 90 -1.951 10.176 -4.417 1.00 0.00 C ATOM 1317 CD1 ILE A 90 0.052 12.273 -3.743 1.00 0.00 C ATOM 0 H ILE A 90 0.334 7.797 -1.816 1.00 0.00 H new ATOM 0 HA ILE A 90 -2.063 9.473 -1.608 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.018 9.418 -3.837 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.197 11.631 -2.117 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.440 11.008 -2.051 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.558 10.869 -5.161 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.233 9.243 -4.904 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.827 10.615 -3.939 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.373 13.173 -3.219 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.880 11.882 -4.334 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.782 12.515 -4.402 1.00 0.00 H new ATOM 1329 N GLN A 91 -3.426 7.713 -2.692 1.00 0.00 N ATOM 1330 CA GLN A 91 -4.340 6.812 -3.342 1.00 0.00 C ATOM 1331 C GLN A 91 -5.347 7.737 -3.991 1.00 0.00 C ATOM 1332 O GLN A 91 -6.050 8.460 -3.272 1.00 0.00 O ATOM 1333 CB GLN A 91 -5.000 5.866 -2.301 1.00 0.00 C ATOM 1334 CG GLN A 91 -6.032 4.886 -2.856 1.00 0.00 C ATOM 1335 CD GLN A 91 -5.451 3.958 -3.915 1.00 0.00 C ATOM 1336 OE1 GLN A 91 -5.446 4.280 -5.087 1.00 0.00 O ATOM 1337 NE2 GLN A 91 -4.998 2.804 -3.516 1.00 0.00 N ATOM 0 H GLN A 91 -3.881 8.334 -2.023 1.00 0.00 H new ATOM 0 HA GLN A 91 -3.863 6.153 -4.068 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -4.214 5.296 -1.806 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -5.480 6.476 -1.536 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -6.437 4.289 -2.039 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -6.864 5.445 -3.285 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -5.016 2.564 -2.525 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -4.625 2.140 -4.195 1.00 0.00 H new ATOM 1346 N ALA A 92 -5.445 7.687 -5.318 1.00 0.00 N ATOM 1347 CA ALA A 92 -6.135 8.718 -6.119 1.00 0.00 C ATOM 1348 C ALA A 92 -7.518 9.080 -5.592 1.00 0.00 C ATOM 1349 O ALA A 92 -8.475 8.302 -5.675 1.00 0.00 O ATOM 1350 CB ALA A 92 -6.216 8.289 -7.578 1.00 0.00 C ATOM 0 H ALA A 92 -5.050 6.931 -5.878 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.533 9.623 -6.034 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -6.727 9.059 -8.156 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.210 8.148 -7.972 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -6.769 7.353 -7.652 1.00 0.00 H new ATOM 1356 N GLY A 93 -7.589 10.267 -5.013 1.00 0.00 N ATOM 1357 CA GLY A 93 -8.805 10.773 -4.443 1.00 0.00 C ATOM 1358 C GLY A 93 -8.532 11.435 -3.119 1.00 0.00 C ATOM 1359 O GLY A 93 -9.182 12.405 -2.742 1.00 0.00 O ATOM 0 H GLY A 93 -6.795 10.902 -4.930 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.263 11.488 -5.126 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.517 9.959 -4.309 1.00 0.00 H new ATOM 1363 N HIS A 94 -7.538 10.939 -2.422 1.00 0.00 N ATOM 1364 CA HIS A 94 -7.152 11.459 -1.119 1.00 0.00 C ATOM 1365 C HIS A 94 -5.701 11.228 -0.921 1.00 0.00 C ATOM 1366 O HIS A 94 -5.082 10.433 -1.632 1.00 0.00 O ATOM 1367 CB HIS A 94 -7.874 10.741 0.041 1.00 0.00 C ATOM 1368 CG HIS A 94 -9.344 10.905 0.090 1.00 0.00 C ATOM 1369 ND1 HIS A 94 -10.210 9.980 -0.429 1.00 0.00 N ATOM 1370 CD2 HIS A 94 -10.109 11.878 0.618 1.00 0.00 C ATOM 1371 CE1 HIS A 94 -11.443 10.375 -0.224 1.00 0.00 C ATOM 1372 NE2 HIS A 94 -11.412 11.521 0.409 1.00 0.00 N ATOM 0 H HIS A 94 -6.966 10.157 -2.740 1.00 0.00 H new ATOM 0 HA HIS A 94 -7.417 12.516 -1.108 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -7.649 9.676 -0.021 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -7.456 11.101 0.981 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -9.760 12.772 1.113 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -12.334 9.845 -0.526 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -12.228 12.060 0.699 1.00 0.00 H new ATOM 1381 N ILE A 95 -5.163 11.901 0.016 1.00 0.00 N ATOM 1382 CA ILE A 95 -3.849 11.622 0.441 1.00 0.00 C ATOM 1383 C ILE A 95 -4.023 10.880 1.748 1.00 0.00 C ATOM 1384 O ILE A 95 -4.861 11.242 2.552 1.00 0.00 O ATOM 1385 CB ILE A 95 -2.977 12.909 0.572 1.00 0.00 C ATOM 1386 CG1 ILE A 95 -1.542 12.565 0.974 1.00 0.00 C ATOM 1387 CG2 ILE A 95 -3.589 13.907 1.541 1.00 0.00 C ATOM 1388 CD1 ILE A 95 -0.612 13.753 0.979 1.00 0.00 C ATOM 0 H ILE A 95 -5.621 12.665 0.514 1.00 0.00 H new ATOM 0 HA ILE A 95 -3.300 11.023 -0.285 1.00 0.00 H new ATOM 0 HB ILE A 95 -2.949 13.382 -0.410 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -1.550 12.117 1.968 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -1.152 11.813 0.288 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -2.952 14.789 1.605 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -4.578 14.198 