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 14:sc= -0.256 USER MOD Set 1.2: A 121 HIS : no HD1:sc= 0 X(o=-0.26,f=-0.28) USER MOD Set 2.1: A 94 HIS : no HE2:sc= -1.52 X(o=-1.5,f=-1.3) USER MOD Set 2.2: A 113 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 44 THR OG1 : rot -113:sc= -1.31 USER MOD Set 3.2: A 91 GLN : amide:sc= 1.15 K(o=-0.17,f=-2.8!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0309) USER MOD Single : A 40 ASN : amide:sc= -0.393 K(o=-0.39,f=-7.2!) USER MOD Single : A 41 GLN : amide:sc= 0.283 X(o=0.28,f=-0.15) USER MOD Single : A 42 TYR OH : rot -75:sc= 0.109 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -131:sc= 1.3 (180deg=0.434) USER MOD Single : A 50 ASN : amide:sc= -0.402 X(o=-0.4,f=-0.018) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0.708 K(o=0.71,f=-1.5) USER MOD Single : A 57 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 58 GLN :FLIP amide:sc= -0.197 F(o=-0.97,f=-0.2) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.00798 USER MOD Single : A 66 SER OG : rot -83:sc= 0.627 USER MOD Single : A 70 ASN : amide:sc= 0.0411 K(o=0.041,f=-5.4!) USER MOD Single : A 76 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 80:sc= -0.113 USER MOD Single : A 89 CYS SG : rot -130:sc= -2.82 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= 0.216 K(o=0.22,f=-6.1!) USER MOD Single : A 105 ASN : amide:sc= -1.4 K(o=-1.4,f=-8.6!) USER MOD Single : A 108 TYR OH : rot -145:sc= 1.27 USER MOD Single : A 109 CYS SG : rot 180:sc= -0.837 USER MOD Single : A 115 GLN :FLIP amide:sc= -0.0118 F(o=-1.1,f=-0.012) USER MOD Single : A 120 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 504 N TRP A 37 8.986 9.227 -3.479 1.00 0.00 N ATOM 505 CA TRP A 37 7.742 8.521 -3.568 1.00 0.00 C ATOM 506 C TRP A 37 8.033 7.117 -4.052 1.00 0.00 C ATOM 507 O TRP A 37 8.831 6.927 -4.981 1.00 0.00 O ATOM 508 CB TRP A 37 6.764 9.231 -4.510 1.00 0.00 C ATOM 509 CG TRP A 37 6.264 10.548 -3.988 1.00 0.00 C ATOM 510 CD1 TRP A 37 6.808 11.786 -4.193 1.00 0.00 C ATOM 511 CD2 TRP A 37 5.105 10.753 -3.169 1.00 0.00 C ATOM 512 NE1 TRP A 37 6.056 12.741 -3.550 1.00 0.00 N ATOM 513 CE2 TRP A 37 5.008 12.134 -2.917 1.00 0.00 C ATOM 514 CE3 TRP A 37 4.141 9.900 -2.624 1.00 0.00 C ATOM 515 CZ2 TRP A 37 3.985 12.680 -2.146 1.00 0.00 C ATOM 516 CZ3 TRP A 37 3.131 10.444 -1.859 1.00 0.00 C ATOM 517 CH2 TRP A 37 3.059 11.822 -1.627 1.00 0.00 C ATOM 0 HA TRP A 37 7.268 8.489 -2.587 1.00 0.00 H new ATOM 0 HB2 TRP A 37 7.253 9.394 -5.470 1.00 0.00 H new ATOM 0 HB3 TRP A 37 5.912 8.577 -4.693 1.00 0.00 H new ATOM 0 HD1 TRP A 37 7.697 11.984 -4.774 1.00 0.00 H new ATOM 0 HE1 TRP A 37 6.250 13.742 -3.546 1.00 0.00 H new ATOM 0 HE3 TRP A 37 4.186 8.835 -2.799 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 3.926 13.743 -1.965 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.382 9.795 -1.431 1.00 0.00 H new ATOM 0 HH2 TRP A 37 2.254 12.215 -1.024 1.00 0.00 H new ATOM 528 N LYS A 38 7.466 6.157 -3.392 1.00 0.00 N ATOM 529 CA LYS A 38 7.648 4.765 -3.708 1.00 0.00 C ATOM 530 C LYS A 38 6.274 4.141 -3.907 1.00 0.00 C ATOM 531 O LYS A 38 5.334 4.480 -3.197 1.00 0.00 O ATOM 532 CB LYS A 38 8.396 4.079 -2.550 1.00 0.00 C ATOM 533 CG LYS A 38 9.717 4.762 -2.195 1.00 0.00 C ATOM 534 CD LYS A 38 10.385 4.144 -0.982 1.00 0.00 C ATOM 535 CE LYS A 38 11.655 4.910 -0.616 1.00 0.00 C ATOM 536 NZ LYS A 38 12.369 4.301 0.525 1.00 0.00 N ATOM 0 H LYS A 38 6.847 6.318 -2.597 1.00 0.00 H new ATOM 0 HA LYS A 38 8.236 4.644 -4.618 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.754 4.065 -1.669 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.592 3.041 -2.818 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.393 4.702 -3.048 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.535 5.820 -2.006 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.695 4.150 -0.138 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.629 3.102 -1.187 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.318 4.943 -1.480 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.397 5.941 -0.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 13.223 4.855 0.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.747 4.292 1.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.640 3.326 0.285 1.00 0.00 H new ATOM 550 N LYS A 39 6.151 3.271 -4.867 1.00 0.00 N ATOM 551 CA LYS A 39 4.879 2.654 -5.181 1.00 0.00 C ATOM 552 C LYS A 39 4.689 1.380 -4.374 1.00 0.00 C ATOM 553 O LYS A 39 5.472 0.427 -4.486 1.00 0.00 O ATOM 554 CB LYS A 39 4.783 2.346 -6.686 1.00 0.00 C ATOM 555 CG LYS A 39 3.467 1.700 -7.130 1.00 0.00 C ATOM 556 CD LYS A 39 3.513 1.336 -8.608 1.00 0.00 C ATOM 557 CE LYS A 39 2.279 0.561 -9.056 1.00 0.00 C ATOM 558 NZ LYS A 39 1.050 1.386 -9.107 1.00 0.00 N ATOM 0 H LYS A 39 6.924 2.964 -5.458 1.00 0.00 H new ATOM 0 HA LYS A 39 4.087 3.355 -4.917 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.921 3.274 -7.241 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.606 1.685 -6.960 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.278 0.805 -6.537 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.640 2.386 -6.946 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.601 2.246 -9.201 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.404 0.740 -8.805 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.464 0.138 -10.043 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.118 -0.275 -8.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.235 0.781 -9.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.897 1.838 -8.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.154 2.118 -9.838 1.00 0.00 H new ATOM 572 N ASN A 40 3.679 1.371 -3.557 1.00 0.00 N ATOM 573 CA ASN A 40 3.331 0.198 -2.799 1.00 0.00 C ATOM 574 C ASN A 40 2.351 -0.606 -3.657 1.00 0.00 C ATOM 575 O ASN A 40 1.618 -0.019 -4.468 1.00 0.00 O ATOM 576 CB ASN A 40 2.725 0.613 -1.432 1.00 0.00 C ATOM 577 CG ASN A 40 2.556 -0.532 -0.428 1.00 0.00 C ATOM 578 OD1 ASN A 40 2.272 -1.671 -0.784 1.00 0.00 O ATOM 579 ND2 ASN A 40 2.753 -0.241 0.829 1.00 0.00 N ATOM 0 H ASN A 40 3.071 2.174 -3.394 1.00 0.00 H new ATOM 0 HA ASN A 40 4.202 -0.417 -2.571 1.00 0.00 H new ATOM 0 HB2 ASN A 40 3.361 1.377 -0.986 1.00 0.00 H new ATOM 0 HB3 ASN A 40 1.751 1.071 -1.606 1.00 0.00 H new ATOM 0 HD21 ASN A 40 2.672 -0.968 1.540 1.00 0.00 H new ATOM 0 HD22 ASN A 40 2.988 0.714 1.101 1.00 0.00 H new ATOM 586 N GLN A 41 2.318 -1.916 -3.477 1.00 0.00 N ATOM 587 CA GLN A 41 1.532 -2.836 -4.313 1.00 0.00 C ATOM 588 C GLN A 41 0.008 -2.552 -4.263 1.00 0.00 C ATOM 589 O GLN A 41 -0.749 -3.023 -5.116 1.00 0.00 O ATOM 590 CB GLN A 41 1.846 -4.294 -3.929 1.00 0.00 C ATOM 591 CG GLN A 41 1.262 -5.354 -4.863 1.00 0.00 C ATOM 592 CD GLN A 41 1.688 -5.168 -6.316 1.00 0.00 C ATOM 593 OE1 GLN A 41 2.705 -5.689 -6.756 1.00 0.00 O ATOM 594 NE2 GLN A 41 0.904 -4.435 -7.066 1.00 0.00 N ATOM 0 H GLN A 41 2.841 -2.386 -2.738 1.00 0.00 H new ATOM 0 HA GLN A 41 1.829 -2.668 -5.348 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.928 -4.419 -3.896 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.473 -4.476 -2.921 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.573 -6.342 -4.522 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.174 -5.324 -4.802 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.064 -4.015 -6.668 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.133 -4.284 -8.048 1.00 0.00 H new ATOM 603 N TYR A 42 -0.428 -1.747 -3.304 1.00 0.00 N ATOM 604 CA TYR A 42 -1.845 -1.361 -3.213 1.00 0.00 C ATOM 605 C TYR A 42 -2.176 -0.324 -4.305 1.00 0.00 C ATOM 606 O TYR A 42 -3.335 0.031 -4.518 1.00 0.00 O ATOM 607 CB TYR A 42 -2.170 -0.713 -1.858 1.00 0.00 C ATOM 608 CG TYR A 42 -1.823 -1.510 -0.621 1.00 0.00 C ATOM 609 CD1 TYR A 42 -2.531 -2.649 -0.263 1.00 0.00 C ATOM 610 CD2 TYR A 42 -0.799 -1.092 0.209 1.00 0.00 C ATOM 611 CE1 TYR A 42 -2.215 -3.349 0.893 1.00 0.00 C ATOM 612 CE2 TYR A 42 -0.483 -1.774 1.357 1.00 0.00 C ATOM 613 CZ TYR A 42 -1.187 -2.899 1.699 1.00 0.00 C ATOM 614 OH TYR A 42 -0.872 -3.570 2.866 1.00 0.00 O ATOM 0 H TYR A 42 0.167 -1.347 -2.579 1.00 0.00 H new ATOM 0 HA TYR A 42 -2.432 -2.271 -3.335 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -1.648 0.242 -1.804 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -3.238 -0.495 -1.833 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -3.338 -2.995 -0.892 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -0.235 -0.209 -0.052 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -2.768 -4.238 1.160 1.00 0.00 H new ATOM 0 HE2 TYR A 42 0.319 -1.425 1.990 1.00 0.00 H new ATOM 0 HH TYR A 42 -1.544 -3.369 3.550 1.00 0.00 H new ATOM 624 N GLY A 43 -1.149 0.162 -4.975 1.00 0.00 N ATOM 625 CA GLY A 43 -1.326 1.196 -5.963 1.00 0.00 C ATOM 626 C GLY A 43 -1.282 2.537 -5.301 1.00 0.00 C ATOM 627 O GLY A 43 -1.791 3.530 -5.809 1.00 0.00 O ATOM 0 H GLY A 43 -0.185 -0.146 -4.850 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.545 1.127 -6.720 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.279 1.064 -6.476 1.00 0.00 H new ATOM 631 N THR A 44 -0.708 2.536 -4.143 1.00 0.00 N ATOM 632 CA THR A 44 -0.561 3.691 -3.351 1.00 0.00 C ATOM 633 C THR A 44 0.893 4.138 -3.406 1.00 0.00 C ATOM 634 O THR A 44 1.797 3.319 -3.219 1.00 0.00 O ATOM 635 CB THR A 44 -0.932 3.335 -1.912 1.00 0.00 C ATOM 636 OG1 THR A 44 -2.202 2.667 -1.917 1.00 0.00 O ATOM 637 CG2 THR A 44 -1.020 4.573 -1.053 1.00 0.00 C ATOM 0 H THR A 44 -0.318 1.696 -3.716 1.00 0.00 H new ATOM 0 HA THR A 44 -1.203 4.493 -3.714 1.00 0.00 H new ATOM 0 HB THR A 44 -0.160 2.687 -1.497 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.870 3.231 -1.474 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.285 4.291 -0.034 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.056 5.082 -1.049 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.782 5.241 -1.455 1.00 0.00 H new ATOM 645 N TRP A 45 1.119 5.383 -3.699 1.00 0.00 N ATOM 646 CA TRP A 45 2.461 5.919 -3.676 1.00 0.00 C ATOM 647 C TRP A 45 2.705 6.499 -2.313 1.00 0.00 C ATOM 648 O TRP A 45 1.851 7.202 -1.796 1.00 0.00 O ATOM 649 CB TRP A 45 2.654 6.988 -4.751 1.00 0.00 C ATOM 650 CG TRP A 45 2.694 6.453 -6.152 1.00 0.00 C ATOM 651 CD1 TRP A 45 1.633 6.179 -6.966 1.00 0.00 C ATOM 652 CD2 TRP A 45 3.872 6.147 -6.909 1.00 0.00 C ATOM 653 NE1 TRP A 45 2.083 5.712 -8.177 1.00 0.00 N ATOM 654 CE2 TRP A 45 3.452 5.685 -8.168 1.00 0.00 C ATOM 655 CE3 TRP A 45 5.240 6.218 -6.640 1.00 0.00 C ATOM 656 CZ2 TRP A 45 4.355 5.296 -9.158 1.00 0.00 C ATOM 657 CZ3 TRP A 45 6.132 5.833 -7.618 1.00 0.00 C ATOM 658 CH2 TRP A 45 5.689 5.378 -8.863 1.00 0.00 C ATOM 0 H TRP A 45 0.395 6.054 -3.958 1.00 0.00 H new ATOM 0 HA TRP A 45 3.174 5.122 -3.886 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.845 7.714 -4.675 1.00 0.00 H new ATOM 0 HB3 TRP A 45 3.582 7.523 -4.552 1.00 0.00 H new ATOM 0 HD1 TRP A 45 0.595 6.310 -6.698 1.00 0.00 H new ATOM 0 HE1 TRP A 45 1.491 5.430 -8.959 1.00 0.00 H new ATOM 0 HE3 TRP A 45 5.594 6.569 -5.682 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 4.014 4.944 -10.