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 94 HIS : no HE2:sc= -1.34 K(o=-1.3,f=-1.9!) USER MOD Set 1.2: A 113 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 44 THR OG1 : rot 130:sc= -0.0488 USER MOD Set 2.2: A 91 GLN : amide:sc= 1.16 K(o=1.1,f=-2.7!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.102 K(o=-0.1,f=-3.6!) USER MOD Single : A 41 GLN : amide:sc=-0.00909 X(o=-0.0091,f=-0.32) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 175:sc= 1.43 (180deg=1.4) USER MOD Single : A 50 ASN : amide:sc= -0.148 X(o=-0.15,f=-0.00011) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0.641 K(o=0.64,f=-1.3!) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot -170:sc= 0 USER MOD Single : A 66 SER OG : rot -125:sc= 0.245 USER MOD Single : A 70 ASN : amide:sc= -0.0157 X(o=-0.016,f=-0.049) USER MOD Single : A 76 ASN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 16:sc= 1.1 USER MOD Single : A 89 CYS SG : rot -16:sc= -1.45! USER MOD Single : A 99 TYR OH : rot 150:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -0.0396 X(o=-0.04,f=-0.21) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -0.248 K(o=-0.25,f=-0.81) USER MOD Single : A 105 ASN : amide:sc= 0.243 K(o=0.24,f=-4.6!) USER MOD Single : A 108 TYR OH : rot -170:sc= 1.28 USER MOD Single : A 109 CYS SG : rot 180:sc= -0.735 USER MOD Single : A 114 CYS SG : rot -25:sc= 0.663 USER MOD Single : A 115 GLN :FLIP amide:sc= -0.369 F(o=-3.2!,f=-0.37) USER MOD Single : A 120 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 121 HIS : no HE2:sc= 0.945 K(o=0.95,f=-3.4!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 504 N TRP A 37 8.565 9.524 -3.977 1.00 0.00 N ATOM 505 CA TRP A 37 7.432 8.619 -3.899 1.00 0.00 C ATOM 506 C TRP A 37 7.731 7.347 -4.661 1.00 0.00 C ATOM 507 O TRP A 37 8.156 7.398 -5.817 1.00 0.00 O ATOM 508 CB TRP A 37 6.183 9.265 -4.498 1.00 0.00 C ATOM 509 CG TRP A 37 5.767 10.551 -3.852 1.00 0.00 C ATOM 510 CD1 TRP A 37 6.268 11.793 -4.104 1.00 0.00 C ATOM 511 CD2 TRP A 37 4.743 10.724 -2.875 1.00 0.00 C ATOM 512 NE1 TRP A 37 5.630 12.721 -3.332 1.00 0.00 N ATOM 513 CE2 TRP A 37 4.688 12.094 -2.571 1.00 0.00 C ATOM 514 CE3 TRP A 37 3.871 9.855 -2.223 1.00 0.00 C ATOM 515 CZ2 TRP A 37 3.796 12.615 -1.646 1.00 0.00 C ATOM 516 CZ3 TRP A 37 2.989 10.372 -1.306 1.00 0.00 C ATOM 517 CH2 TRP A 37 2.956 11.742 -1.024 1.00 0.00 C ATOM 0 HA TRP A 37 7.254 8.392 -2.848 1.00 0.00 H new ATOM 0 HB2 TRP A 37 6.359 9.448 -5.558 1.00 0.00 H new ATOM 0 HB3 TRP A 37 5.357 8.557 -4.430 1.00 0.00 H new ATOM 0 HD1 TRP A 37 7.055 12.011 -4.811 1.00 0.00 H new ATOM 0 HE1 TRP A 37 5.826 13.722 -3.326 1.00 0.00 H new ATOM 0 HE3 TRP A 37 3.888 8.796 -2.