1.187 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -3.676 13.450 2.527 1.00 0.00 H new ATOM 0 HD11 ILE A 95 0.387 13.432 1.274 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.573 14.189 -0.019 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -0.977 14.498 1.686 1.00 0.00 H new ATOM 1400 N TRP A 96 -3.331 9.828 1.915 1.00 0.00 N ATOM 1401 CA TRP A 96 -3.535 8.982 3.046 1.00 0.00 C ATOM 1402 C TRP A 96 -2.318 8.978 3.901 1.00 0.00 C ATOM 1403 O TRP A 96 -1.200 9.015 3.404 1.00 0.00 O ATOM 1404 CB TRP A 96 -3.874 7.550 2.592 1.00 0.00 C ATOM 1405 CG TRP A 96 -5.148 7.446 1.797 1.00 0.00 C ATOM 1406 CD1 TRP A 96 -5.325 7.779 0.490 1.00 0.00 C ATOM 1407 CD2 TRP A 96 -6.414 6.964 2.256 1.00 0.00 C ATOM 1408 NE1 TRP A 96 -6.623 7.548 0.113 1.00 0.00 N ATOM 1409 CE2 TRP A 96 -7.308 7.047 1.176 1.00 0.00 C ATOM 1410 CE3 TRP A 96 -6.877 6.477 3.472 1.00 0.00 C ATOM 1411 CZ2 TRP A 96 -8.632 6.662 1.279 1.00 0.00 C ATOM 1412 CZ3 TRP A 96 -8.192 6.093 3.573 1.00 0.00 C ATOM 1413 CH2 TRP A 96 -9.057 6.186 2.482 1.00 0.00 C ATOM 0 H TRP A 96 -2.600 9.515 1.276 1.00 0.00 H new ATOM 0 HA TRP A 96 -4.374 9.367 3.626 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -3.050 7.166 1.991 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -3.953 6.910 3.471 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -4.554 8.169 -0.158 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -7.012 7.723 -0.814 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -6.215 6.402 4.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -9.304 6.736 0.437 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -8.563 5.712 4.513 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -10.085 5.874 2.594 1.00 0.00 H new ATOM 1424 N ILE A 97 -2.513 8.995 5.168 1.00 0.00 N ATOM 1425 CA ILE A 97 -1.408 8.892 6.059 1.00 0.00 C ATOM 1426 C ILE A 97 -1.322 7.476 6.580 1.00 0.00 C ATOM 1427 O ILE A 97 -2.335 6.888 7.000 1.00 0.00 O ATOM 1428 CB ILE A 97 -1.455 9.918 7.218 1.00 0.00 C ATOM 1429 CG1 ILE A 97 -2.703 9.723 8.087 1.00 0.00 C ATOM 1430 CG2 ILE A 97 -1.429 11.328 6.635 1.00 0.00 C ATOM 1431 CD1 ILE A 97 -2.732 10.563 9.348 1.00 0.00 C ATOM 0 H ILE A 97 -3.426 9.079 5.616 1.00 0.00 H new ATOM 0 HA ILE A 97 -0.506 9.135 5.497 1.00 0.00 H new ATOM 0 HB ILE A 97 -0.585 9.766 7.857 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -3.585 9.956 7.490 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.775 8.672 8.365 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -1.462 12.057 7.445 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -0.514 11.467 6.059 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -2.292 11.469 5.985 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -3.650 10.360 9.899 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -1.872 10.315 9.970 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -2.695 11.619 9.082 1.00 0.00 H new ATOM 1443 N GLY A 98 -0.155 6.918 6.496 1.00 0.00 N ATOM 1444 CA GLY A 98 0.059 5.585 6.933 1.00 0.00 C ATOM 1445 C GLY A 98 0.709 5.570 8.271 1.00 0.00 C ATOM 1446 O GLY A 98 1.798 6.143 8.452 1.00 0.00 O ATOM 0 H GLY A 98 0.674 7.379 6.121 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.892 5.055 6.979 1.00 0.00 H new ATOM 0 HA3 GLY A 98 0.684 5.057 6.213 1.00 0.00 H new ATOM 1450 N TYR A 99 0.051 4.973 9.217 1.00 0.00 N ATOM 1451 CA TYR A 99 0.577 4.874 10.540 1.00 0.00 C ATOM 1452 C TYR A 99 0.220 3.539 11.137 1.00 0.00 C ATOM 1453 O TYR A 99 -0.834 2.975 10.836 1.00 0.00 O ATOM 1454 CB TYR A 99 0.082 6.037 11.436 1.00 0.00 C ATOM 1455 CG TYR A 99 -1.434 6.142 11.597 1.00 0.00 C ATOM 1456 CD1 TYR A 99 -2.212 6.801 10.652 1.00 0.00 C ATOM 1457 CD2 TYR A 99 -2.077 5.602 12.710 1.00 0.00 C ATOM 1458 CE1 TYR A 99 -3.580 6.915 10.804 1.00 0.00 C ATOM 1459 CE2 TYR A 99 -3.445 5.710 12.866 1.00 0.00 C ATOM 1460 CZ TYR A 99 -4.191 6.368 11.911 1.00 0.00 C ATOM 1461 OH TYR A 99 -5.554 6.486 12.070 1.00 0.00 O ATOM 0 H TYR A 99 -0.865 4.542 9.092 1.00 0.00 H new ATOM 0 HA TYR A 99 1.663 4.952 10.484 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.528 5.927 12.424 1.00 0.00 H new ATOM 0 HB3 TYR A 99 0.452 6.975 11.022 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -1.738 7.232 9.783 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -1.496 5.091 13.463 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -4.168 7.430 10.059 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -3.928 5.281 13.732 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.826 6.045 12.902 1.00 0.00 H new ATOM 1471 N ASN A 100 1.102 3.010 11.907 1.00 0.00 N ATOM 1472 CA ASN A 100 0.839 1.787 12.611 1.00 0.00 C ATOM 1473 C ASN A 100 0.517 2.121 14.043 1.00 0.00 C ATOM 1474 O ASN A 100 1.256 2.861 14.707 1.00 0.00 O ATOM 1475 CB ASN A 100 1.993 0.754 12.477 1.00 0.00 C ATOM 1476 CG