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 7.192 5.884 -7.419 1.00 0.00 H new ATOM 0 HH2 TRP A 45 6.414 5.085 -9.608 1.00 0.00 H new ATOM 669 N TYR A 46 3.812 6.181 -1.712 1.00 0.00 N ATOM 670 CA TYR A 46 4.097 6.679 -0.392 1.00 0.00 C ATOM 671 C TYR A 46 5.480 7.272 -0.326 1.00 0.00 C ATOM 672 O TYR A 46 6.385 6.827 -1.022 1.00 0.00 O ATOM 673 CB TYR A 46 3.923 5.585 0.686 1.00 0.00 C ATOM 674 CG TYR A 46 4.957 4.472 0.685 1.00 0.00 C ATOM 675 CD1 TYR A 46 4.882 3.416 -0.206 1.00 0.00 C ATOM 676 CD2 TYR A 46 6.001 4.479 1.604 1.00 0.00 C ATOM 677 CE1 TYR A 46 5.813 2.398 -0.184 1.00 0.00 C ATOM 678 CE2 TYR A 46 6.937 3.471 1.629 1.00 0.00 C ATOM 679 CZ TYR A 46 6.840 2.434 0.736 1.00 0.00 C ATOM 680 OH TYR A 46 7.762 1.411 0.776 1.00 0.00 O ATOM 0 H TYR A 46 4.534 5.580 -2.110 1.00 0.00 H new ATOM 0 HA TYR A 46 3.373 7.466 -0.182 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.936 6.064 1.665 1.00 0.00 H new ATOM 0 HB3 TYR A 46 2.937 5.137 0.563 1.00 0.00 H new ATOM 0 HD1 TYR A 46 4.082 3.388 -0.931 1.00 0.00 H new ATOM 0 HD2 TYR A 46 6.078 5.291 2.312 1.00 0.00 H new ATOM 0 HE1 TYR A 46 5.738 1.578 -0.883 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.743 3.496 2.347 1.00 0.00 H new ATOM 0 HH TYR A 46 8.420 1.591 1.480 1.00 0.00 H new ATOM 690 N LYS A 47 5.632 8.265 0.489 1.00 0.00 N ATOM 691 CA LYS A 47 6.898 8.897 0.697 1.00 0.00 C ATOM 692 C LYS A 47 7.201 8.872 2.192 1.00 0.00 C ATOM 693 O LYS A 47 6.267 8.982 3.012 1.00 0.00 O ATOM 694 CB LYS A 47 6.879 10.369 0.205 1.00 0.00 C ATOM 695 CG LYS A 47 5.964 11.288 1.019 1.00 0.00 C ATOM 696 CD LYS A 47 6.034 12.750 0.594 1.00 0.00 C ATOM 697 CE LYS A 47 7.454 13.291 0.602 1.00 0.00 C ATOM 698 NZ LYS A 47 7.489 14.755 0.409 1.00 0.00 N ATOM 0 H LYS A 47 4.871 8.667 1.037 1.00 0.00 H new ATOM 0 HA LYS A 47 7.661 8.362 0.132 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.894 10.764 0.236 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.561 10.388 -0.837 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.936 10.940 0.924 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.231 11.211 2.073 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.614 12.855 -0.407 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.416 13.349 1.263 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.933 13.038 1.548 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.031 12.807 -0.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.180 14.991 -0.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.547 15.090 0.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.764 15.216 1.300 1.00 0.00 H new ATOM 712 N PRO A 48 8.454 8.660 2.590 1.00 0.00 N ATOM 713 CA PRO A 48 8.829 8.787 3.984 1.00 0.00 C ATOM 714 C PRO A 48 8.852 10.270 4.352 1.00 0.00 C ATOM 715 O PRO A 48 9.593 11.058 3.735 1.00 0.00 O ATOM 716 CB PRO A 48 10.260 8.213 4.032 1.00 0.00 C ATOM 717 CG PRO A 48 10.458 7.527 2.723 1.00 0.00 C ATOM 718 CD PRO A 48 9.582 8.243 1.751 1.00 0.00 C ATOM 0 HA PRO A 48 8.150 8.280 4.669 1.00 0.00 H new ATOM 0 HB2 PRO A 48 10.996 9.004 4.176 1.00 0.00 H new ATOM 0 HB3 PRO A 48 10.376 7.516 4.862 1.00 0.00 H new ATOM 0 HG2 PRO A 48 11.502 7.570 2.413 1.00 0.00 H new ATOM 0 HG3 PRO A 48 10.188 6.473 2.789 1.00 0.00 H new ATOM 0 HD2 PRO A 48 10.089 9.096 1.299 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.263 7.593 0.936 1.00 0.00 H new ATOM 726 N GLU A 49 8.053 10.643 5.318 1.00 0.00 N ATOM 727 CA GLU A 49 7.942 12.016 5.752 1.00 0.00 C ATOM 728 C GLU A 49 7.174 12.022 7.045 1.00 0.00 C ATOM 729 O GLU A 49 6.052 11.533 7.107 1.00 0.00 O ATOM 730 CB GLU A 49 7.251 12.873 4.667 1.00 0.00 C ATOM 731 CG GLU A 49 7.150 14.355 4.980 1.00 0.00 C ATOM 732 CD GLU A 49 6.693 15.158 3.786 1.00 0.00 C ATOM 733 OE1 GLU A 49 7.557 15.602 2.985 1.00 0.00 O ATOM 734 OE2 GLU A 49 5.484 15.359 3.601 1.00 0.00 O ATOM 0 H GLU A 49 7.454 9.997 5.832 1.00 0.00 H new ATOM 0 HA GLU A 49 8.927 12.455 5.912 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.795 12.752 3.730 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.246 12.483 4.504 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.453 14.504 5.805 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.121 14.722 5.313 1.00 0.00 H new ATOM 741 N ASN A 50 7.779 12.540 8.072 1.00 0.00 N ATOM 742 CA ASN A 50 7.192 12.481 9.383 1.00 0.00 C ATOM 743 C ASN A 50 6.625 13.825 9.782 1.00 0.00 C ATOM 744 O ASN A 50 7.308 14.859 9.681 1.00 0.00 O ATOM 745 CB ASN A 50 8.231 12.021 10.408 1.00 0.00 C ATOM 746 CG ASN A 50 7.629 11.706 11.765 1.00 0.00 C ATOM 747 OD1 ASN A 50 7.481 12.574 12.614 1.00 0.00 O ATOM 748 ND2 ASN A 50 7.321 10.455 11.993 1.00 0.00 N ATOM 0 H ASN A 50 8.683 13.011 8.030 1.00 0.00 H new ATOM 0 HA ASN A 50 6.375 11.760 9.358 1.00 0.00 H new ATOM 0 HB2 ASN A 50 8.740 11.135 10.028 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.987 12.798 10.524 1.00 0.00 H new ATOM 0 HD21 ASN A 50 6.945 10.179 12.900 1.00 0.00 H new ATOM 0 HD22 ASN A 50 7.457 9.755 11.263 1.00 0.00 H new ATOM 755 N ALA A 51 5.389 13.814 10.200 1.00 0.00 N ATOM 756 CA ALA A 51 4.695 14.991 10.672 1.00 0.00 C ATOM 757 C ALA A 51 3.571 14.538 11.578 1.00 0.00 C ATOM 758 O ALA A 51 3.281 13.337 11.650 1.00 0.00 O ATOM 759 CB ALA A 51 4.172 15.830 9.516 1.00 0.00 C ATOM 0 H ALA A 51 4.819 12.969 10.224 1.00 0.00 H new ATOM 0 HA ALA A 51 5.384 15.629 11.226 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.656 16.707 9.907 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.006 16.149 8.891 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.479 15.236 8.920 1.00 0.00 H new ATOM 765 N THR A 52 2.942 15.443 12.265 1.00 0.00 N ATOM 766 CA THR A 52 1.941 15.067 13.222 1.00 0.00 C ATOM 767 C THR A 52 0.551 15.535 12.765 1.00 0.00 C ATOM 768 O THR A 52 0.343 16.704 12.530 1.00 0.00 O ATOM 769 CB THR A 52 2.308 15.693 14.571 1.00 0.00 C ATOM 770 OG1 THR A 52 3.742 15.618 14.713 1.00 0.00 O ATOM 771 CG2 THR A 52 1.684 14.912 15.703 1.00 0.00 C ATOM 0 H THR A 52 3.103 16.447 12.182 1.00 0.00 H new ATOM 0 HA THR A 52 1.905 13.982 13.315 1.00 0.00 H new ATOM 0 HB THR A 52 1.949 16.722 14.605 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.007 16.014 15.569 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.955 15.370 16.654 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.599 14.917 15.594 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.047 13.884 15.679 1.00 0.00 H new ATOM 779 N PHE A 53 -0.380 14.622 12.624 1.00 0.00 N ATOM 780 CA PHE A 53 -1.710 14.971 12.173 1.00 0.00 C ATOM 781 C PHE A 53 -2.638 15.163 13.352 1.00 0.00 C ATOM 782 O PHE A 53 -2.783 14.274 14.192 1.00 0.00 O ATOM 783 CB PHE A 53 -2.280 13.902 11.227 1.00 0.00 C ATOM 784 CG PHE A 53 -3.673 14.208 10.732 1.00 0.00 C ATOM 785 CD1 PHE A 53 -3.874 15.155 9.745 1.00 0.00 C ATOM 786 CD2 PHE A 53 -4.777 13.553 11.262 1.00 0.00 C ATOM 787 CE1 PHE A 53 -5.145 15.444 9.294 1.00 0.00 C ATOM 788 CE2 PHE A 53 -6.048 13.838 10.815 1.00 0.00 C ATOM 789 CZ PHE A 53 -6.233 14.786 9.830 1.00 0.00 C ATOM 0 H PHE A 53 -0.243 13.629 12.815 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.634 15.909 11.622 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.615 13.796 10.370 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.290 12.942 11.743 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.026 15.674 9.322 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.637 12.811 12.034 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.289 16.185 8.522 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.898 13.321 11.235 1.00 0.00 H new ATOM 0 HZ PHE A 53 -7.229 15.013 9.479 1.00 0.00 H new ATOM 799 N VAL A 54 -3.244 16.307 13.415 1.00 0.00 N ATOM 800 CA VAL A 54 -4.213 16.611 14.433 1.00 0.00 C ATOM 801 C VAL A 54 -5.566 16.690 13.754 1.00 0.00 C ATOM 802 O VAL A 54 -5.783 17.578 12.921 1.00 0.00 O ATOM 803 CB VAL A 54 -3.928 17.982 15.112 1.00 0.00 C ATOM 804 CG1 VAL A 54 -4.883 18.224 16.277 1.00 0.00 C ATOM 805 CG2 VAL A 54 -2.481 18.088 15.570 1.00 0.00 C ATOM 0 H VAL A 54 -3.081 17.068 12.756 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.175 15.840 15.202 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.097 18.758 14.365 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.662 19.189 16.734 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.910 18.222 15.912 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.760 17.435 17.019 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.318 19.058 16.039 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.268 17.297 16.289 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.819 17.985 14.710 1.00 0.00 H new ATOM 815 N ASN A 55 -6.452 15.762 14.047 1.00 0.00 N ATOM 816 CA ASN A 55 -7.776 15.805 13.439 1.00 0.00 C ATOM 817 C ASN A 55 -8.531 17.003 13.987 1.00 0.00 C ATOM 818 O ASN A 55 -8.484 17.275 15.204 1.00 0.00 O ATOM 819 CB ASN A 55 -8.560 14.507 13.658 1.00 0.00 C ATOM 820 CG ASN A 55 -9.885 14.524 12.913 1.00 0.00 C ATOM 821 OD1 ASN A 55 -10.022 15.184 11.893 1.00 0.00 O ATOM 822 ND2 ASN A 55 -10.847 13.800 13.390 1.00 0.00 N ATOM 0 H ASN A 55 -6.292 14.984 14.686 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.658 15.908 12.360 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -7.963 13.659 13.322 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -8.742 14.366 14.723 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -11.748 13.770 12.913 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -10.704 13.260 14.243 1.00 0.00 H new ATOM 829 N GLY A 56 -9.215 17.718 13.131 1.00 0.00 N ATOM 830 CA GLY A 56 -9.772 18.957 13.558 1.00 0.00 C ATOM 831 C GLY A 56 -11.245 19.108 13.356 1.00 0.00 C ATOM 832 O GLY A 56 -11.976 19.315 14.320 1.00 0.00 O ATOM 0 H GLY A 56 -9.392 17.465 12.159 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.554 19.086 14.618 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.266 19.764 13.028 1.00 0.00 H new ATOM 836 N ASN A 57 -11.703 18.978 12.137 1.00 0.00 N ATOM 837 CA ASN A 57 -13.084 19.328 11.854 1.00 0.00 C ATOM 838 C ASN A 57 -14.069 18.222 12.181 1.00 0.00 C ATOM 839 O ASN A 57 -15.022 18.443 12.914 1.00 0.00 O ATOM 840 CB ASN A 57 -13.283 19.794 10.416 1.00 0.00 C ATOM 841 CG ASN A 57 -14.692 20.343 10.197 1.00 0.00 C ATOM 842 OD1 ASN A 57 -15.300 20.910 11.109 1.00 0.00 O ATOM 843 ND2 ASN A 57 -15.217 20.182 9.015 1.00 0.00 N ATOM 0 H ASN A 57 -11.163 18.642 11.340 1.00 0.00 H new ATOM 0 HA ASN A 57 -13.298 20.162 12.522 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -12.550 20.564 10.177 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -13.105 18.962 9.735 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -16.157 20.529 8.823 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -14.688 19.709 8.282 1.00 0.00 H new ATOM 850 N GLN A 58 -13.854 17.045 11.663 1.00 0.00 N ATOM 851 CA GLN A 58 -14.822 15.985 11.851 1.00 0.00 C ATOM 852 C GLN A 58 -14.136 14.648 12.040 1.00 0.00 C ATOM 853 O GLN A 58 -12.988 14.498 11.632 1.00 0.00 O ATOM 854 CB GLN A 58 -15.879 15.991 10.689 1.00 0.00 C ATOM 855 CG GLN A 58 -15.354 15.848 