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 3.768 13.672 -1.427 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.308 9.709 -0.793 1.00 0.00 H new ATOM 0 HH2 TRP A 37 2.249 12.115 -0.298 1.00 0.00 H new ATOM 528 N LYS A 38 7.504 6.234 -4.045 1.00 0.00 N ATOM 529 CA LYS A 38 7.719 4.945 -4.660 1.00 0.00 C ATOM 530 C LYS A 38 6.371 4.237 -4.650 1.00 0.00 C ATOM 531 O LYS A 38 5.536 4.556 -3.811 1.00 0.00 O ATOM 532 CB LYS A 38 8.768 4.161 -3.844 1.00 0.00 C ATOM 533 CG LYS A 38 9.318 2.903 -4.515 1.00 0.00 C ATOM 534 CD LYS A 38 10.070 3.237 -5.803 1.00 0.00 C ATOM 535 CE LYS A 38 10.719 2.003 -6.409 1.00 0.00 C ATOM 536 NZ LYS A 38 11.406 2.300 -7.689 1.00 0.00 N ATOM 0 H LYS A 38 7.159 6.183 -3.087 1.00 0.00 H new ATOM 0 HA LYS A 38 8.095 5.030 -5.680 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.602 4.827 -3.622 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.323 3.878 -2.890 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.986 2.385 -3.827 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.498 2.220 -4.738 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.381 3.677 -6.524 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.834 3.986 -5.595 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.437 1.588 -5.702 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.959 1.240 -6.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.833 1.429 -8.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.718 2.671 -8.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.150 3.008 -7.527 1.00 0.00 H new ATOM 550 N LYS A 39 6.125 3.324 -5.552 1.00 0.00 N ATOM 551 CA LYS A 39 4.829 2.699 -5.574 1.00 0.00 C ATOM 552 C LYS A 39 4.860 1.386 -4.812 1.00 0.00 C ATOM 553 O LYS A 39 5.688 0.512 -5.083 1.00 0.00 O ATOM 554 CB LYS A 39 4.316 2.502 -7.005 1.00 0.00 C ATOM 555 CG LYS A 39 2.858 2.070 -7.058 1.00 0.00 C ATOM 556 CD LYS A 39 2.350 1.862 -8.477 1.00 0.00 C ATOM 557 CE LYS A 39 3.015 0.679 -9.153 1.00 0.00 C ATOM 558 NZ LYS A 39 2.427 0.401 -10.474 1.00 0.00 N ATOM 0 H LYS A 39 6.783 3.003 -6.262 1.00 0.00 H new ATOM 0 HA LYS A 39 4.127 3.368 -5.076 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.434 3.433 -7.559 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.930 1.753 -7.506 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.739 1.144 -6.496 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.244 2.823 -6.565 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.271 1.708 -8.456 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.532 2.763 -9.063 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.081 0.876 -9.264 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.918 -0.203 -8.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.909 -0.414 -10.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.415 0.188 -10.