ASN A 100 3.360 1.250 12.936 1.00 0.00 C ATOM 1477 OD1 ASN A 100 4.107 1.842 12.162 1.00 0.00 O ATOM 1478 ND2 ASN A 100 3.727 0.974 14.150 1.00 0.00 N ATOM 0 H ASN A 100 2.028 3.405 12.073 1.00 0.00 H new ATOM 0 HA ASN A 100 -0.021 1.293 12.158 1.00 0.00 H new ATOM 0 HB2 ASN A 100 1.734 -0.134 13.053 1.00 0.00 H new ATOM 0 HB3 ASN A 100 2.066 0.447 11.434 1.00 0.00 H new ATOM 0 HD21 ASN A 100 4.653 1.250 14.478 1.00 0.00 H new ATOM 0 HD22 ASN A 100 3.090 0.481 14.776 1.00 0.00 H new ATOM 1485 N ALA A 101 -0.602 1.646 14.497 1.00 0.00 N ATOM 1486 CA ALA A 101 -1.064 1.948 15.821 1.00 0.00 C ATOM 1487 C ALA A 101 -0.619 0.877 16.786 1.00 0.00 C ATOM 1488 O ALA A 101 -0.225 -0.206 16.374 1.00 0.00 O ATOM 1489 CB ALA A 101 -2.578 2.091 15.836 1.00 0.00 C ATOM 0 H ALA A 101 -1.222 1.038 13.962 1.00 0.00 H new ATOM 0 HA ALA A 101 -0.629 2.897 16.135 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.912 2.320 16.848 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.874 2.897 15.165 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.035 1.158 15.506 1.00 0.00 H new ATOM 1495 N TYR A 102 -0.762 1.157 18.072 1.00 0.00 N ATOM 1496 CA TYR A 102 -0.355 0.257 19.168 1.00 0.00 C ATOM 1497 C TYR A 102 -1.122 -1.081 19.194 1.00 0.00 C ATOM 1498 O TYR A 102 -0.876 -1.942 20.046 1.00 0.00 O ATOM 1499 CB TYR A 102 -0.425 0.977 20.530 1.00 0.00 C ATOM 1500 CG TYR A 102 -1.758 1.640 20.857 1.00 0.00 C ATOM 1501 CD1 TYR A 102 -2.053 2.916 20.385 1.00 0.00 C ATOM 1502 CD2 TYR A 102 -2.703 1.005 21.655 1.00 0.00 C ATOM 1503 CE1 TYR A 102 -3.244 3.537 20.693 1.00 0.00 C ATOM 1504 CE2 TYR A 102 -3.904 1.620 21.962 1.00 0.00 C ATOM 1505 CZ TYR A 102 -4.166 2.888 21.479 1.00 0.00 C ATOM 1506 OH TYR A 102 -5.352 3.516 21.801 1.00 0.00 O ATOM 0 H TYR A 102 -1.171 2.031 18.402 1.00 0.00 H new ATOM 0 HA TYR A 102 0.683 -0.009 18.969 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -0.197 0.255 21.314 1.00 0.00 H new ATOM 0 HB3 TYR A 102 0.355 1.737 20.559 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -1.334 3.430 19.765 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -2.497 0.018 22.041 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -3.452 4.529 20.319 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -4.633 1.112 22.576 1.00 0.00 H new ATOM 0 HH TYR A 102 -5.895 2.923 22.362 1.00 0.00 H new ATOM 1516 N ASN A 103 -2.056 -1.235 18.285 1.00 0.00 N ATOM 1517 CA ASN A 103 -2.794 -2.475 18.132 1.00 0.00 C ATOM 1518 C ASN A 103 -2.048 -3.401 17.185 1.00 0.00 C ATOM 1519 O ASN A 103 -2.439 -4.551 16.989 1.00 0.00 O ATOM 1520 CB ASN A 103 -4.210 -2.229 17.589 1.00 0.00 C ATOM 1521 CG ASN A 103 -5.131 -1.499 18.550 1.00 0.00 C ATOM 1522 OD1 ASN A 103 -4.698 -0.692 19.379 1.00 0.00 O ATOM 1523 ND2 ASN A 103 -6.399 -1.762 18.442 1.00 0.00 N ATOM 0 H ASN A 103 -2.329 -0.505 17.627 1.00 0.00 H new ATOM 0 HA ASN A 103 -2.882 -2.934 19.117 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -4.137 -1.653 16.666 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -4.659 -3.188 17.332 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -7.070 -1.296 19.053 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -6.723 -2.434 17.746 1.00 0.00 H new ATOM 1530 N GLY A 104 -0.985 -2.887 16.583 1.00 0.00 N ATOM 1531 CA GLY A 104 -0.184 -3.664 15.661 1.00 0.00 C ATOM 1532 C GLY A 104 -0.671 -3.524 14.240 1.00 0.00 C ATOM 1533 O GLY A 104 -0.102 -4.105 13.313 1.00 0.00 O ATOM 0 H GLY A 104 -0.660 -1.930 16.721 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.856 -3.342 15.722 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.210 -4.714 15.952 1.00 0.00 H new ATOM 1537 N ASN A 105 -1.714 -2.756 14.061 1.00 0.00 N ATOM 1538 CA ASN A 105 -2.319 -2.587 12.758 1.00 0.00 C ATOM 1539 C ASN A 105 -1.839 -1.343 12.029 1.00 0.00 C ATOM 1540 O ASN A 105 -1.497 -0.324 12.642 1.00 0.00 O ATOM 1541 CB ASN A 105 -3.863 -2.624 12.818 1.00 0.00 C ATOM 1542 CG ASN A 105 -4.497 -1.705 13.873 1.00 0.00 C ATOM 1543 OD1 ASN A 105 -3.931 -0.703 14.292 1.00 0.00 O ATOM 1544 ND2 ASN A 105 -5.691 -2.046 14.288 1.00 0.00 N ATOM 0 H ASN A 105 -2.169 -2.231 14.808 1.00 0.00 H new ATOM 0 HA ASN A 105 -1.984 -3.445 12.176 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -4.256 -2.352 11.838 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -4.179 -3.649 13.014 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -6.174 -1.471 14.978 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -6.138 -2.886 13.921 1.00 0.00 H new ATOM 1551 N ARG A 106 -1.788 -1.457 10.720 1.00 0.00 N ATOM 1552 CA ARG A 106 -1.458 -0.365 9.835 1.00 0.00 C ATOM 1553 C ARG A 106 -2.768 0.312 9.420 1.00 0.00 C ATOM 1554 O ARG A 106 -3.588 -0.277 8.710 1.00 0.00 O ATOM 1555 CB ARG A 106 -0.712 -0.901 8.589 1.00 0.00 C ATOM 1556 CG ARG A 106 -0.497 0.127 7.483 1.00 0.00 