9.241 1.00 0.00 C ATOM 856 CD GLN A 58 -15.062 14.414 8.802 1.00 0.00 C ATOM 857 OE1 GLN A 58 -13.852 13.971 8.962 1.00 0.00 O flip ATOM 858 NE2 GLN A 58 -15.944 13.717 8.291 1.00 0.00 N flip ATOM 0 H GLN A 58 -13.032 16.791 11.114 1.00 0.00 H new ATOM 0 HA GLN A 58 -15.377 16.166 12.772 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -16.584 15.180 10.872 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -16.442 16.923 10.752 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -16.088 16.279 8.560 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -14.442 16.436 9.141 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -16.887 14.090 8.177 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -15.730 12.769 7.983 1.00 0.00 H new ATOM 867 N PRO A 59 -14.789 13.683 12.719 1.00 0.00 N ATOM 868 CA PRO A 59 -14.249 12.329 12.889 1.00 0.00 C ATOM 869 C PRO A 59 -14.037 11.671 11.528 1.00 0.00 C ATOM 870 O PRO A 59 -14.919 11.716 10.664 1.00 0.00 O ATOM 871 CB PRO A 59 -15.345 11.594 13.673 1.00 0.00 C ATOM 872 CG PRO A 59 -16.130 12.672 14.328 1.00 0.00 C ATOM 873 CD PRO A 59 -16.096 13.832 13.388 1.00 0.00 C ATOM 0 HA PRO A 59 -13.285 12.316 13.397 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -15.971 10.995 13.011 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -14.916 10.914 14.409 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -17.155 12.351 14.515 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -15.698 12.938 15.293 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -16.920 13.797 12.675 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -16.172 14.782 13.917 1.00 0.00 H new ATOM 881 N ILE A 60 -12.894 11.080 11.331 1.00 0.00 N ATOM 882 CA ILE A 60 -12.553 10.527 10.042 1.00 0.00 C ATOM 883 C ILE A 60 -12.586 9.012 10.098 1.00 0.00 C ATOM 884 O ILE A 60 -11.866 8.407 10.888 1.00 0.00 O ATOM 885 CB ILE A 60 -11.124 10.955 9.600 1.00 0.00 C ATOM 886 CG1 ILE A 60 -10.936 12.472 9.714 1.00 0.00 C ATOM 887 CG2 ILE A 60 -10.873 10.509 8.162 1.00 0.00 C ATOM 888 CD1 ILE A 60 -9.537 12.945 9.377 1.00 0.00 C ATOM 0 H ILE A 60 -12.176 10.966 12.047 1.00 0.00 H new ATOM 0 HA ILE A 60 -13.284 10.904 9.327 1.00 0.00 H new ATOM 0 HB ILE A 60 -10.406 10.474 10.264 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -11.646 12.967 9.051 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -11.179 12.783 10.730 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -9.871 10.811 7.857 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -10.961 9.424 8.097 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -11.608 10.973 7.504 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -9.484 14.029 9.481 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -8.822 12.480 10.056 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -9.296 12.667 8.351 1.00 0.00 H new ATOM 900 N VAL A 61 -13.412 8.407 9.281 1.00 0.00 N ATOM 901 CA VAL A 61 -13.444 6.967 9.198 1.00 0.00 C ATOM 902 C VAL A 61 -12.271 6.476 8.324 1.00 0.00 C ATOM 903 O VAL A 61 -12.184 6.771 7.125 1.00 0.00 O ATOM 904 CB VAL A 61 -14.835 6.422 8.728 1.00 0.00 C ATOM 905 CG1 VAL A 61 -15.267 7.006 7.392 1.00 0.00 C ATOM 906 CG2 VAL A 61 -14.857 4.898 8.694 1.00 0.00 C ATOM 0 H VAL A 61 -14.069 8.887 8.666 1.00 0.00 H new ATOM 0 HA VAL A 61 -13.313 6.556 10.199 1.00 0.00 H new ATOM 0 HB VAL A 61 -15.563 6.752 9.469 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -16.237 6.595 7.112 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -15.342 8.090 7.476 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -14.532 6.752 6.629 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -15.838 4.556 8.363 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -14.095 4.538 8.003 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -14.654 4.509 9.692 1.00 0.00 H new ATOM 916 N THR A 62 -11.380 5.766 8.944 1.00 0.00 N ATOM 917 CA THR A 62 -10.152 5.339 8.351 1.00 0.00 C ATOM 918 C THR A 62 -10.303 3.983 7.651 1.00 0.00 C ATOM 919 O THR A 62 -11.408 3.406 7.605 1.00 0.00 O ATOM 920 CB THR A 62 -9.065 5.255 9.445 1.00 0.00 C ATOM 921 OG1 THR A 62 -9.503 4.382 10.496 1.00 0.00 O ATOM 922 CG2 THR A 62 -8.801 6.625 10.043 1.00 0.00 C ATOM 0 H THR A 62 -11.492 5.458 9.910 1.00 0.00 H new ATOM 0 HA THR A 62 -9.863 6.067 7.593 1.00 0.00 H new ATOM 0 HB THR A 62 -8.152 4.874 8.988 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.811 4.330 11.188 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.032 6.545 10.812 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.462 7.304 9.261 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.719 7.011 10.487 1.00 0.00 H new ATOM 930 N ARG A 63 -9.229 3.513 7.052 1.00 0.00 N ATOM 931 CA ARG A 63 -9.207 2.217 6.426 1.00 0.00 C ATOM 932 C ARG A 63 -8.197 1.337 7.114 1.00 0.00 C ATOM 933 O ARG A 63 -7.089 1.781 7.454 1.00 0.00 O ATOM 934 CB ARG A 63 -8.913 2.305 4.933 1.00 0.00 C ATOM 935 CG ARG A 63 -9.976 3.034 4.132 1.00 0.00 C ATOM 936 CD ARG A 63 -11.346 2.417 4.339 1.00 0.00 C ATOM 937 NE ARG A 63 -12.355 3.041 3.492 1.00 0.00 N ATOM 938 CZ ARG A 63 -13.144 4.052 3.853 1.00 0.00 C ATOM 939 NH1 ARG A 63 -13.028 4.617 5.066 1.00 0.00 N ATOM 940 NH2 ARG A 63 -14.053 4.488 3.000 1.00 0.00 N ATOM 0 H ARG A 63 -8.348 4.023 6.988 1.00 0.00 H new ATOM 0 HA ARG A 63 -10.200 1.779 6.529 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.957 2.810 4.791 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -8.803 1.296 4.536 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -10.000 4.083 4.426 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.719 3.006 3.073 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.300 1.350 4.123 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -11.636 2.519 5.385 1.00 0.00 H new ATOM 0 HE ARG A 63 -12.466 2.674 2.547 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -12.329 4.273 5.724 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -13.639 5.390 5.329 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -14.142 4.052 2.082 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -14.666 5.261 3.259 1.00 0.00 H new ATOM 954 N ILE A 64 -8.580 0.115 7.323 1.00 0.00 N ATOM 955 CA ILE A 64 -7.772 -0.835 8.037 1.00 0.00 C ATOM 956 C ILE A 64 -6.945 -1.692 7.073 1.00 0.00 C ATOM 957 O ILE A 64 -7.482 -2.289 6.134 1.00 0.00 O ATOM 958 CB ILE A 64 -8.674 -1.756 8.916 1.00 0.00 C ATOM 959 CG1 ILE A 64 -9.483 -0.909 9.924 1.00 0.00 C ATOM 960 CG2 ILE A 64 -7.844 -2.820 9.641 1.00 0.00 C ATOM 961 CD1 ILE A 64 -10.454 -1.707 10.776 1.00 0.00 C ATOM 0 H ILE A 64 -9.472 -0.259 7.000 1.00 0.00 H new ATOM 0 HA ILE A 64 -7.088 -0.279 8.678 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.371 -2.275 8.259 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -8.788 -0.385 10.580 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -10.039 -0.148 9.377 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -8.502 -3.445 10.245 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.326 -3.439 8.908 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -7.113 -2.334 10.286 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -10.979 -1.035 11.455 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -11.176 -2.209 10.132 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -9.905 -2.450 11.354 1.00 0.00 H new ATOM 973 N GLY A 65 -5.643 -1.677 7.270 1.00 0.00 N ATOM 974 CA GLY A 65 -4.712 -2.553 6.574 1.00 0.00 C ATOM 975 C GLY A 65 -4.347 -2.152 5.153 1.00 0.00 C ATOM 976 O GLY A 65 -3.307 -2.572 4.638 1.00 0.00 O ATOM 0 H GLY A 65 -5.190 -1.045 7.930 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.795 -2.612 7.160 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -5.139 -3.556 6.548 1.00 0.00 H new ATOM 980 N SER A 66 -5.168 -1.376 4.498 1.00 0.00 N ATOM 981 CA SER A 66 -4.903 -1.011 3.124 1.00 0.00 C ATOM 982 C SER A 66 -5.529 0.337 2.802 1.00 0.00 C ATOM 983 O SER A 66 -6.609 0.640 3.297 1.00 0.00 O ATOM 984 CB SER A 66 -5.501 -2.082 2.195 1.00 0.00 C ATOM 985 OG SER A 66 -5.011 -3.385 2.526 1.00 0.00 O ATOM 0 H SER A 66 -6.025 -0.983 4.888 1.00 0.00 H new ATOM 0 HA SER A 66 -3.825 -0.943 2.976 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.588 -2.069 2.273 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.252 -1.849 1.160 1.00 0.00 H new ATOM 0 HG SER A 66 -4.137 -3.523 2.104 1.00 0.00 H new ATOM 991 N PRO A 67 -4.848 1.194 2.028 1.00 0.00 N ATOM 992 CA PRO A 67 -5.450 2.409 1.564 1.00 0.00 C ATOM 993 C PRO A 67 -6.151 2.186 0.214 1.00 0.00 C ATOM 994 O PRO A 67 -5.516 1.841 -0.789 1.00 0.00 O ATOM 995 CB PRO A 67 -4.260 3.361 1.404 1.00 0.00 C ATOM 996 CG PRO A 67 -3.039 2.486 1.291 1.00 0.00 C ATOM 997 CD PRO A 67 -3.458 1.064 1.585 1.00 0.00 C ATOM 0 HA PRO A 67 -6.213 2.792 2.242 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -4.376 3.985 0.518 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -4.181 4.033 2.259 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -2.609 2.558 0.292 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -2.271 2.810 1.993 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.377 0.432 0.700 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -2.833 0.614 2.356 1.00 0.00 H new ATOM 1005 N PHE A 68 -7.435 2.411 0.221 1.00 0.00 N ATOM 1006 CA PHE A 68 -8.363 2.305 -0.902 1.00 0.00 C ATOM 1007 C PHE A 68 -9.626 2.934 -0.394 1.00 0.00 C ATOM 1008 O PHE A 68 -9.752 3.127 0.816 1.00 0.00 O ATOM 1009 CB PHE A 68 -8.732 0.836 -1.292 1.00 0.00 C ATOM 1010 CG PHE A 68 -7.654 -0.047 -1.860 1.00 0.00 C ATOM 1011 CD1 PHE A 68 -7.331 0.014 -3.203 1.00 0.00 C ATOM 1012 CD2 PHE A 68 -6.987 -0.959 -1.056 1.00 0.00 C ATOM 1013 CE1 PHE A 68 -6.360 -0.810 -3.734 1.00 0.00 C ATOM 1014 CE2 PHE A 68 -6.019 -1.789 -1.585 1.00 0.00 C ATOM 1015 CZ PHE A 68 -5.704 -1.713 -2.924 1.00 0.00 C ATOM 0 H PHE A 68 -7.912 2.698 1.076 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.909 2.763 -1.781 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -9.128 0.346 -0.402 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -9.543 0.879 -2.019 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.845 0.715 -3.844 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.227 -1.021 -0.005 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.114 -0.748 -4.784 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.509 -2.498 -0.949 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.945 -2.359 -3.339 1.00 0.00 H new ATOM 1025 N LEU A 69 -10.557 3.219 -1.252 1.00 0.00 N ATOM 1026 CA LEU A 69 -11.838 3.735 -0.805 1.00 0.00 C ATOM 1027 C LEU A 69 -12.680 2.574 -0.299 1.00 0.00 C ATOM 1028 O LEU A 69 -13.372 2.683 0.712 1.00 0.00 O ATOM 1029 CB LEU A 69 -12.599 4.499 -1.923 1.00 0.00 C ATOM 1030 CG LEU A 69 -12.038 5.867 -2.398 1.00 0.00 C ATOM 1031 CD1 LEU A 69 -11.901 6.842 -1.249 1.00 0.00 C ATOM 1032 CD2 LEU A 69 -10.728 5.726 -3.146 1.00 0.00 C ATOM 0 H LEU A 69 -10.466 3.108 -2.262 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.653 4.455 -0.007 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.656 3.844 -2.792 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.620 4.661 -1.578 1.00 0.00 H new ATOM 0 HG LEU A 69 -12.767 6.272 -3.100 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.506 7.788 -1.620 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.878 7.010 -0.796 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.220 6.432 -0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.378 6.711 -3.456 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.985 5.266 -2.495 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.877 5.100 -4.026 1.00 0.00 H new ATOM 1044 N ASN A 70 -12.533 1.440 -0.969 1.00 0.00 N ATOM 1045 CA ASN A 70 -13.290 0.221 -0.665 1.00 0.00 C ATOM 1046 C ASN A 70 -12.494 -0.716 0.243 1.00 0.00 C ATOM 1047 O ASN A 70 -12.773 -1.917 0.320 1.00 0.00 O ATOM 1048 CB ASN A 70 -13.674 -0.532 -1.954 1.00 0.00 C ATOM 1049 CG ASN A 70 -12.478 -1.028 -2.766 1.00 0.00 C ATOM 1050 OD1 ASN A 70 -11.422 -0.388 -2.819 1.00 0.00 O ATOM 1051 ND2 ASN A 70 -12.619 -2.171 -3.377 1.00 0.00 N ATOM 0 H ASN A 70 -11.881 1.333 -1.746 1.00 0.00 H new ATOM 0 HA ASN A 70 -14.197 0.533 -0.147 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -14.300 -1.385 -1.691 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -14.277 0.125 -2.580 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -11.846 -2.560 -3.917 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -13.503 -2.677 -3.315 1.00 0.00 H new ATOM 1058 N ALA A 71 -11.514 -0.176 0.922 1.00 0.00 N ATOM 1059 CA ALA A 71 -10.743 -0.949 1.879 1.00 0.00 C ATOM 1060 C ALA A 71 -11.595 -1.152 3.133 1.00 0.00 C ATOM 1061 O ALA A 71 -12.526 -0.373 3.354 1.00 0.00 O ATOM 1062 CB ALA A 71 -9.461 -0.217 2.227 1.00 0.00 C ATOM 0 H ALA A 71 -11.226 0.798 0.834 1.00 0.00 H new ATOM 0 HA ALA A 71 -10.477 -1.916 1.452 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.890 -0.805 2.945 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.868 -0.072 1.324 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.702 0.753 2.662 1.00 0.00 H new ATOM 1068 N PRO A 72 -11.320 -2.207 3.938 1.00 0.00 N ATOM 1069 CA PRO A 72 -12.068 -2.501 5.174 1.00 0.00 C ATOM 1070 C PRO A 72 -12.256 -1.284 6.089 1.00 0.00 C ATOM 1071 O PRO A 72 -11.278 -0.618 6.507 1.00 0.00 O ATOM 1072 CB PRO A 72 -11.210 -3.561 5.856 1.00 0.00 C ATOM 1073 CG PRO A 72 -10.599 -4.289 4.721 1.00 0.00 C ATOM 1074 CD PRO A 72 -10.282 -3.234 3.696 1.00 0.00 C ATOM 0 HA PRO A 72 -13.086 -2.821 4.953 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -10.453 -3.113 6.500 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.810 -4.222 6.482 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -9.698 -4.818 5.032 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -11.284 -5.035 4.318 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -9.278 -2.831 3.829 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -10.335 -3.629 2.681 1.00 0.00 H new ATOM 1082 N VAL A 73 -13.502 -1.006 6.377 1.00 0.00 N ATOM 1083 CA VAL A 73 -13.911 0.095 7.217 1.00 0.00 C ATOM 1084 C VAL A 73 -14.084 -0.382 8.649 1.00 0.00 C ATOM 1085 O VAL A 73 -13.955 -1.580 8.932 1.00 0.00 O ATOM 1086 CB VAL A 73 -15.230 0.774 6.723 1.00 0.00 C ATOM 1087 CG1 VAL A 73 -15.052 1.345 5.329 1.00 0.00 C ATOM 1088 CG2 VAL A 73 -16.412 -0.193 6.752 1.00 0.00 C ATOM 0 H VAL A 73 -14.285 -1.555 6.023 1.00 0.00 H new ATOM 0 HA VAL A 73 -13.123 0.846 7.164 1.00 0.00 H new ATOM 0 HB VAL A 73 -15.451 1.589 7.412 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -15.982 1.812 5.006 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -14.256 2.090 5.340 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -14.790 0.544 4.638 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -17.309 0.318 6.401 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -16.202 -1.044 6.104 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -16.570 -0.544 7.772 1.00 0.00 H new ATOM 1098 N GLY A 74 -14.345 0.537 9.546 1.00 0.00 N ATOM 1099 CA GLY A 74 -14.536 0.169 10.924 1.00 0.00 C ATOM 1100 C GLY A 74 -13.535 0.813 11.847 1.00 0.00 C ATOM 1101 O GLY A 74 -13.423 0.434 13.013 1.00 0.00 O ATOM 0 H GLY A 74 -14.429 1.534 9.349 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -15.542 0.451 11.234 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -14.465 -0.915 11.019 1.00 0.00 H new ATOM 1105 N GLY A 75 -12.803 1.766 11.336 1.00 0.00 N ATOM 1106 CA GLY A 75 -11.898 2.526 12.152 1.00 0.00 C ATOM 1107 C GLY A 75 -12.295 3.970 12.097 1.00 0.00 C ATOM 1108 O GLY A 75 -12.553 4.481 11.021 1.00 0.00 O ATOM 0 H GLY A 75 -12.817 2.035 10.352 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.924 2.166 13.181 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.875 2.402 11.797 1.00 0.00 H new ATOM 1112 N ASN A 76 -12.423 4.610 13.218 1.00 0.00 N ATOM 1113 CA ASN A 76 -12.815 6.008 13.226 1.00 0.00 C ATOM 1114 C ASN A 76 -11.848 6.824 14.060 1.00 0.00 C ATOM 1115 O ASN A 76 -11.518 6.449 15.184 1.00 0.00 O ATOM 1116 CB ASN A 76 -14.265 6.176 13.723 1.00 0.00 C ATOM 1117 CG ASN A 76 -14.775 7.617 13.651 1.00 0.00 C ATOM 1118 OD1 ASN A 76 -14.344 8.412 12.819 1.00 0.00 O ATOM 1119 ND2 ASN A 76 -15.734 7.941 14.472 1.00 0.00 N ATOM 0 H ASN A 76 -12.266 4.201 14.139 1.00 0.00 H new ATOM 0 HA ASN A 76 -12.777 6.380 12.202 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -14.920 5.538 13.130 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -14.329 5.828 14.754 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -16.145 8.874 14.433 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -16.073 7.262 15.153 1.00 0.00 H new ATOM 1126 N LEU A 77 -11.376 7.900 13.503 1.00 0.00 N ATOM 1127 CA LEU A 77 -10.466 8.787 14.171 1.00 0.00 C ATOM 1128 C LEU A 77 -11.249 9.998 14.679 1.00 0.00 C ATOM 1129 O LEU A 77 -11.728 10.808 13.877 1.00 0.00 O ATOM 1130 CB LEU A 77 -9.365 9.240 13.196 1.00 0.00 C ATOM 1131 CG LEU A 77 -8.248 10.108 13.784 1.00 0.00 C ATOM 1132 CD1 LEU A 77 -7.443 9.324 14.809 1.00 0.00 C ATOM 1133 CD2 LEU A 77 -7.344 10.636 12.682 1.00 0.00 C ATOM 0 H LEU A 77 -11.616 8.192 12.556 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.995 8.274 15.010 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.912 8.352 12.756 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.835 9.793 12.383 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.706 10.959 14.288 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.655 9.958 15.215 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.100 9.000 15.616 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.997 8.452 14.331 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.557 11.250 13.120 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.896 9.799 12.147 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -7.930 11.238 11.988 1.00 0.00 H new ATOM 1145 N PRO A 78 -11.417 10.129 16.005 1.00 0.00 N ATOM 1146 CA PRO A 78 -12.186 11.226 16.598 1.00 0.00 C ATOM 1147 C PRO A 78 -11.488 12.584 16.441 1.00 0.00 C ATOM 1148 O PRO A 78 -10.305 12.663 16.063 1.00 0.00 O ATOM 1149 CB PRO A 78 -12.294 10.838 18.076 1.00 0.00 C ATOM 1150 CG PRO A 78 -11.131 9.946 18.327 1.00 0.00 C ATOM 1151 CD PRO A 78 -10.860 9.226 17.036 1.00 0.00 C ATOM 0 HA PRO A 78 -13.153 11.351 16.111 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -12.262 11.718 18.718 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -13.235 10.327 18.282 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -10.260 10.522 18.640 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -11.350 9.239 19.127 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -9.793 9.059 16.887 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -11.342 8.249 17.014 1.00 0.00 H new ATOM 1159 N ALA A 79 -12.213 13.643 16.699 1.00 0.00 N ATOM 1160 CA ALA A 79 -11.673 14.984 16.571 1.00 0.00 C ATOM 1161 C ALA A 79 -10.747 15.300 17.741 1.00 0.00 C ATOM 1162 O ALA A 79 -10.996 14.877 18.872 1.00 0.00 O ATOM 1163 CB ALA A 79 -12.790 16.003 16.471 1.00 0.00 C ATOM 0 H ALA A 79 -13.186 13.607 17.002 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.089 15.036 15.652 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.364 17.002 16.376 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.404 15.785 15.597 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -13.407 15.956 17.368 1.00 0.00 H new ATOM 1169 N GLY A 80 -9.661 15.987 17.457 1.00 0.00 N ATOM 1170 CA GLY A 80 -8.706 16.347 18.483 1.00 0.00 C ATOM 1171 C GLY A 80 -7.564 15.356 18.560 1.00 0.00 C ATOM 1172 O GLY A 80 -6.453 15.705 18.998 1.00 0.00 O ATOM 0 H GLY A 80 -9.417 16.308 16.520 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.311 17.342 18.279 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.210 16.396 19.448 1.00 0.00 H new ATOM 1176 N ALA A 81 -7.826 14.138 18.097 1.00 0.00 N ATOM 1177 CA ALA A 81 -6.857 13.065 18.119 1.00 0.00 C ATOM 1178 C ALA A 81 -5.655 13.422 17.277 1.00 0.00 C ATOM 1179 O ALA A 81 -5.787 13.851 16.117 1.00 0.00 O ATOM 1180 CB ALA A 81 -7.483 11.768 17.638 1.00 0.00 C ATOM 0 H ALA A 81 -8.725 13.873 17.695 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.526 12.921 19.147 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.737 10.973 17.662 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.317 11.503 18.288 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.845 11.895 16.618 1.00 0.00 H new ATOM 1186 N THR A 82 -4.512 13.293 17.868 1.00 0.00 N ATOM 1187 CA THR A 82 -3.287 13.613 17.234 1.00 0.00 C ATOM 1188 C THR A 82 -2.487 12.332 16.997 1.00 0.00 C ATOM 1189 O THR A 82 -2.200 11.581 17.937 1.00 0.00 O ATOM 1190 CB THR A 82 -2.516 14.589 18.124 1.00 0.00 C ATOM 1191 OG1 THR A 82 -3.364 15.719 18.415 1.00 0.00 O ATOM 1192 CG2 THR A 82 -1.255 15.069 17.448 1.00 0.00 C ATOM 0 H THR A 82 -4.408 12.955 18.825 1.00 0.00 H new ATOM 0 HA THR A 82 -3.466 14.084 16.267 1.00 0.00 H new ATOM 0 HB THR A 82 -2.232 14.075 19.042 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.881 16.352 18.987 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.730 15.761 18.106 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.612 14.216 17.230 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.511 15.577 16.518 1.00 0.00 H new ATOM 1200 N ILE A 83 -2.171 12.074 15.754 1.00 0.00 N ATOM 1201 CA ILE A 83 -1.447 10.886 15.360 1.00 0.00 C ATOM 1202 C ILE A 83 -0.221 11.308 14.558 1.00 0.00 C ATOM 1203 O ILE A 83 -0.338 12.103 13.628 1.00 0.00 O ATOM 1204 CB ILE A 83 -2.321 9.963 14.448 1.00 0.00 C ATOM 1205 CG1 ILE A 83 -3.658 9.567 15.122 1.00 0.00 C ATOM 1206 CG2 ILE A 83 -1.546 8.718 14.030 1.00 0.00 C ATOM 1207 CD1 ILE A 83 -3.517 8.754 16.398 1.00 0.00 C ATOM 0 H ILE A 83 -2.411 12.688 14.976 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.172 10.338 16.261 1.00 0.00 H new ATOM 0 HB ILE A 83 -2.565 10.541 13.556 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.217 10.475 15.347 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.252 8.996 14.409 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.176 8.093 13.397 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.654 9.013 13.477 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.253 