C ATOM 1557 CD ARG A 106 0.512 1.210 7.836 1.00 0.00 C ATOM 1558 NE ARG A 106 1.899 0.733 7.749 1.00 0.00 N ATOM 1559 CZ ARG A 106 2.791 1.154 6.826 1.00 0.00 C ATOM 1560 NH1 ARG A 106 2.395 1.935 5.818 1.00 0.00 N ATOM 1561 NH2 ARG A 106 4.046 0.730 6.883 1.00 0.00 N ATOM 0 H ARG A 106 -1.979 -2.332 10.232 1.00 0.00 H new ATOM 0 HA ARG A 106 -0.806 0.351 10.336 1.00 0.00 H new ATOM 0 HB2 ARG A 106 0.258 -1.287 8.901 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -1.273 -1.742 8.181 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -0.163 -0.388 6.582 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -1.452 0.597 7.246 1.00 0.00 H new ATOM 0 HD2 ARG A 106 0.380 2.059 7.165 1.00 0.00 H new ATOM 0 HD3 ARG A 106 0.317 1.569 8.846 1.00 0.00 H new ATOM 0 HE ARG A 106 2.208 0.039 8.430 1.00 0.00 H new ATOM 0 HH11 ARG A 106 1.417 2.215 5.744 1.00 0.00 H new ATOM 0 HH12 ARG A 106 3.070 2.252 5.122 1.00 0.00 H new ATOM 0 HH21 ARG A 106 4.335 0.089 7.622 1.00 0.00 H new ATOM 0 HH22 ARG A 106 4.723 1.045 6.188 1.00 0.00 H new ATOM 1575 N VAL A 107 -2.971 1.510 9.872 1.00 0.00 N ATOM 1576 CA VAL A 107 -4.195 2.224 9.608 1.00 0.00 C ATOM 1577 C VAL A 107 -3.904 3.411 8.683 1.00 0.00 C ATOM 1578 O VAL A 107 -2.825 4.020 8.761 1.00 0.00 O ATOM 1579 CB VAL A 107 -4.839 2.726 10.939 1.00 0.00 C ATOM 1580 CG1 VAL A 107 -6.184 3.377 10.694 1.00 0.00 C ATOM 1581 CG2 VAL A 107 -4.982 1.587 11.940 1.00 0.00 C ATOM 0 H VAL A 107 -2.296 2.027 10.436 1.00 0.00 H new ATOM 0 HA VAL A 107 -4.899 1.549 9.122 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.170 3.477 11.358 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -6.603 3.714 11.642 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -6.059 4.231 10.028 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -6.860 2.655 10.235 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -5.433 1.964 12.858 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.617 0.808 11.517 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -3.999 1.173 12.162 1.00 0.00 H new ATOM 1591 N TYR A 108 -4.830 3.696 7.789 1.00 0.00 N ATOM 1592 CA TYR A 108 -4.712 4.800 6.865 1.00 0.00 C ATOM 1593 C TYR A 108 -5.839 5.789 7.059 1.00 0.00 C ATOM 1594 O TYR A 108 -7.020 5.413 7.096 1.00 0.00 O ATOM 1595 CB TYR A 108 -4.688 4.313 5.413 1.00 0.00 C ATOM 1596 CG TYR A 108 -3.458 3.536 5.058 1.00 0.00 C ATOM 1597 CD1 TYR A 108 -3.406 2.165 5.219 1.00 0.00 C ATOM 1598 CD2 TYR A 108 -2.334 4.186 4.576 1.00 0.00 C ATOM 1599 CE1 TYR A 108 -2.269 1.464 4.908 1.00 0.00 C ATOM 1600 CE2 TYR A 108 -1.195 3.492 4.258 1.00 0.00 C ATOM 1601 CZ TYR A 108 -1.163 2.135 4.429 1.00 0.00 C ATOM 1602 OH TYR A 108 -0.018 1.443 4.128 1.00 0.00 O ATOM 0 H TYR A 108 -5.692 3.161 7.685 1.00 0.00 H new ATOM 0 HA TYR A 108 -3.766 5.299 7.075 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -5.565 3.690 5.234 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -4.767 5.174 4.749 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -4.271 1.639 5.594 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -2.355 5.258 4.448 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -2.240 0.392 5.037 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -0.330 4.013 3.875 1.00 0.00 H new ATOM 0 HH TYR A 108 0.665 2.066 3.802 1.00 0.00 H new ATOM 1612 N CYS A 109 -5.480 7.033 7.192 1.00 0.00 N ATOM 1613 CA CYS A 109 -6.437 8.102 7.348 1.00 0.00 C ATOM 1614 C CYS A 109 -6.423 8.955 6.081 1.00 0.00 C ATOM 1615 O CYS A 109 -5.353 9.365 5.633 1.00 0.00 O ATOM 1616 CB CYS A 109 -6.102 8.934 8.598 1.00 0.00 C ATOM 1617 SG CYS A 109 -7.186 10.344 8.907 1.00 0.00 S ATOM 0 H CYS A 109 -4.508 7.342 7.196 1.00 0.00 H new ATOM 0 HA CYS A 109 -7.440 7.698 7.489 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -6.131 8.278 9.468 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -5.079 9.298 8.507 1.00 0.00 H new ATOM 0 HG CYS A 109 -6.801 10.959 9.986 1.00 0.00 H new ATOM 1623 N PRO A 110 -7.612 9.199 5.469 1.00 0.00 N ATOM 1624 CA PRO A 110 -7.736 9.934 4.191 1.00 0.00 C ATOM 1625 C PRO A 110 -7.464 11.439 4.274 1.00 0.00 C ATOM 1626 O PRO A 110 -7.505 12.090 3.256 1.00 0.00 O ATOM 1627 CB PRO A 110 -9.187 9.685 3.777 1.00 0.00 C ATOM 1628 CG PRO A 110 -9.903 9.452 5.057 1.00 0.00 C ATOM 1629 CD PRO A 110 -8.926 8.734 5.948 1.00 0.00 C ATOM 0 HA PRO A 110 -6.985 9.581 3.484 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -9.599 10.540 3.241 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -9.269 8.824 3.114 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -10.221 10.394 5.504 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -10.801 8.855 4.900 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -9.082 8.985 6.997 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -9.024 7.652 5.861 1.00 0.00 H new ATOM 1637 N