8.157 14.917 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.506 8.526 16.795 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -2.990 7.825 16.181 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.954 9.327 17.134 1.00 0.00 H new ATOM 1219 N VAL A 84 0.938 10.826 14.922 1.00 0.00 N ATOM 1220 CA VAL A 84 2.114 11.114 14.147 1.00 0.00 C ATOM 1221 C VAL A 84 2.203 10.129 12.987 1.00 0.00 C ATOM 1222 O VAL A 84 1.988 8.929 13.157 1.00 0.00 O ATOM 1223 CB VAL A 84 3.435 11.114 14.997 1.00 0.00 C ATOM 1224 CG1 VAL A 84 3.738 9.754 15.619 1.00 0.00 C ATOM 1225 CG2 VAL A 84 4.617 11.602 14.172 1.00 0.00 C ATOM 0 H VAL A 84 1.092 10.238 15.741 1.00 0.00 H new ATOM 0 HA VAL A 84 2.016 12.130 13.764 1.00 0.00 H new ATOM 0 HB VAL A 84 3.271 11.809 15.820 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.662 9.815 16.194 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.919 9.464 16.277 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.850 9.010 14.830 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.518 11.592 14.785 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.756 10.947 13.312 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.425 12.618 13.827 1.00 0.00 H new ATOM 1235 N TYR A 85 2.459 10.628 11.824 1.00 0.00 N ATOM 1236 CA TYR A 85 2.584 9.790 10.676 1.00 0.00 C ATOM 1237 C TYR A 85 3.985 9.880 10.147 1.00 0.00 C ATOM 1238 O TYR A 85 4.581 10.959 10.133 1.00 0.00 O ATOM 1239 CB TYR A 85 1.535 10.125 9.590 1.00 0.00 C ATOM 1240 CG TYR A 85 1.557 11.554 9.057 1.00 0.00 C ATOM 1241 CD1 TYR A 85 2.382 11.913 8.002 1.00 0.00 C ATOM 1242 CD2 TYR A 85 0.727 12.530 9.594 1.00 0.00 C ATOM 1243 CE1 TYR A 85 2.383 13.198 7.503 1.00 0.00 C ATOM 1244 CE2 TYR A 85 0.727 13.820 9.096 1.00 0.00 C ATOM 1245 CZ TYR A 85 1.558 14.144 8.050 1.00 0.00 C ATOM 1246 OH TYR A 85 1.558 15.425 7.543 1.00 0.00 O ATOM 0 H TYR A 85 2.587 11.623 11.641 1.00 0.00 H new ATOM 0 HA TYR A 85 2.384 8.761 10.974 1.00 0.00 H new ATOM 0 HB2 TYR A 85 1.679 9.443 8.752 1.00 0.00 H new ATOM 0 HB3 TYR A 85 0.544 9.925 9.997 1.00 0.00 H new ATOM 0 HD1 TYR A 85 3.035 11.173 7.564 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.071 12.277 10.414 1.00 0.00 H new ATOM 0 HE1 TYR A 85 3.034 13.458 6.681 1.00 0.00 H new ATOM 0 HE2 TYR A 85 0.078 14.568 9.526 1.00 0.00 H new ATOM 0 HH TYR A 85 1.015 15.454 6.728 1.00 0.00 H new ATOM 1256 N ASP A 86 4.526 8.759 9.779 1.00 0.00 N ATOM 1257 CA ASP A 86 5.882 8.705 9.246 1.00 0.00 C ATOM 1258 C ASP A 86 5.835 8.344 7.772 1.00 0.00 C ATOM 1259 O ASP A 86 6.823 8.470 7.026 1.00 0.00 O ATOM 1260 CB ASP A 86 6.698 7.679 10.041 1.00 0.00 C ATOM 1261 CG ASP A 86 8.145 7.618 9.631 1.00 0.00 C ATOM 1262 OD1 ASP A 86 8.843 8.644 9.740 1.00 0.00 O ATOM 1263 OD2 ASP A 86 8.634 6.529 9.257 1.00 0.00 O ATOM 0 H ASP A 86 4.057 7.855 9.833 1.00 0.00 H new ATOM 0 HA ASP A 86 6.362 9.679 9.343 1.00 0.00 H new ATOM 0 HB2 ASP A 86 6.639 7.922 11.102 1.00 0.00 H new ATOM 0 HB3 ASP A 86 6.250 6.693 9.914 1.00 0.00 H new ATOM 1268 N GLU A 87 4.665 7.953 7.349 1.00 0.00 N ATOM 1269 CA GLU A 87 4.438 7.513 6.015 1.00 0.00 C ATOM 1270 C GLU A 87 3.298 8.322 5.410 1.00 0.00 C ATOM 1271 O GLU A 87 2.174 8.324 5.941 1.00 0.00 O ATOM 1272 CB GLU A 87 4.082 6.027 6.076 1.00 0.00 C ATOM 1273 CG GLU A 87 3.816 5.355 4.753 1.00 0.00 C ATOM 1274 CD GLU A 87 3.506 3.898 4.942 1.00 0.00 C ATOM 1275 OE1 GLU A 87 4.445 3.074 4.979 1.00 0.00 O ATOM 1276 OE2 GLU A 87 2.328 3.527 5.098 1.00 0.00 O ATOM 0 H GLU A 87 3.833 7.934 7.938 1.00 0.00 H new ATOM 0 HA GLU A 87 5.321 7.654 5.392 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.897 5.499 6.572 1.00 0.00 H new ATOM 0 HB3 GLU A 87 3.198 5.911 6.704 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.981 5.846 4.253 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.685 5.464 4.104 1.00 0.00 H new ATOM 1283 N VAL A 88 3.585 9.019 4.333 1.00 0.00 N ATOM 1284 CA VAL A 88 2.578 9.795 3.626 1.00 0.00 C ATOM 1285 C VAL A 88 2.260 9.060 2.352 1.00 0.00 C ATOM 1286 O VAL A 88 3.167 8.669 1.638 1.00 0.00 O ATOM 1287 CB VAL A 88 3.078 11.219 3.272 1.00 0.00 C ATOM 1288 CG1 VAL A 88 1.974 12.036 2.616 1.00 0.00 C ATOM 1289 CG2 VAL A 88 3.606 11.930 4.499 1.00 0.00 C ATOM 0 H VAL A 88 4.517 9.067 3.920 1.00 0.00 H new ATOM 0 HA VAL A 88 1.704 9.907 4.267 1.00 0.00 H new ATOM 0 HB VAL A 88 3.897 11.116 2.560 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.350 13.031 2.378 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.650 11.541 1.700 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.130 12.122 3.300 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.950 12.927 4.222 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.812 12.013 5.241 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.437 11.363 4.919 1.00 0.00 H new ATOM 1299 N CYS A 89 1.008 8.856 2.075 1.00 0.00 N ATOM 1300 CA CYS A 89 0.605 8.063 0.946 1.00 0.00 C ATOM 1301 C CYS A 89 -0.419 8.787 0.076 1.00 0.00 C ATOM 1302 O CYS A 89 -1.131 9.656 0.542 1.00 0.00 O ATOM 1303 CB CYS A 89 -0.009 6.773 1.466 1.00 0.00 C ATOM 1304 SG CYS A 89 1.065 5.819 2.544 1.00 0.00 S ATOM 0 H CYS A 89 0.235 9.233 2.623 1.00 0.00 H new ATOM 0 HA CYS A 89 1.483 7.867 0.330 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -0.925 7.013 2.006 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -0.294 6.153 0.616 1.00 0.00 H new ATOM 0 HG CYS A 89 1.097 4.583 2.142 1.00 0.00 H new ATOM 1310 N ILE A 90 -0.448 8.448 -1.186 1.00 0.00 N ATOM 1311 CA ILE A 90 -1.465 8.911 -2.098 1.00 0.00 C ATOM 1312 C ILE A 90 -2.126 7.705 -2.754 1.00 0.00 C ATOM 1313 O ILE A 90 -1.465 6.904 -3.432 1.00 0.00 O ATOM 1314 CB ILE A 90 -0.930 9.881 -3.216 1.00 0.00 C ATOM 1315 CG1 ILE A 90 -0.413 11.200 -2.612 1.00 0.00 C ATOM 1316 CG2 ILE A 90 -2.023 10.172 -4.261 1.00 0.00 C ATOM 1317 CD1 ILE A 90 0.102 12.198 -3.645 1.00 0.00 C ATOM 0 H ILE A 90 0.243 7.834 -1.617 1.00 0.00 H new ATOM 0 HA ILE A 90 -2.176 9.488 -1.507 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.097 9.381 -3.710 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.217 11.666 -2.042 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.389 10.975 -1.908 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.628 10.845 -5.023 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.337 9.239 -4.728 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.878 10.639 -3.773 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.448 13.100 -3.139 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.928 11.754 -4.200 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.702 12.455 -4.335 1.00 0.00 H new ATOM 1329 N GLN A 91 -3.393 7.560 -2.499 1.00 0.00 N ATOM 1330 CA GLN A 91 -4.217 6.558 -3.119 1.00 0.00 C ATOM 1331 C GLN A 91 -5.337 7.328 -3.741 1.00 0.00 C ATOM 1332 O GLN A 91 -6.008 8.089 -3.032 1.00 0.00 O ATOM 1333 CB GLN A 91 -4.740 5.524 -2.089 1.00 0.00 C ATOM 1334 CG GLN A 91 -5.772 4.532 -2.636 1.00 0.00 C ATOM 1335 CD GLN A 91 -5.231 3.654 -3.756 1.00 0.00 C ATOM 1336 OE1 GLN A 91 -5.292 4.027 -4.935 1.00 0.00 O ATOM 1337 NE2 GLN A 91 -4.756 2.481 -3.413 1.00 0.00 N ATOM 0 H GLN A 91 -3.897 8.150 -1.837 1.00 0.00 H new ATOM 0 HA GLN A 91 -3.663 5.970 -3.851 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -3.892 4.963 -1.696 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -5.183 6.061 -1.250 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -6.121 3.896 -1.822 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -6.637 5.084 -3.003 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -4.723 2.212 -2.430 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -4.419 1.838 -4.129 1.00 0.00 H new ATOM 1346 N ALA A 92 -5.555 7.106 -5.025 1.00 0.00 N ATOM 1347 CA ALA A 92 -6.435 7.929 -5.845 1.00 0.00 C ATOM 1348 C ALA A 92 -7.788 8.156 -5.200 1.00 0.00 C ATOM 1349 O ALA A 92 -8.572 7.215 -5.008 1.00 0.00 O ATOM 1350 CB ALA A 92 -6.591 7.309 -7.219 1.00 0.00 C ATOM 0 H ALA A 92 -5.121 6.338 -5.538 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.969 8.910 -5.942 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.250 7.930 -7.826 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.615 7.239 -7.699 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.020 6.312 -7.122 1.00 0.00 H new ATOM 1356 N GLY A 93 -8.027 9.408 -4.842 1.00 0.00 N ATOM 1357 CA GLY A 93 -9.222 9.796 -4.155 1.00 0.00 C ATOM 1358 C GLY A 93 -8.917 10.665 -2.946 1.00 0.00 C ATOM 1359 O GLY A 93 -9.662 11.595 -2.632 1.00 0.00 O ATOM 0 H GLY A 93 -7.385 10.179 -5.027 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.875 10.339 -4.838 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.764 8.906 -3.836 1.00 0.00 H new ATOM 1363 N HIS A 94 -7.813 10.377 -2.267 1.00 0.00 N ATOM 1364 CA HIS A 94 -7.415 11.110 -1.049 1.00 0.00 C ATOM 1365 C HIS A 94 -5.918 11.038 -0.861 1.00 0.00 C ATOM 1366 O HIS A 94 -5.231 10.266 -1.540 1.00 0.00 O ATOM 1367 CB HIS A 94 -8.071 10.514 0.243 1.00 0.00 C ATOM 1368 CG HIS A 94 -9.546 10.745 0.417 1.00 0.00 C ATOM 1369 ND1 HIS A 94 -10.493 9.741 0.350 1.00 0.00 N ATOM 1370 CD2 HIS A 94 -10.233 11.871 0.681 1.00 0.00 C ATOM 1371 CE1 HIS A 94 -11.686 10.260 0.549 1.00 0.00 C ATOM 1372 NE2 HIS A 94 -11.551 11.544 0.751 1.00 0.00 N ATOM 0 H HIS A 94 -7.166 9.636 -2.534 1.00 0.00 H new ATOM 0 HA HIS A 94 -7.751 12.138 -1.187 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -7.891 9.439 0.251 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -7.557 10.930 1.109 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -10.299 8.755 0.174 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -9.813 12.857 0.814 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -12.619 9.716 0.546 1.00 0.00 H new ATOM 1381 N ILE A 95 -5.416 11.837 0.042 1.00 0.00 N ATOM 1382 CA ILE A 95 -4.065 11.689 0.489 1.00 0.00 C ATOM 1383 C ILE A 95 -4.198 10.910 1.787 1.00 0.00 C ATOM 1384 O ILE A 95 -5.165 11.105 2.515 1.00 0.00 O ATOM 1385 CB ILE A 95 -3.313 13.062 0.688 1.00 0.00 C ATOM 1386 CG1 ILE A 95 -1.829 12.827 1.033 1.00 0.00 C ATOM 1387 CG2 ILE A 95 -3.978 13.930 1.752 1.00 0.00 C ATOM 1388 CD1 ILE A 95 -1.009 14.100 1.153 1.00 0.00 C ATOM 0 H ILE A 95 -5.929 12.600 0.482 1.00 0.00 H new ATOM 0 HA ILE A 95 -3.449 11.178 -0.251 1.00 0.00 H new ATOM 0 HB ILE A 95 -3.373 13.601 -0.257 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -1.768 12.279 1.973 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -1.385 12.193 0.265 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -3.427 14.865 1.855 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -5.005 14.145 1.457 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -3.978 13.401 2.705 1.00 0.00 H new ATOM 0 HD11 ILE A 95 0.023 13.847 1.397 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -1.036 14.640 0.207 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.425 14.728 1.941 1.00 0.00 H new ATOM 1400 N TRP A 96 -3.329 10.005 2.039 1.00 0.00 N ATOM 1401 CA TRP A 96 -3.493 9.124 3.161 1.00 0.00 C ATOM 1402 C TRP A 96 -2.285 9.173 4.040 1.00 0.00 C ATOM 1403 O TRP A 96 -1.172 9.408 3.570 1.00 0.00 O ATOM 1404 CB TRP A 96 -3.711 7.669 2.679 1.00 0.00 C ATOM 1405 CG TRP A 96 -4.892 7.482 1.768 1.00 0.00 C ATOM 1406 CD1 TRP A 96 -4.975 7.851 0.467 1.00 0.00 C ATOM 1407 CD2 TRP A 96 -6.134 6.857 2.083 1.00 0.00 C ATOM 1408 NE1 TRP A 96 -6.200 7.530 -0.048 1.00 0.00 N ATOM 1409 CE2 TRP A 96 -6.932 6.909 0.921 1.00 0.00 C ATOM 1410 CE3 TRP A 96 -6.654 6.266 3.229 1.00 0.00 C ATOM 1411 CZ2 TRP A 96 -8.219 6.391 0.880 1.00 0.00 C ATOM 1412 CZ3 TRP A 96 -7.926 5.752 3.187 1.00 0.00 C ATOM 1413 CH2 TRP A 96 -8.697 5.817 2.021 1.00 0.00 C ATOM 0 H TRP A 96 -2.487 9.844 1.487 1.00 0.00 H new ATOM 0 HA TRP A 96 -4.366 9.452 3.725 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -2.813 7.333 2.161 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -3.836 7.026 3.550 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -4.183 8.332 -0.087 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -6.514 7.723 -0.999 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -6.068 6.212 4.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -8.817 6.440 -0.018 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -8.340 5.289 4.071 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -9.694 5.403 2.025 1.00 0.00 H new ATOM 1424 N ILE A 97 -2.490 8.998 5.301 1.00 0.00 N ATOM 1425 CA ILE A 97 -1.388 8.876 6.201 1.00 0.00 C ATOM 1426 C ILE A 97 -1.340 7.448 6.699 1.00 0.00 C ATOM 1427 O ILE A 97 -2.381 6.868 7.070 1.00 0.00 O ATOM 1428 CB ILE A 97 -1.420 9.885 7.390 1.00 0.00 C ATOM 1429 CG1 ILE A 97 -2.658 9.687 8.274 1.00 0.00 C ATOM 1430 CG2 ILE A 97 -1.369 11.316 6.855 1.00 0.00 C ATOM 1431 CD1 ILE A 97 -2.649 10.506 9.552 1.00 0.00 C ATOM 0 H ILE A 97 -3.411 8.936 5.735 1.00 0.00 H new ATOM 0 HA ILE A 97 -0.481 9.128 5.651 1.00 0.00 H new ATOM 0 HB ILE A 97 -0.545 9.699 8.013 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -3.547 9.944 7.698 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.740 8.631 8.533 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -1.392 12.017 7.689 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -0.451 11.459 6.285 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -2.228 11.494 6.208 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -3.559 10.307 10.118 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -1.781 10.233 10.153 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -2.600 11.566 9.304 1.00 0.00 H new ATOM 1443 N GLY A 98 -0.179 6.865 6.644 1.00 0.00 N ATOM 1444 CA GLY A 98 -0.027 5.511 7.059 1.00 0.00 C ATOM 1445 C GLY A 98 0.594 5.425 8.412 1.00 0.00 C ATOM 1446 O GLY A 98 1.698 5.930 8.627 1.00 0.00 O ATOM 0 H GLY A 98 0.677 7.312 6.314 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.001 5.021 7.072 1.00 0.00 H new ATOM 0 HA3 GLY A 98 0.591 4.975 6.338 1.00 0.00 H new ATOM 1450 N TYR A 99 -0.101 4.816 9.332 1.00 0.00 N ATOM 1451 CA TYR A 99 0.413 4.656 10.660 1.00 0.00 C ATOM 1452 C TYR A 99 0.068 3.293 11.204 1.00 0.00 C ATOM 1453 O TYR A 99 -0.756 2.576 10.642 1.00 0.00 O ATOM 1454 CB TYR A 99 -0.063 5.786 11.603 1.00 0.00 C ATOM 1455 CG TYR A 99 -1.569 5.956 11.746 1.00 0.00 C ATOM 1456 CD1 TYR A 99 -2.283 6.760 10.865 1.00 0.00 C ATOM 1457 CD2 TYR A 99 -2.267 5.349 12.788 1.00 0.00 C ATOM 1458 CE1 TYR A 99 -3.641 6.955 11.012 1.00 0.00 C ATOM 1459 CE2 TYR A 99 -3.630 5.534 12.937 1.00 0.00 C ATOM 1460 CZ TYR A 99 -4.311 6.342 12.048 1.00 0.00 C ATOM 1461 OH TYR A 99 -5.670 6.544 12.202 1.00 0.00 O ATOM 0 H TYR A 99 -1.030 4.421 9.183 1.00 0.00 H new ATOM 0 HA TYR A 99 1.499 4.731 10.607 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.356 5.605 12.593 1.00 0.00 H new ATOM 0 HB3 TYR A 99 0.355 6.728 11.247 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -1.764 7.242 10.049 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -1.736 4.724 13.491 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -4.177 7.586 10.318 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -4.159 5.049 13.744 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.990 6.040 12.979 1.00 0.00 H new ATOM 1471 N ASN A 100 0.729 2.919 12.240 1.00 0.00 N ATOM 1472 CA ASN A 100 0.506 1.658 12.893 1.00 0.00 C ATOM 1473 C ASN A 100 0.110 1.930 14.329 1.00 0.00 C ATOM 1474 O ASN A 100 0.792 2.680 15.033 1.00 0.00 O ATOM 1475 CB ASN A 100 1.787 0.830 12.802 1.00 0.00 C ATOM 1476 CG ASN A 100 1.749 -0.492 13.530 1.00 0.00 C ATOM 1477 OD1 ASN A 100 0.709 -1.107 13.702 1.00 0.00 O ATOM 1478 ND2 ASN A 100 2.899 -0.954 13.922 1.00 0.00 N ATOM 0 H ASN A 100 1.458 3.485 12.675 1.00 0.00 H new ATOM 0 HA ASN A 100 -0.296 1.094 12.417 1.00 0.00 H new ATOM 0 HB2 ASN A 100 2.006 0.642 11.751 1.00 0.00 H new ATOM 0 HB3 ASN A 100 2.612 1.422 13.198 1.00 0.00 H new ATOM 0 HD21 ASN A 100 2.952 -1.859 14.390 1.00 0.00 H new ATOM 0 HD22 ASN A 100 3.748 -0.412 13.761 1.00 0.00 H new ATOM 1485 N ALA A 101 -0.995 1.371 14.747 1.00 0.00 N ATOM 1486 CA ALA A 101 -1.519 1.608 16.073 1.00 0.00 C ATOM 1487 C ALA A 101 -0.878 0.682 17.109 1.00 0.00 C ATOM 1488 O ALA A 101 -0.148 -0.258 16.762 1.00 0.00 O ATOM 1489 CB ALA A 101 -3.035 1.475 16.077 1.00 0.00 C ATOM 0 H ALA A 101 -1.560 0.738 14.180 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.263 2.629 16.356 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -3.414 1.656 17.083 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.466 2.204 15.390 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.313 0.470 15.761 1.00 0.00 H new ATOM 1495 N TYR A 102 -1.186 0.941 18.377 1.00 0.00 N ATOM 1496 CA TYR A 102 -0.627 0.213 19.531 1.00 0.00 C ATOM 1497 C TYR A 102 -0.956 -1.283 19.499 1.00 0.00 C ATOM 1498 O TYR A 102 -0.229 -2.098 20.045 1.00 0.00 O ATOM 1499 CB TYR A 102 -1.131 0.842 20.856 1.00 0.00 C ATOM 1500 CG TYR A 102 -2.637 0.716 21.095 1.00 0.00 C ATOM 1501 CD1 TYR A 102 -3.543 1.573 20.478 1.00 0.00 C ATOM 1502 CD2 TYR A 102 -3.144 -0.274 21.930 1.00 0.00 C ATOM 1503 CE1 TYR A 102 -4.905 1.446 20.690 1.00 0.00 C ATOM 1504 CE2 TYR A 102 -4.498 -0.408 22.141 1.00 0.00 C ATOM 1505 CZ TYR A 102 -5.374 0.453 21.521 1.00 0.00 C ATOM 1506 OH TYR A 102 -6.725 0.313 21.728 1.00 0.00 O ATOM 0 H TYR A 102 -1.842 1.675 18.645 1.00 0.00 H new ATOM 0 HA TYR A 102 0.458 0.304 19.471 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -0.605 0.373 21.687 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -0.863 1.899 20.865 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -3.178 2.350 19.823 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -2.462 -0.951 22.423 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -5.595 2.121 20.207 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -4.871 -1.186 22.791 1.00 0.00 H new ATOM 0 HH TYR A 102 -6.886 -0.436 22.340 1.00 0.00 H new ATOM 1516 N ASN A 103 -2.037 -1.624 18.848 1.00 0.00 N ATOM 1517 CA ASN A 103 -2.498 -3.004 18.773 1.00 0.00 C ATOM 1518 C ASN A 103 -1.959 -3.698 17.534 1.00 0.00 C ATOM 1519 O ASN A 103 -2.234 -4.875 17.303 1.00 0.00 O ATOM 1520 CB ASN A 103 -4.038 -3.075 18.802 1.00 0.00 C ATOM 1521 CG ASN A 103 -4.707 -2.349 17.639 1.00 0.00 C ATOM 1522 OD1 ASN A 103 -4.173 -1.376 17.101 1.00 0.00 O ATOM 1523 ND2 ASN A 103 -5.861 -2.804 17.249 1.00 0.00 N ATOM 0 H ASN A 103 -2.630 -0.959 18.351 1.00 0.00 H new ATOM 0 HA ASN A 103 -2.113 -3.526 19.649 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -4.345 -4.121 18.791 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -4.395 -2.648 19.739 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -6.352 -2.354 16.477 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -6.275 -3.611 17.716 1.00 0.00 H new ATOM 1530 N GLY A 104 -1.199 -2.974 16.742 1.00 0.00 N ATOM 1531 CA GLY A 104 -0.614 -3.549 15.554 1.00 0.00 C ATOM 1532 C GLY A 104 -1.485 -3.368 14.337 1.00 0.00 C ATOM 1533 O GLY A 104 -1.228 -3.962 13.286 1.00 0.00 O ATOM 0 H GLY A 104 -0.973 -1.992 16.899 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.358 -3.090 15.373 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.439 -4.612 15.717 1.00 0.00 H new ATOM 1537 N ASN A 105 -2.526 -2.565 14.471 1.00 0.00 N ATOM 1538 CA ASN A 105 -3.416 -2.290 13.355 1.00 0.00 C ATOM 1539 C ASN A 105 -2.748 -1.267 12.451 1.00 0.00 C ATOM 1540 O ASN A 105 -2.371 -0.176 12.901 1.00 0.00 O ATOM 1541 CB ASN A 105 -4.781 -1.764 13.849 1.00 0.00 C ATOM 1542 CG ASN A 105 -5.850 -1.641 12.746 1.00 0.00 C ATOM 1543 OD1 ASN A 105 -5.556 -1.435 11.579 1.00 0.00 O ATOM 1544 ND2 ASN A 105 -7.101 -1.749 13.127 1.00 0.00 N ATOM 0 H ASN A 105 -2.776 -2.092 15.340 1.00 0.00 H new ATOM 0 HA ASN A 105 -3.603 -3.212 12.804 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -5.154 -2.430 14.627 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -4.636 -0.786 14.309 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -7.852 -1.661 12.442 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -7.322 -1.921 14.108 1.00 0.00 H new ATOM 1551 N ARG A 106 -2.570 -1.628 11.213 1.00 0.00 N ATOM 1552 CA ARG A 106 -1.948 -0.767 10.239 1.00 0.00 C ATOM 1553 C ARG A 106 -3.047 0.085 9.617 1.00 0.00 C ATOM 1554 O ARG A 106 -3.766 -0.362 8.741 1.00 0.00 O ATOM 1555 CB ARG A 106 -1.245 -1.639 9.190 1.00 0.00 C ATOM 1556 CG ARG A 106 -0.365 -0.915 8.181 1.00 0.00 C ATOM 1557 CD ARG A 106 0.751 -0.126 8.857 1.00 0.00 C ATOM 1558 NE ARG A 106 1.898 0.042 7.957 1.00 0.00 N ATOM 1559 CZ ARG A 106 2.218 1.132 7.249 1.00 0.00 C ATOM 1560 NH1 ARG A 106 1.489 2.237 7.323 1.00 0.00 N ATOM 1561 NH2 ARG A 106 3.287 1.102 6.456 1.00 0.00 N ATOM 0 H ARG A 106 -2.854 -2.536 10.844 1.00 0.00 H new ATOM 0 HA ARG A 106 -1.199 -0.114 10.687 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -0.631 -2.373 9.713 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -2.007 -2.193 8.642 1.00 0.00 H new ATOM 0 HG2 ARG A 106 0.069 -1.640 7.493 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -0.978 -0.238 7.586 1.00 0.00 H new ATOM 0 HD2 ARG A 106 0.377 0.852 9.161 1.00 0.00 H new ATOM 0 HD3 ARG A 106 1.068 -0.642 9.763 1.00 0.00 H new ATOM 0 HE ARG A 106 2.520 -0.761 7.860 1.00 0.00 H new ATOM 0 HH11 ARG A 106 0.668 2.267 7.927 1.00 0.00 H new ATOM 0 HH12 ARG A 106 1.749 3.057 6.776 1.00 0.00 H new ATOM 0 HH21 ARG A 106 3.852 0.255 6.393 1.00 0.00 H new ATOM 0 HH22 ARG A 106 3.541 1.926 5.911 1.00 0.00 H new ATOM 1575 N VAL A 107 -3.187 1.282 10.095 1.00 0.00 N ATOM 1576 CA VAL A 107 -4.307 2.106 9.719 1.00 0.00 C ATOM 1577 C VAL A 107 -3.889 3.174 8.721 1.00 0.00 C ATOM 1578 O VAL A 107 -2.794 3.758 8.824 1.00 0.00 O ATOM 1579 CB VAL A 107 -4.943 2.802 10.960 1.00 0.00 C ATOM 1580 CG1 VAL A 107 -6.259 3.470 10.605 1.00 0.00 C ATOM 1581 CG2 VAL A 107 -5.137 1.834 12.114 1.00 0.00 C ATOM 0 H VAL A 107 -2.539 1.718 10.751 1.00 0.00 H new ATOM 0 HA VAL A 107 -5.044 1.446 9.261 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.242 3.572 11.283 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -6.676 3.946 11.492 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -6.089 4.223 9.835 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -6.958 2.721 10.232 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -5.583 2.359 12.959 