VAL A 111 -7.259 11.950 5.511 1.00 0.00 N ATOM 1638 CA VAL A 111 -6.875 13.367 5.883 1.00 0.00 C ATOM 1639 C VAL A 111 -7.482 14.557 5.061 1.00 0.00 C ATOM 1640 O VAL A 111 -8.124 15.446 5.642 1.00 0.00 O ATOM 1641 CB VAL A 111 -5.349 13.549 6.124 1.00 0.00 C ATOM 1642 CG1 VAL A 111 -4.890 12.637 7.230 1.00 0.00 C ATOM 1643 CG2 VAL A 111 -4.533 13.297 4.879 1.00 0.00 C ATOM 0 H VAL A 111 -7.359 11.363 6.339 1.00 0.00 H new ATOM 0 HA VAL A 111 -7.401 13.460 6.833 1.00 0.00 H new ATOM 0 HB VAL A 111 -5.191 14.589 6.410 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -3.820 12.771 7.392 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -5.429 12.877 8.147 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -5.088 11.601 6.953 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -3.475 13.438 5.102 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -4.699 12.276 4.536 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -4.835 13.996 4.099 1.00 0.00 H new ATOM 1653 N ARG A 112 -7.238 14.603 3.762 1.00 0.00 N ATOM 1654 CA ARG A 112 -7.802 15.605 2.894 1.00 0.00 C ATOM 1655 C ARG A 112 -7.956 15.019 1.500 1.00 0.00 C ATOM 1656 O ARG A 112 -7.265 14.045 1.138 1.00 0.00 O ATOM 1657 CB ARG A 112 -6.956 16.900 2.809 1.00 0.00 C ATOM 1658 CG ARG A 112 -5.644 16.775 2.062 1.00 0.00 C ATOM 1659 CD ARG A 112 -5.095 18.143 1.670 1.00 0.00 C ATOM 1660 NE ARG A 112 -4.670 18.974 2.810 1.00 0.00 N ATOM 1661 CZ ARG A 112 -5.015 20.270 2.985 1.00 0.00 C ATOM 1662 NH1 ARG A 112 -6.036 20.796 2.302 1.00 0.00 N ATOM 1663 NH2 ARG A 112 -4.387 21.015 3.891 1.00 0.00 N ATOM 0 H ARG A 112 -6.635 13.935 3.282 1.00 0.00 H new ATOM 0 HA ARG A 112 -8.765 15.887 3.319 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -7.555 17.674 2.329 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -6.746 17.243 3.822 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -4.917 16.254 2.685 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -5.789 16.169 1.167 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -4.246 18.003 1.001 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -5.859 18.681 1.108 1.00 0.00 H new ATOM 0 HE ARG A 112 -4.074 18.542 3.516 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -6.560 20.219 1.644 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -6.291 21.774 2.439 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -3.642 20.609 4.457 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -4.651 21.992 4.019 1.00 0.00 H new ATOM 1677 N THR A 113 -8.851 15.578 0.737 1.00 0.00 N ATOM 1678 CA THR A 113 -9.051 15.174 -0.633 1.00 0.00 C ATOM 1679 C THR A 113 -7.802 15.557 -1.459 1.00 0.00 C ATOM 1680 O THR A 113 -7.312 16.673 -1.335 1.00 0.00 O ATOM 1681 CB THR A 113 -10.279 15.909 -1.191 1.00 0.00 C ATOM 1682 OG1 THR A 113 -11.350 15.825 -0.232 1.00 0.00 O ATOM 1683 CG2 THR A 113 -10.741 15.287 -2.497 1.00 0.00 C ATOM 0 H THR A 113 -9.467 16.330 1.045 1.00 0.00 H new ATOM 0 HA THR A 113 -9.209 14.097 -0.689 1.00 0.00 H new ATOM 0 HB THR A 113 -10.006 16.948 -1.377 1.00 0.00 H new ATOM 0 HG1 THR A 113 -12.138 16.293 -0.579 1.00 0.00 H new ATOM 0 HG21 THR A 113 -11.612 15.827 -2.869 1.00 0.00 H new ATOM 0 HG22 THR A 113 -9.937 15.344 -3.231 1.00 0.00 H new ATOM 0 HG23 THR A 113 -11.006 14.243 -2.329 1.00 0.00 H new ATOM 1691 N CYS A 114 -7.299 14.631 -2.261 1.00 0.00 N ATOM 1692 CA CYS A 114 -6.118 14.856 -3.095 1.00 0.00 C ATOM 1693 C CYS A 114 -6.146 13.990 -4.343 1.00 0.00 C ATOM 1694 O CYS A 114 -6.028 12.765 -4.286 1.00 0.00 O ATOM 1695 CB CYS A 114 -4.785 14.660 -2.333 1.00 0.00 C ATOM 1696 SG CYS A 114 -4.330 16.015 -1.212 1.00 0.00 S ATOM 0 H CYS A 114 -7.697 13.697 -2.355 1.00 0.00 H new ATOM 0 HA CYS A 114 -6.162 15.904 -3.392 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -4.847 13.737 -1.756 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -3.985 14.528 -3.061 1.00 0.00 H new ATOM 0 HG CYS A 114 -5.397 16.680 -0.879 1.00 0.00 H new ATOM 1702 N GLN A 115 -6.328 14.625 -5.449 1.00 0.00 N ATOM 1703 CA GLN A 115 -6.344 13.973 -6.733 1.00 0.00 C ATOM 1704 C GLN A 115 -5.002 14.266 -7.370 1.00 0.00 C ATOM 1705 O GLN A 115 -4.464 15.337 -7.145 1.00 0.00 O ATOM 1706 CB GLN A 115 -7.475 14.586 -7.568 1.00 0.00 C ATOM 1707 CG GLN A 115 -7.641 14.013 -8.962 1.00 0.00 C ATOM 1708 CD GLN A 115 -8.660 14.790 -9.766 1.00 0.00 C ATOM 1709 OE1 GLN A 115 -8.318 15.757 -10.452 1.00 0.00 O ATOM 1710 NE2 GLN A 115 -9.903 14.402 -9.687 1.00 0.00 N ATOM 0 H GLN A 115 -6.474 15.633 -5.498 1.00 0.00 H new ATOM 0 HA GLN A 115 -6.508 12.898 -6.657 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -8.413 14.458 -7.027 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -7.300 15.658 -7.653 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -6.681 14.028 -9.479 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -7.950 