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.796 1.024 11.802 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.172 1.423 12.410 1.00 0.00 H new ATOM 1591 N TYR A 108 -4.740 3.403 7.755 1.00 0.00 N ATOM 1592 CA TYR A 108 -4.561 4.449 6.794 1.00 0.00 C ATOM 1593 C TYR A 108 -5.712 5.422 6.906 1.00 0.00 C ATOM 1594 O TYR A 108 -6.885 5.036 6.810 1.00 0.00 O ATOM 1595 CB TYR A 108 -4.441 3.891 5.372 1.00 0.00 C ATOM 1596 CG TYR A 108 -3.104 3.242 5.087 1.00 0.00 C ATOM 1597 CD1 TYR A 108 -2.850 1.912 5.408 1.00 0.00 C ATOM 1598 CD2 TYR A 108 -2.087 3.978 4.499 1.00 0.00 C ATOM 1599 CE1 TYR A 108 -1.617 1.342 5.145 1.00 0.00 C ATOM 1600 CE2 TYR A 108 -0.858 3.418 4.236 1.00 0.00 C ATOM 1601 CZ TYR A 108 -0.622 2.103 4.559 1.00 0.00 C ATOM 1602 OH TYR A 108 0.622 1.553 4.304 1.00 0.00 O ATOM 0 H TYR A 108 -5.590 2.856 7.616 1.00 0.00 H new ATOM 0 HA TYR A 108 -3.627 4.970 7.005 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -5.233 3.159 5.210 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -4.603 4.699 4.659 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -3.625 1.317 5.868 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -2.263 5.012 4.242 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -1.433 0.308 5.396 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -0.080 4.010 3.777 1.00 0.00 H new ATOM 0 HH TYR A 108 1.313 2.237 4.426 1.00 0.00 H new ATOM 1612 N CYS A 109 -5.393 6.658 7.155 1.00 0.00 N ATOM 1613 CA CYS A 109 -6.405 7.674 7.316 1.00 0.00 C ATOM 1614 C CYS A 109 -6.466 8.535 6.058 1.00 0.00 C ATOM 1615 O CYS A 109 -5.429 8.994 5.580 1.00 0.00 O ATOM 1616 CB CYS A 109 -6.119 8.521 8.564 1.00 0.00 C ATOM 1617 SG CYS A 109 -7.378 9.765 8.946 1.00 0.00 S ATOM 0 H CYS A 109 -4.435 6.994 7.253 1.00 0.00 H new ATOM 0 HA CYS A 109 -7.377 7.202 7.457 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -6.015 7.855 9.421 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -5.161 9.023 8.432 1.00 0.00 H new ATOM 0 HG CYS A 109 -7.034 10.416 10.017 1.00 0.00 H new ATOM 1623 N PRO A 110 -7.687 8.740 5.493 1.00 0.00 N ATOM 1624 CA PRO A 110 -7.885 9.500 4.244 1.00 0.00 C ATOM 1625 C PRO A 110 -7.731 11.021 4.383 1.00 0.00 C ATOM 1626 O PRO A 110 -7.905 11.719 3.401 1.00 0.00 O ATOM 1627 CB PRO A 110 -9.309 9.140 3.830 1.00 0.00 C ATOM 1628 CG PRO A 110 -10.004 8.804 5.101 1.00 0.00 C ATOM 1629 CD PRO A 110 -8.966 8.196 6.004 1.00 0.00 C ATOM 0 HA PRO A 110 -7.119 9.237 3.514 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -9.795 9.973 3.322 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -9.318 8.297 3.140 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -10.439 9.695 5.554 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -10.822 8.106 4.924 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -9.130 8.473 7.045 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -8.984 7.107 5.957 1.00 0.00 H new ATOM 1637 N VAL A 111 -7.493 11.482 5.639 1.00 0.00 N ATOM 1638 CA VAL A 111 -7.141 12.892 6.091 1.00 0.00 C ATOM 1639 C VAL A 111 -7.655 14.130 5.278 1.00 0.00 C ATOM 1640 O VAL A 111 -8.229 15.066 5.857 1.00 0.00 O ATOM 1641 CB VAL A 111 -5.626 13.050 6.408 1.00 0.00 C ATOM 1642 CG1 VAL A 111 -5.241 12.165 7.561 1.00 0.00 C ATOM 1643 CG2 VAL A 111 -4.764 12.730 5.203 1.00 0.00 C ATOM 0 H VAL A 111 -7.541 10.846 6.435 1.00 0.00 H new ATOM 0 HA VAL A 111 -7.752 12.944 6.992 1.00 0.00 H new ATOM 0 HB VAL A 111 -5.454 14.092 6.676 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.179 12.285 7.773 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -5.820 12.442 8.442 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -5.445 11.125 7.305 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -3.713 12.852 5.465 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -4.943 11.701 4.890 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -5.015 13.406 4.386 1.00 0.00 H new ATOM 1653 N ARG A 112 -7.418 14.151 3.997 1.00 0.00 N ATOM 1654 CA ARG A 112 -7.756 15.248 3.142 1.00 0.00 C ATOM 1655 C ARG A 112 -7.883 14.747 1.710 1.00 0.00 C ATOM 1656 O ARG A 112 -7.136 13.859 1.283 1.00 0.00 O ATOM 1657 CB ARG A 112 -6.666 16.329 3.252 1.00 0.00 C ATOM 1658 CG ARG A 112 -6.810 17.494 2.291 1.00 0.00 C ATOM 1659 CD ARG A 112 -5.704 18.511 2.470 1.00 0.00 C ATOM 1660 NE ARG A 112 -6.046 19.783 1.823 1.00 0.00 N ATOM 1661 CZ ARG A 112 -5.326 20.909 1.883 1.00 0.00 C ATOM 1662 NH1 ARG A 112 -4.157 20.931 2.516 1.00 0.00 N ATOM 1663 NH2 ARG A 112 -5.784 22.011 1.307 1.00 0.00 N ATOM 0 H ARG A 112 -6.969 13.378 3.505 1.00 0.00 H new ATOM 0 HA ARG A 112 -8.709 15.683 3.443 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -6.664 16.717 4.270 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -5.695 15.861 3.087 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -6.800 17.123 1.266 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -7.775 17.976 2.446 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -5.526 18.676 3.533 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -4.777 18.123 2.048 1.00 0.00 H new ATOM 0 HE ARG A 112 -6.909 19.811 1.280 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -3.802 20.085 2.961 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -3.615 21.794 2.556 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -6.681 21.998 0.821 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -5.240 22.873 1.349 1.00 0.00 H new ATOM 1677 N THR A 113 -8.836 15.269 0.990 1.00 0.00 N ATOM 1678 CA THR A 113 -9.019 14.907 -0.387 1.00 0.00 C ATOM 1679 C THR A 113 -7.896 15.506 -1.246 1.00 0.00 C ATOM 1680 O THR A 113 -7.520 16.681 -1.075 1.00 0.00 O ATOM 1681 CB THR A 113 -10.409 15.366 -0.868 1.00 0.00 C ATOM 1682 OG1 THR A 113 -11.400 14.867 0.056 1.00 0.00 O ATOM 1683 CG2 THR A 113 -10.715 14.818 -2.254 1.00 0.00 C ATOM 0 H THR A 113 -9.505 15.955 1.340 1.00 0.00 H new ATOM 0 HA THR A 113 -8.969 13.823 -0.488 1.00 0.00 H new ATOM 0 HB THR A 113 -10.425 16.455 -0.913 1.00 0.00 H new ATOM 0 HG1 THR A 113 -12.291 15.152 -0.235 1.00 0.00 H new ATOM 0 HG21 THR A 113 -11.702 15.157 -2.570 1.00 0.00 H new ATOM 0 HG22 THR A 113 -9.966 15.175 -2.960 1.00 0.00 H new ATOM 0 HG23 THR A 113 -10.697 13.728 -2.227 1.00 0.00 H new ATOM 1691 N CYS A 114 -7.315 14.679 -2.089 1.00 0.00 N ATOM 1692 CA CYS A 114 -6.268 15.067 -2.994 1.00 0.00 C ATOM 1693 C CYS A 114 -6.319 14.184 -4.212 1.00 0.00 C ATOM 1694 O CYS A 114 -6.655 13.003 -4.108 1.00 0.00 O ATOM 1695 CB CYS A 114 -4.872 14.980 -2.337 1.00 0.00 C ATOM 1696 SG CYS A 114 -4.588 16.175 -1.008 1.00 0.00 S ATOM 0 H CYS A 114 -7.569 13.694 -2.161 1.00 0.00 H new ATOM 0 HA CYS A 114 -6.429 16.108 -3.274 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -4.734 13.975 -1.939 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -4.113 15.125 -3.106 1.00 0.00 H new ATOM 0 HG CYS A 114 -5.720 16.704 -0.651 1.00 0.00 H new ATOM 1702 N GLN A 115 -6.035 14.761 -5.339 1.00 0.00 N ATOM 1703 CA GLN A 115 -6.009 14.063 -6.595 1.00 0.00 C ATOM 1704 C GLN A 115 -4.748 14.480 -7.322 1.00 0.00 C ATOM 1705 O GLN A 115 -4.412 15.659 -7.326 1.00 0.00 O ATOM 1706 CB GLN A 115 -7.267 14.434 -7.399 1.00 0.00 C ATOM 1707 CG GLN A 115 -7.367 13.809 -8.787 1.00 0.00 C ATOM 1708 CD GLN A 115 -8.681 14.124 -9.489 1.00 0.00 C ATOM 1709 OE1 GLN A 115 -9.750 14.259 -8.736 1.00 0.00 O flip ATOM 1710 NE2 GLN A 115 -8.732 14.216 -10.712 1.00 0.00 N flip ATOM 0 H GLN A 115 -5.809 15.753 -5.417 1.00 0.00 H new ATOM 0 HA GLN A 115 -6.006 12.982 -6.456 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -8.145 14.140 -6.823 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -7.303 15.518 -7.504 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -6.539 14.166 -9.400 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -7.258 12.728 -8.701 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -7.884 14.106 -11.268 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -9.623 14.402 -11.173 1.00 0.00 H new ATOM 1719 N GLY A 116 -4.022 13.543 -7.867 1.00 0.00 N ATOM 1720 CA GLY A 116 -2.821 13.888 -8.576 1.00 0.00 C ATOM 1721 C GLY A 116 -1.855 12.750 -8.632 1.00 0.00 C ATOM 1722 O GLY A 116 -2.177 11.632 -8.209 1.00 0.00 O ATOM 0 H GLY A 116 -4.237 12.546 -7.835 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -3.075 14.197 -9.590 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -2.347 14.742 -8.092 1.00 0.00 H new ATOM 1726 N VAL A 117 -0.679 13.024 -9.126 1.00 0.00 N ATOM 1727 CA VAL A 117 0.362 12.036 -9.269 1.00 0.00 C ATOM 1728 C VAL A 117 1.630 12.596 -8.655 1.00 0.00 C ATOM 1729 O VAL A 117 1.804 13.810 -8.644 1.00 0.00 O ATOM 1730 CB VAL A 117 0.619 11.634 -10.766 1.00 0.00 C ATOM 1731 CG1 VAL A 117 -0.594 10.929 -11.363 1.00 0.00 C ATOM 1732 CG2 VAL A 117 0.990 12.849 -11.616 1.00 0.00 C ATOM 0 H VAL A 117 -0.410 13.954 -9.447 1.00 0.00 H new ATOM 0 HA VAL A 117 0.045 11.127 -8.758 1.00 0.00 H new ATOM 0 HB VAL A 117 1.461 10.942 -10.772 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -0.387 10.663 -12.399 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -0.807 10.025 -10.792 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -1.457 11.594 -11.325 1.00 0.00 H new ATOM 0 HG21 VAL A 117 1.161 12.534 -12.646 1.00 0.00 H new ATOM 0 HG22 VAL A 117 0.177 13.574 -11.588 1.00 0.00 H new ATOM 0 HG23 VAL A 117 1.897 13.306 -11.221 1.00 0.00 H new ATOM 1742 N PRO A 118 2.498 11.745 -8.090 1.00 0.00 N ATOM 1743 CA PRO A 118 3.744 12.185 -7.460 1.00 0.00 C ATOM 1744 C PRO A 118 4.594 13.100 -8.370 1.00 0.00 C ATOM 1745 O PRO A 118 4.807 12.794 -9.551 1.00 0.00 O ATOM 1746 CB PRO A 118 4.490 10.879 -7.200 1.00 0.00 C ATOM 1747 CG PRO A 118 3.420 9.870 -7.047 1.00 0.00 C ATOM 1748 CD PRO A 118 2.330 10.278 -7.994 1.00 0.00 C ATOM 0 HA PRO A 118 3.547 12.778 -6.567 1.00 0.00 H new ATOM 0 HB2 PRO A 118 5.156 10.630 -8.026 1.00 0.00 H new ATOM 0 HB3 PRO A 118 5.106 10.945 -6.303 1.00 0.00 H new ATOM 0 HG2 PRO A 118 3.788 8.872 -7.283 1.00 0.00 H new ATOM 0 HG3 PRO A 118 3.055 9.841 -6.020 1.00 0.00 H new ATOM 0 HD2 PRO A 118 2.439 9.796 -8.965 1.00 0.00 H new ATOM 0 HD3 PRO A 118 1.344 10.009 -7.614 1.00 0.00 H new ATOM 1756 N PRO A 119 5.076 14.245 -7.854 1.00 0.00 N ATOM 1757 CA PRO A 119 4.801 14.732 -6.502 1.00 0.00 C ATOM 1758 C PRO A 119 3.709 15.823 -6.463 1.00 0.00 C ATOM 1759 O PRO A 119 3.475 16.433 -5.419 1.00 0.00 O ATOM 1760 CB PRO A 119 6.160 15.365 -6.112 1.00 0.00 C ATOM 1761 CG PRO A 119 6.990 15.364 -7.374 1.00 0.00 C ATOM 1762 CD PRO A 119 6.032 15.113 -8.502 1.00 0.00 C ATOM 0 HA PRO A 119 4.438 13.940 -5.847 1.00 0.00 H new ATOM 0 HB2 PRO A 119 6.025 16.378 -5.733 1.00 0.00 H new ATOM 0 HB3 PRO A 119 6.647 14.792 -5.323 1.00 0.00 H new ATOM 0 HG2 PRO A 119 7.503 16.317 -7.503 1.00 0.00 H new ATOM 0 HG3 PRO A 119 7.757 14.591 -7.335 1.00 0.00 H new ATOM 0 HD2 PRO A 119 5.574 16.032 -8.868 1.00 0.00 H new ATOM 0 HD3 PRO A 119 6.513 14.635 -9.355 1.00 0.00 H new ATOM 1770 N ASN A 120 3.023 16.036 -7.570 1.00 0.00 N ATOM 1771 CA ASN A 120 2.051 17.125 -7.659 1.00 0.00 C ATOM 1772 C ASN A 120 0.645 16.665 -7.317 1.00 0.00 C ATOM 1773 O ASN A 120 -0.036 16.009 -8.111 1.00 0.00 O ATOM 1774 CB ASN A 120 2.074 17.800 -9.040 1.00 0.00 C ATOM 1775 CG ASN A 120 3.381 18.519 -9.333 1.00 0.00 C ATOM 1776 OD1 ASN A 120 4.073 19.001 -8.427 1.00 0.00 O ATOM 1777 ND2 ASN A 120 3.735 18.610 -10.580 1.00 0.00 N ATOM 0 H ASN A 120 3.115 15.477 -8.418 1.00 0.00 H new ATOM 0 HA ASN A 120 2.350 17.864 -6.916 1.00 0.00 H new ATOM 0 HB2 ASN A 120 1.901 17.047 -9.808 1.00 0.00 H new ATOM 0 HB3 ASN A 120 1.252 18.513 -9.102 1.00 0.00 H new ATOM 0 HD21 ASN A 120 4.601 19.087 -10.831 1.00 0.00 H new ATOM 0 HD22 ASN A 120 3.147 18.204 -11.308 1.00 0.00 H new ATOM 1784 N HIS A 121 0.231 16.986 -6.124 1.00 0.00 N ATOM 1785 CA HIS A 121 -1.089 16.654 -5.644 1.00 0.00 C ATOM 1786 C HIS A 121 -1.973 17.894 -5.643 1.00 0.00 C ATOM 1787 O HIS A 121 -1.511 18.980 -5.289 1.00 0.00 O ATOM 1788 CB HIS A 121 -1.030 16.008 -4.226 1.00 0.00 C ATOM 1789 CG HIS A 121 -0.492 16.894 -3.110 1.00 0.00 C ATOM 1790 ND1 HIS A 121 0.834 16.929 -2.735 1.00 0.00 N ATOM 1791 CD2 HIS A 121 -1.129 17.755 -2.275 1.00 0.00 C ATOM 1792 CE1 HIS A 121 0.984 17.763 -1.729 1.00 0.00 C ATOM 1793 NE2 HIS A 121 -0.187 18.274 -1.431 1.00 0.00 N ATOM 0 H HIS A 121 0.803 17.491 -5.447 1.00 0.00 H new ATOM 0 HA HIS A 121 -1.524 15.917 -6.319 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -2.035 15.685 -3.954 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -0.411 15.112 -4.282 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -2.184 17.987 -2.277 1.00 0.00 H new ATOM 0 HE1 HIS A 121 1.915 17.989 -1.231 1.00 0.00 H new ATOM 0 HE2 HIS A 121 -0.366 18.950 -0.689 1.00 0.00 H new ATOM 1802 N ILE A 122 -3.203 17.749 -6.054 1.00 0.00 N ATOM 1803 CA ILE A 122 -4.172 18.825 -5.971 1.00 0.00 C ATOM 1804 C ILE A 122 -4.911 18.664 -4.643 1.00 0.00 C ATOM 1805 O ILE A 122 -5.625 17.676 -4.453 1.00 0.00 O ATOM 1806 CB ILE A 122 -5.191 18.767 -7.146 1.00 0.00 C ATOM 1807 CG1 ILE A 122 -4.450 18.821 -8.496 1.00 0.00 C ATOM 1808 CG2 ILE A 122 -6.198 19.919 -7.037 1.00 0.00 C ATOM 1809 CD1 ILE A 122 -5.348 18.658 -9.710 1.00 0.00 C ATOM 0 H ILE A 122 -3.569 16.886 -6.456 1.00 0.00 H new ATOM 0 HA ILE A 122 -3.661 19.786 -6.033 1.00 0.00 H new ATOM 0 HB ILE A 122 -5.738 17.826 -7.089 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -3.926 19.774 -8.572 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -3.692 18.038 -8.512 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -6.904 19.865 -7.866 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -6.739 19.841 -6.094 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -5.668 20.871 -7.074 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -4.746 18.708 -10.617 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -5.853 17.693 -9.662 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -6.091 19.456 -9.723 1.00 0.00 H new ATOM 1821 N PRO A 123 -4.686 19.572 -3.686 1.00 0.00 N ATOM 1822 CA PRO A 123 -5.289 19.488 -2.371 1.00 0.00 C ATOM 1823 C PRO A 123 -6.707 20.090 -2.293 1.00 0.00 C ATOM 1824 O PRO A 123 -6.941 21.252 -2.664 1.00 0.00 O ATOM 1825 CB PRO A 123 -4.313 20.277 -1.501 1.00 0.00 C ATOM 1826 CG PRO A 123 -3.748 21.321 -2.409 1.00 0.00 C ATOM 1827 CD PRO A 123 -3.811 20.762 -3.812 1.00 0.00 C ATOM 0 HA PRO A 123 -5.435 18.453 -2.063 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -4.820 20.728 -0.647 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -3.529 19.633 -1.103 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -4.319 22.247 -2.336 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -2.720 21.558 -2.133 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -4.223 21.488 -4.513 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -2.821 20.492 -4.179 1.00 0.00 H new ATOM 1835 N GLY A 124 -7.632 19.298 -1.815 1.00 0.00 N ATOM 1836 CA GLY A 124 -8.982 19.746 -1.612 1.00 0.00 C ATOM 1837 C GLY A 124 -9.240 20.026 -0.144 1.00 0.00 C ATOM 1838 O GLY A 124 -8.357 20.551 0.553 1.00 0.00 O ATOM 0 H GLY A 124 -7.469 18.325 -1.556 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -9.163 20.648 -2.196 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -9.679 18.989 -1.971 1.00 0.00 H new ATOM 1842 N VAL A 125 -10.394 19.627 0.336 1.00 0.00 N ATOM 1843 CA VAL A 125 -10.813 19.877 1.718 1.00 0.00 C ATOM 1844 C VAL A 125 -10.064 18.979 2.712 1.00 0.00 C ATOM 1845 O VAL A 125 -9.974 17.755 2.528 1.00 0.00 O ATOM 1846 CB VAL A 125 -12.351 19.688 1.884 1.00 0.00 C ATOM 1847 CG1 VAL A 125 -12.800 19.974 3.315 1.00 0.00 C ATOM 1848 CG2 VAL A 125 -13.103 20.582 0.909 1.00 0.00 C ATOM 0 H VAL A 125 -11.082 19.115 -0.216 1.00 0.00 H new ATOM 0 HA VAL A 125 -10.561 20.914 1.941 1.00 0.00 H new ATOM 0 HB VAL A 125 -12.582 18.646 1.663 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -13.878 19.832 3.393 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -12.294 19.292 3.998 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -12.549 21.002 3.576 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -14.176 20.439 1.037 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -12.851 21.625 1.102 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -12.822 20.324 -0.112 1.00 0.00 H new ATOM 1858 N ALA A 126 -9.484 19.607 3.717 1.00 0.00 N ATOM 1859 CA ALA A 126 -8.777 18.930 4.783 1.00 0.00 C ATOM 1860 C ALA A 126 -9.699 18.695 5.949 1.00 0.00 C ATOM 1861 O ALA A 126 -10.536 19.553 6.264 1.00 0.00 O ATOM 1862 CB ALA A 126 -7.583 19.753 5.239 1.00 0.00 C ATOM 0 H ALA A 126 -9.492 20.622 3.816 1.00 0.00 H new ATOM 0 HA ALA A 126 -8.422 17.972 4.403 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -7.064 19.228 6.041 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -6.901 19.901 4.401 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -7.926 20.722 5.602 1.00 0.00 H new ATOM 1868 N TRP A 127 -9.574 17.560 6.591 1.00 0.00 N ATOM 1869 CA TRP A 127 -10.394 17.305 7.767 1.00 0.00 C ATOM 1870 C TRP A 127 -9.623 17.562 9.055 1.00 0.00 C ATOM 1871 O TRP A 127 -10.199 17.559 10.157 1.00 0.00 O ATOM 1872 CB TRP A 127 -10.994 15.899 7.752 1.00 0.00 C ATOM 1873 CG TRP A 127 -11.913 15.664 6.594 1.00 0.00 C ATOM 1874 CD1 TRP A 127 -12.960 16.447 6.221 1.00 0.00 C ATOM 1875 CD2 TRP A 127 -11.892 14.563 5.682 1.00 0.00 C ATOM 1876 NE1 TRP A 127 -13.574 15.923 5.117 1.00 0.00 N ATOM 1877 CE2 TRP A 127 -12.942 14.763 4.766 1.00 0.00 C ATOM 1878 CE3 TRP A 127 -11.085 13.433 5.542 1.00 0.00 C ATOM 1879 CZ2 TRP A 127 -13.205 13.878 3.731 1.00 0.00 C ATOM 1880 CZ3 TRP A 127 -11.348 12.556 4.514 1.00 0.00 C ATOM 1881 CH2 TRP A 127 -12.399 12.783 3.621 1.00 0.00 C ATOM 0 H TRP A 127 -8.932 16.810 6.334 1.00 0.00 H new ATOM 0 HA TRP A 127 -11.224 18.011 7.732 1.00 0.00 H new ATOM 0 HB2 TRP A 127 -10.187 15.167 7.722 1.00 0.00 H new ATOM 0 HB3 TRP A 127 -11.540 15.734 8.681 1.00 0.00 H new ATOM 0 HD1 TRP A 127 -13.263 17.353 6.724 1.00 0.00 H new ATOM 0 HE1 TRP A 127 -14.374 16.332 4.634 1.00 0.00 H new ATOM 0 HE3 TRP A 127 -10.270 13.250 6.227 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 -14.016 14.049 3.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 -10.731 11.677 4.395 1.00 0.00 H new ATOM 0 HH2 TRP A 127 -12.577 12.075 2.825 1.00 0.00 H new ATOM 1892 N GLY A 128 -8.355 17.863 8.917 1.00 0.00 N ATOM 1893 CA GLY A 128 -7.523 18.081 10.060 1.00 0.00 C ATOM 1894 C GLY A 128 -6.287 18.848 9.693 1.00 0.00 C ATOM 1895 O GLY A 128 -6.123 19.249 8.532 1.00 0.00 O ATOM 0 H GLY A 128 -7.882 17.961 8.019 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -8.081 18.628 10.820 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -7.243 17.123 10.497 1.00 0.00 H new ATOM 1899 N VAL A 129 -5.409 19.021 10.642 1.00 0.00 N ATOM 1900 CA VAL A 129 -4.228 19.842 10.482 1.00 0.00 C ATOM 1901 C VAL A 129 -2.989 18.960 10.470 1.00 0.00 C ATOM 1902 O VAL A 129 -2.857 18.043 11.284 1.00 0.00 O ATOM 1903 CB VAL A 129 -4.104 20.871 11.657 1.00 0.00 C ATOM 1904 CG1 VAL A 129 -2.909 21.802 11.470 1.00 0.00 C ATOM 1905 CG2 VAL A 129 -5.388 21.677 11.822 1.00 0.00 C ATOM 0 H VAL A 129 -5.490 18.592 11.564 1.00 0.00 H new ATOM 0 HA VAL A 129 -4.314 20.384 9.540 1.00 0.00 H new ATOM 0 HB VAL A 129 -3.939 20.296 12.568 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -2.858 22.500 12.305 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -1.992 21.214 11.432 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -3.023 22.358 10.539 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -5.272 22.382 12.645 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -5.595 22.224 10.902 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -6.216 21.002 12.037 1.00 0.00 H new ATOM 1915 N PHE A 130 -2.113 19.228 9.542 1.00 0.00 N ATOM 1916 CA PHE A 130 -0.878 18.503 9.409 1.00 0.00 C ATOM 1917 C PHE A 130 0.211 19.361 10.019 1.00 0.00 C ATOM 1918 O PHE A 130 0.531 20.428 9.481 1.00 0.00 O ATOM 1919 CB PHE A 130 -0.561 18.255 7.923 1.00 0.00 C ATOM 1920 CG PHE A 130 -1.644 17.540 7.156 1.00 0.00 C ATOM 1921 CD1 PHE A 130 -2.680 18.249 6.561 1.00 0.00 C ATOM 1922 CD2 PHE A 130 -1.622 16.166 7.024 1.00 0.00 C ATOM 1923 CE1 PHE A 130 -3.667 17.598 5.853 1.00 0.00 C ATOM 1924 CE2 PHE A 130 -2.605 15.509 6.318 1.00 0.00 C ATOM 1925 CZ PHE A 130 -3.631 16.226 5.731 1.00 0.00 C ATOM 0 H PHE A 130 -2.237 19.965 8.848 1.00 0.00 H new ATOM 0 HA PHE A 130 -0.948 17.537 9.908 1.00 0.00 H new ATOM 0 HB2 PHE A 130 -0.368 19.214 7.442 1.00 0.00 H new ATOM 0 HB3 PHE A 130 0.358 17.673 7.854 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -2.712 19.324 6.655 1.00 0.00 H new ATOM 0 HD2 PHE A 130 -0.824 15.599 7.480 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -4.466 18.162 5.395 1.00 0.00 H new ATOM 0 HE2 PHE A 130 -2.574 14.434 6.223 1.00 0.00 H new ATOM 0 HZ PHE A 130 -4.403 15.712 5.178 1.00 0.00 H new ATOM 1935 N LYS A 131 0.742 18.940 11.121 1.00 0.00 N ATOM 1936 CA LYS A 131 1.748 19.689 11.816 1.00 0.00 C ATOM 1937 C LYS A 131 3.111 19.074 11.502 1.00 0.00 C ATOM 1938 O LYS A 131 3.518 18.105 12.179 1.00 0.00 O ATOM 1939 CB LYS A 131 1.468 19.649 13.327 1.00 0.00 C ATOM 1940 CG LYS A 131 2.243 20.663 14.152 1.00 0.00 C ATOM 1941 CD LYS A 131 1.780 22.084 13.854 1.00 0.00 C ATOM 1942 CE LYS A 131 2.496 23.094 14.725 1.00 0.00 C ATOM 1943 NZ LYS A 131 1.988 24.463 14.513 1.00 0.00 N ATOM 1944 OXT LYS A 131 3.769 19.533 10.548 1.00 0.00 O ATOM 0 H LYS A 131 0.490 18.060 11.571 1.00 0.00 H new ATOM 0 HA LYS A 131 1.739 20.731 11.495 1.00 0.00 H new ATOM 0 HB2 LYS A 131 0.402 19.811 13.488 1.00 0.00 H new ATOM 0 HB3 LYS A 131 1.698 18.650 13.697 1.00 0.00 H new ATOM 0 HG2 LYS A 131 2.111 20.450 15.213 1.00 0.00 H new ATOM 0 HG3 LYS A 131 3.308 20.572 13.938 1.00 0.00 H new ATOM 0 HD2 LYS A 131 1.961 22.314 12.804 1.00 0.00 H new ATOM 0 HD3 LYS A 131 0.705 22.159 14.016 1.00 0.00 H new ATOM 0 HE2 LYS A 131 2.375 22.820 15.773 1.00 0.00 H new ATOM 0 HE3 LYS A 131 3.564 23.066 14.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 2.504 25.124 15.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 2.127 24.735 13.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 0.974 24.497 14.743 1.00 0.00 H new