12.970 -8.893 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -10.151 13.598 -9.110 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -10.627 14.903 -10.202 1.00 0.00 H new ATOM 1719 N GLY A 116 -4.432 13.349 -8.096 1.00 0.00 N ATOM 1720 CA GLY A 116 -3.173 13.656 -8.710 1.00 0.00 C ATOM 1721 C GLY A 116 -2.273 12.477 -8.840 1.00 0.00 C ATOM 1722 O GLY A 116 -2.680 11.336 -8.603 1.00 0.00 O ATOM 0 H GLY A 116 -4.801 12.415 -8.274 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -3.353 14.077 -9.699 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -2.670 14.425 -8.124 1.00 0.00 H new ATOM 1726 N VAL A 117 -1.058 12.760 -9.220 1.00 0.00 N ATOM 1727 CA VAL A 117 -0.017 11.786 -9.396 1.00 0.00 C ATOM 1728 C VAL A 117 1.222 12.362 -8.734 1.00 0.00 C ATOM 1729 O VAL A 117 1.605 13.494 -9.048 1.00 0.00 O ATOM 1730 CB VAL A 117 0.285 11.504 -10.911 1.00 0.00 C ATOM 1731 CG1 VAL A 117 1.437 10.513 -11.071 1.00 0.00 C ATOM 1732 CG2 VAL A 117 -0.949 10.972 -11.625 1.00 0.00 C ATOM 0 H VAL A 117 -0.754 13.712 -9.423 1.00 0.00 H new ATOM 0 HA VAL A 117 -0.324 10.837 -8.957 1.00 0.00 H new ATOM 0 HB VAL A 117 0.574 12.452 -11.364 1.00 0.00 H new ATOM 0 HG11 VAL A 117 1.622 10.338 -12.131 1.00 0.00 H new ATOM 0 HG12 VAL A 117 2.335 10.922 -10.608 1.00 0.00 H new ATOM 0 HG13 VAL A 117 1.176 9.571 -10.588 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -0.711 10.785 -12.672 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -1.269 10.042 -11.154 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -1.752 11.707 -11.560 1.00 0.00 H new ATOM 1742 N PRO A 118 1.809 11.631 -7.769 1.00 0.00 N ATOM 1743 CA PRO A 118 3.003 12.064 -7.028 1.00 0.00 C ATOM 1744 C PRO A 118 4.107 12.638 -7.934 1.00 0.00 C ATOM 1745 O PRO A 118 4.421 12.065 -8.978 1.00 0.00 O ATOM 1746 CB PRO A 118 3.484 10.777 -6.385 1.00 0.00 C ATOM 1747 CG PRO A 118 2.249 9.997 -6.162 1.00 0.00 C ATOM 1748 CD PRO A 118 1.341 10.309 -7.310 1.00 0.00 C ATOM 0 HA PRO A 118 2.771 12.868 -6.330 1.00 0.00 H new ATOM 0 HB2 PRO A 118 4.180 10.244 -7.033 1.00 0.00 H new ATOM 0 HB3 PRO A 118 4.006 10.971 -5.448 1.00 0.00 H new ATOM 0 HG2 PRO A 118 2.466 8.930 -6.117 1.00 0.00 H new ATOM 0 HG3 PRO A 118 1.784 10.268 -5.214 1.00 0.00 H new ATOM 0 HD2 PRO A 118 1.418 9.560 -8.098 1.00 0.00 H new ATOM 0 HD3 PRO A 118 0.297 10.338 -6.999 1.00 0.00 H new ATOM 1756 N PRO A 119 4.720 13.769 -7.543 1.00 0.00 N ATOM 1757 CA PRO A 119 4.429 14.472 -6.304 1.00 0.00 C ATOM 1758 C PRO A 119 3.415 15.612 -6.471 1.00 0.00 C ATOM 1759 O PRO A 119 3.299 16.463 -5.601 1.00 0.00 O ATOM 1760 CB PRO A 119 5.799 15.053 -5.923 1.00 0.00 C ATOM 1761 CG PRO A 119 6.608 15.079 -7.190 1.00 0.00 C ATOM 1762 CD PRO A 119 5.778 14.441 -8.277 1.00 0.00 C ATOM 0 HA PRO A 119 3.981 13.810 -5.563 1.00 0.00 H new ATOM 0 HB2 PRO A 119 5.695 16.055 -5.506 1.00 0.00 H new ATOM 0 HB3 PRO A 119 6.284 14.440 -5.163 1.00 0.00 H new ATOM 0 HG2 PRO A 119 6.867 16.103 -7.458 1.00 0.00 H new ATOM 0 HG3 PRO A 119 7.545 14.538 -7.057 1.00 0.00 H new ATOM 0 HD2 PRO A 119 5.379 15.185 -8.966 1.00 0.00 H new ATOM 0 HD3 PRO A 119 6.364 13.739 -8.870 1.00 0.00 H new ATOM 1770 N ASN A 120 2.668 15.616 -7.550 1.00 0.00 N ATOM 1771 CA ASN A 120 1.724 16.698 -7.791 1.00 0.00 C ATOM 1772 C ASN A 120 0.341 16.317 -7.287 1.00 0.00 C ATOM 1773 O ASN A 120 -0.375 15.534 -7.925 1.00 0.00 O ATOM 1774 CB ASN A 120 1.665 17.042 -9.290 1.00 0.00 C ATOM 1775 CG ASN A 120 0.719 18.197 -9.607 1.00 0.00 C ATOM 1776 OD1 ASN A 120 1.122 19.364 -9.593 1.00 0.00 O ATOM 1777 ND2 ASN A 120 -0.523 17.895 -9.924 1.00 0.00 N ATOM 0 H ASN A 120 2.689 14.895 -8.271 1.00 0.00 H new ATOM 0 HA ASN A 120 2.066 17.578 -7.246 1.00 0.00 H new ATOM 0 HB2 ASN A 120 2.667 17.296 -9.637 1.00 0.00 H new ATOM 0 HB3 ASN A 120 1.349 16.159 -9.846 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -1.182 18.635 -10.167 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -0.826 16.921 -9.927 1.00 0.00 H new ATOM 1784 N HIS A 121 -0.023 16.835 -6.137 1.00 0.00 N ATOM 1785 CA HIS A 121 -1.333 16.581 -5.581 1.00 0.00 C ATOM 1786 C HIS A 121 -2.237 17.797 -5.742 1.00 0.00 C ATOM 1787 O HIS A 121 -1.787 18.931 -5.599 1.00 0.00 O ATOM 1788 CB HIS A 121 -1.280 16.094 -4.092 1.00 0.00 C ATOM 1789 CG HIS A 121 -0.751 17.077 -3.057 1.00 0.00 C ATOM 1790 ND1 HIS A 121 0.484 16.961 -2.464 1.00 0.00 N ATOM 1791 CD2 HIS A 121 -1.329 18.157 -2.480 1.00 0.00 C ATOM 1792 CE1 HIS A 121 0.637 17.917 -1.573 1.00 0.00 C ATOM 1793 NE2 HIS A 121 -0.448 18.653 -1.568 1.00 0.00 N ATOM 0 H HIS A 121 0.571 17.437 -5.566 1.00 0.00 H new ATOM 0 HA HIS A 121 -1.763 15.758 -6.152 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -2.288 15.802 -3.796 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -0.663 15.196 -4.052 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -2.309 18.552 -2.702 1.00 0.00 H new ATOM 0 HE1 HIS A 121 1.507 18.069 -0.952 1.00 0.00 H new ATOM 0 HE2 HIS A 121 -0.607 19.468 -0.975 1.00 0.00 H new ATOM 1802 N ILE A 122 -3.471 17.563 -6.083 1.00 0.00 N ATOM 1803 CA ILE A 122 -4.485 18.600 -6.130 1.00 0.00 C ATOM 1804 C ILE A 122 -5.331 18.440 -4.864 1.00 0.00 C ATOM 1805 O ILE A 122 -6.185 17.533 -4.787 1.00 0.00 O ATOM 1806 CB ILE A 122 -5.396 18.454 -7.394 1.00 0.00 C ATOM 1807 CG1 ILE A 122 -4.563 18.484 -8.693 1.00 0.00 C ATOM 1808 CG2 ILE A 122 -6.484 19.528 -7.429 1.00 0.00 C ATOM 1809 CD1 ILE A 122 -3.772 19.762 -8.907 1.00 0.00 C ATOM 0 H ILE A 122 -3.815 16.638 -6.341 1.00 0.00 H new ATOM 0 HA ILE A 122 -4.016 19.582 -6.186 1.00 0.00 H new ATOM 0 HB ILE A 122 -5.885 17.482 -7.326 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -3.872 17.641 -8.685 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -5.232 18.340 -9.541 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -7.097 19.396 -8.320 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -7.110 19.441 -6.541 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -6.021 20.514 -7.450 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -3.218 19.694 -9.843 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -4.455 20.610 -8.951 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -3.074 19.901 -8.081 1.00 0.00 H new ATOM 1821 N PRO A 123 -5.062 19.259 -3.838 1.00 0.00 N ATOM 1822 CA PRO A 123 -5.708 19.139 -2.548 1.00 0.00 C ATOM 1823 C PRO A 123 -7.057 19.842 -2.463 1.00 0.00 C ATOM 1824 O PRO A 123 -7.299 20.879 -3.116 1.00 0.00 O ATOM 1825 CB PRO A 123 -4.709 19.798 -1.608 1.00 0.00 C ATOM 1826 CG PRO A 123 -4.081 20.869 -2.427 1.00 0.00 C ATOM 1827 CD PRO A 123 -4.107 20.390 -3.857 1.00 0.00 C ATOM 0 HA PRO A 123 -5.939 18.099 -2.317 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -5.203 20.209 -0.728 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -3.967 19.083 -1.252 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -4.627 21.807 -2.323 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -3.058 21.057 -2.100 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -4.434 21.177 -4.536 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -3.119 20.073 -4.190 1.00 0.00 H new ATOM 1835 N GLY A 124 -7.914 19.267 -1.680 1.00 0.00 N ATOM 1836 CA GLY A 124 -9.188 19.824 -1.399 1.00 0.00 C ATOM 1837 C GLY A 124 -9.371 19.985 0.087 1.00 0.00 C ATOM 1838 O GLY A 124 -8.387 20.229 0.809 1.00 0.00 O ATOM 0 H GLY A 124 -7.738 18.378 -1.211 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -9.286 20.791 -1.891 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -9.971 19.181 -1.801 1.00 0.00 H new ATOM 1842 N VAL A 125 -10.593 19.790 0.541 1.00 0.00 N ATOM 1843 CA VAL A 125 -10.975 19.958 1.943 1.00 0.00 C ATOM 1844 C VAL A 125 -10.200 19.012 2.862 1.00 0.00 C ATOM 1845 O VAL A 125 -10.172 17.792 2.643 1.00 0.00 O ATOM 1846 CB VAL A 125 -12.511 19.741 2.139 1.00 0.00 C ATOM 1847 CG1 VAL A 125 -12.917 19.888 3.604 1.00 0.00 C ATOM 1848 CG2 VAL A 125 -13.301 20.715 1.280 1.00 0.00 C ATOM 0 H VAL A 125 -11.367 19.505 -0.059 1.00 0.00 H new ATOM 0 HA VAL A 125 -10.723 20.983 2.216 1.00 0.00 H new ATOM 0 HB VAL A 125 -12.740 18.722 1.826 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -13.991 19.731 3.701 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -12.386 19.149 4.205 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -12.664 20.889 3.953 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -14.368 20.549 1.429 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -13.049 21.737 1.563 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -13.053 20.558 0.230 1.00 0.00 H new ATOM 1858 N ALA A 126 -9.515 19.597 3.818 1.00 0.00 N ATOM 1859 CA ALA A 126 -8.818 18.862 4.844 1.00 0.00 C ATOM 1860 C ALA A 126 -9.703 18.728 6.056 1.00 0.00 C ATOM 1861 O ALA A 126 -10.469 19.645 6.375 1.00 0.00 O ATOM 1862 CB ALA A 126 -7.531 19.562 5.232 1.00 0.00 C ATOM 0 H ALA A 126 -9.426 20.609 3.904 1.00 0.00 H new ATOM 0 HA ALA A 126 -8.570 17.875 4.454 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -7.024 18.988 6.007 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -6.884 19.643 4.359 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -7.759 20.559 5.609 1.00 0.00 H new ATOM 1868 N TRP A 127 -9.609 17.625 6.735 1.00 0.00 N ATOM 1869 CA TRP A 127 -10.382 17.430 7.936 1.00 0.00 C ATOM 1870 C TRP A 127 -9.501 17.553 9.177 1.00 0.00 C ATOM 1871 O TRP A 127 -9.881 17.139 10.280 1.00 0.00 O ATOM 1872 CB TRP A 127 -11.097 16.083 7.912 1.00 0.00 C ATOM 1873 CG TRP A 127 -12.043 15.924 6.760 1.00 0.00 C ATOM 1874 CD1 TRP A 127 -13.199 16.620 6.543 1.00 0.00 C ATOM 1875 CD2 TRP A 127 -11.925 14.994 5.681 1.00 0.00 C ATOM 1876 NE1 TRP A 127 -13.791 16.192 5.385 1.00 0.00 N ATOM 1877 CE2 TRP A 127 -13.032 15.194 4.837 1.00 0.00 C ATOM 1878 CE3 TRP A 127 -10.986 14.017 5.340 1.00 0.00 C ATOM 1879 CZ2 TRP A 127 -13.224 14.452 3.678 1.00 0.00 C ATOM 1880 CZ3 TRP A 127 -11.181 13.282 4.190 1.00 0.00 C ATOM 1881 CH2 TRP A 127 -12.290 13.503 3.371 1.00 0.00 C ATOM 0 H TRP A 127 -9.006 16.842 6.482 1.00 0.00 H new ATOM 0 HA TRP A 127 -11.139 18.213 7.978 1.00 0.00 H new ATOM 0 HB2 TRP A 127 -10.353 15.287 7.872 1.00 0.00 H new ATOM 0 HB3 TRP A 127 -11.649 15.958 8.844 1.00 0.00 H new ATOM 0 HD1 TRP A 127 -13.588 17.393 7.189 1.00 0.00 H new ATOM 0 HE1 TRP A 127 -14.659 16.558 4.994 1.00 0.00 H new ATOM 0 HE3 TRP A 127 -10.123 13.841 5.966 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 -14.081 14.619 3.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 -10.463 12.522 3.918 1.00 0.00 H new ATOM 0 HH2 TRP A 127 -12.412 12.911 2.476 1.00 0.00 H new ATOM 1892 N GLY A 128 -8.356 18.163 9.017 1.00 0.00 N ATOM 1893 CA GLY A 128 -7.472 18.314 10.127 1.00 0.00 C ATOM 1894 C GLY A 128 -6.367 19.288 9.860 1.00 0.00 C ATOM 1895 O GLY A 128 -6.425 20.063 8.896 1.00 0.00 O ATOM 0 H GLY A 128 -8.022 18.557 8.137 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -8.040 18.646 10.996 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -7.043 17.344 10.378 1.00 0.00 H new ATOM 1899 N VAL A 129 -5.382 19.254 10.709 1.00 0.00 N ATOM 1900 CA VAL A 129 -4.229 20.122 10.648 1.00 0.00 C ATOM 1901 C VAL A 129 -2.974 19.252 10.600 1.00 0.00 C ATOM 1902 O VAL A 129 -2.908 18.227 11.286 1.00 0.00 O ATOM 1903 CB VAL A 129 -4.161 21.036 11.916 1.00 0.00 C ATOM 1904 CG1 VAL A 129 -2.991 22.007 11.848 1.00 0.00 C ATOM 1905 CG2 VAL A 129 -5.472 21.789 12.133 1.00 0.00 C ATOM 0 H VAL A 129 -5.353 18.601 11.492 1.00 0.00 H new ATOM 0 HA VAL A 129 -4.301 20.754 9.763 1.00 0.00 H new ATOM 0 HB VAL A 129 -4.001 20.380 12.772 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -2.978 22.624 12.746 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -2.058 21.448 11.778 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -3.098 22.645 10.971 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -5.390 22.414 13.022 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -5.679 22.416 11.266 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -6.284 21.074 12.266 1.00 0.00 H new ATOM 1915 N PHE A 130 -2.019 19.637 9.784 1.00 0.00 N ATOM 1916 CA PHE A 130 -0.765 18.928 9.675 1.00 0.00 C ATOM 1917 C PHE A 130 0.309 19.730 10.384 1.00 0.00 C ATOM 1918 O PHE A 130 0.378 20.962 10.230 1.00 0.00 O ATOM 1919 CB PHE A 130 -0.373 18.729 8.200 1.00 0.00 C ATOM 1920 CG PHE A 130 -1.361 17.930 7.391 1.00 0.00 C ATOM 1921 CD1 PHE A 130 -2.407 18.558 6.730 1.00 0.00 C ATOM 1922 CD2 PHE A 130 -1.236 16.556 7.284 1.00 0.00 C ATOM 1923 CE1 PHE A 130 -3.309 17.831 5.983 1.00 0.00 C ATOM 1924 CE2 PHE A 130 -2.133 15.824 6.534 1.00 0.00 C ATOM 1925 CZ PHE A 130 -3.173 16.465 5.884 1.00 0.00 C ATOM 0 H PHE A 130 -2.091 20.453 9.176 1.00 0.00 H new ATOM 0 HA PHE A 130 -0.870 17.945 10.134 1.00 0.00 H new ATOM 0 HB2 PHE A 130 -0.250 19.707 7.735 1.00 0.00 H new ATOM 0 HB3 PHE A 130 0.596 18.232 8.159 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -2.516 19.630 6.802 1.00 0.00 H new ATOM 0 HD2 PHE A 130 -0.428 16.052 7.793 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -4.121 18.332 5.477 1.00 0.00 H new ATOM 0 HE2 PHE A 130 -2.024 14.752 6.454 1.00 0.00 H new ATOM 0 HZ PHE A 130 -3.878 15.893 5.299 1.00 0.00 H new ATOM 1935 N LYS A 131 1.101 19.064 11.167 1.00 0.00 N ATOM 1936 CA LYS A 131 2.165 19.683 11.903 1.00 0.00 C ATOM 1937 C LYS A 131 3.412 18.830 11.705 1.00 0.00 C ATOM 1938 O LYS A 131 3.510 17.765 12.319 1.00 0.00 O ATOM 1939 CB LYS A 131 1.752 19.799 13.404 1.00 0.00 C ATOM 1940 CG LYS A 131 2.627 20.704 14.299 1.00 0.00 C ATOM 1941 CD LYS A 131 4.010 20.134 14.625 1.00 0.00 C ATOM 1942 CE LYS A 131 3.931 18.887 15.501 1.00 0.00 C ATOM 1943 NZ LYS A 131 5.274 18.361 15.841 1.00 0.00 N ATOM 1944 OXT LYS A 131 4.293 19.208 10.915 1.00 0.00 O ATOM 0 H LYS A 131 1.026 18.058 11.316 1.00 0.00 H new ATOM 0 HA LYS A 131 2.372 20.694 11.552 1.00 0.00 H new ATOM 0 HB2 LYS A 131 0.727 20.168 13.447 1.00 0.00 H new ATOM 0 HB3 LYS A 131 1.749 18.797 13.834 1.00 0.00 H new ATOM 0 HG2 LYS A 131 2.753 21.668 13.805 1.00 0.00 H new ATOM 0 HG3 LYS A 131 2.096 20.891 15.233 1.00 0.00 H new ATOM 0 HD2 LYS A 131 4.528 19.891 13.697 1.00 0.00 H new ATOM 0 HD3 LYS A 131 4.604 20.895 15.132 1.00 0.00 H new ATOM 0 HE2 LYS A 131 3.391 19.122 16.418 1.00 0.00 H new ATOM 0 HE3 LYS A 131 3.360 18.116 14.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 5.175 17.514 16.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 5.781 18.112 14.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 5.811 19.087 16.358 1.00 0.00 H new