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.542 1.233 -11.087 1.00 0.00 H new ATOM 572 N ASN A 40 3.974 1.261 -3.860 1.00 0.00 N ATOM 573 CA ASN A 40 3.855 0.065 -3.049 1.00 0.00 C ATOM 574 C ASN A 40 3.139 -1.005 -3.863 1.00 0.00 C ATOM 575 O ASN A 40 2.500 -0.694 -4.873 1.00 0.00 O ATOM 576 CB ASN A 40 3.097 0.383 -1.729 1.00 0.00 C ATOM 577 CG ASN A 40 3.002 -0.793 -0.757 1.00 0.00 C ATOM 578 OD1 ASN A 40 3.852 -1.693 -0.751 1.00 0.00 O ATOM 579 ND2 ASN A 40 2.016 -0.772 0.088 1.00 0.00 N ATOM 0 H ASN A 40 3.304 1.991 -3.618 1.00 0.00 H new ATOM 0 HA ASN A 40 4.843 -0.304 -2.773 1.00 0.00 H new ATOM 0 HB2 ASN A 40 3.596 1.213 -1.229 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.089 0.718 -1.975 1.00 0.00 H new ATOM 0 HD21 ASN A 40 1.925 -1.512 0.784 1.00 0.00 H new ATOM 0 HD22 ASN A 40 1.333 -0.015 0.056 1.00 0.00 H new ATOM 586 N GLN A 41 3.184 -2.231 -3.398 1.00 0.00 N ATOM 587 CA GLN A 41 2.654 -3.391 -4.120 1.00 0.00 C ATOM 588 C GLN A 41 1.110 -3.404 -4.165 1.00 0.00 C ATOM 589 O GLN A 41 0.500 -4.347 -4.648 1.00 0.00 O ATOM 590 CB GLN A 41 3.195 -4.682 -3.488 1.00 0.00 C ATOM 591 CG GLN A 41 4.719 -4.678 -3.310 1.00 0.00 C ATOM 592 CD GLN A 41 5.485 -4.442 -4.608 1.00 0.00 C ATOM 593 OE1 GLN A 41 5.050 -4.823 -5.693 1.00 0.00 O ATOM 594 NE2 GLN A 41 6.610 -3.784 -4.514 1.00 0.00 N ATOM 0 H GLN A 41 3.594 -2.467 -2.494 1.00 0.00 H new ATOM 0 HA GLN A 41 2.992 -3.323 -5.154 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.723 -4.828 -2.516 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.911 -5.530 -4.111 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.990 -3.904 -2.592 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.029 -5.632 -2.883 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.948 -3.480 -3.601 1.00 0.00 H new ATOM 0 HE22 GLN A 41 7.150 -3.575 -5.354 1.00 0.00 H new ATOM 603 N TYR A 42 0.499 -2.357 -3.653 1.00 0.00 N ATOM 604 CA TYR A 42 -0.941 -2.189 -3.710 1.00 0.00 C ATOM 605 C TYR A 42 -1.317 -1.151 -4.766 1.00 0.00 C ATOM 606 O TYR A 42 -2.492 -0.857 -4.982 1.00 0.00 O ATOM 607 CB TYR A 42 -1.506 -1.793 -2.339 1.00 0.00 C ATOM 608 CG TYR A 42 -1.465 -2.908 -1.314 1.00 0.00 C ATOM 609 CD1 TYR A 42 -2.529 -3.790 -1.191 1.00 0.00 C ATOM 610 CD2 TYR A 42 -0.372 -3.080 -0.474 1.00 0.00 C ATOM 611 CE1 TYR A 42 -2.511 -4.808 -0.264 1.00 0.00 C ATOM 612 CE2 TYR A 42 -0.346 -4.099 0.458 1.00 0.00 C ATOM 613 CZ TYR A 42 -1.419 -4.960 0.557 1.00 0.00 C ATOM 614 OH TYR A 42 -1.404 -5.972 1.491 1.00 0.00 O ATOM 0 H TYR A 42 0.987 -1.594 -3.183 1.00 0.00 H new ATOM 0 HA TYR A 42 -1.381 -3.146 -3.991 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -0.944 -0.941 -1.957 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -2.538 -1.464 -2.463 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -3.388 -3.676 -1.835 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.469 -2.407 -0.551 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -3.350 -5.483 -0.182 1.00 0.00 H new ATOM 0 HE2 TYR A 42 0.510 -4.221 1.106 1.00 0.00 H new ATOM 0 HH TYR A 42 -0.561 -5.944 1.990 1.00 0.00 H new ATOM 624 N GLY A 43 -0.311 -0.592 -5.422 1.00 0.00 N ATOM 625 CA GLY A 43 -0.558 0.390 -6.461 1.00 0.00 C ATOM 626 C GLY A 43 -0.568 1.809 -5.936 1.00 0.00 C ATOM 627 O GLY A 43 -0.719 2.760 -6.697 1.00 0.00 O ATOM 0 H GLY A 43 0.673 -0.800 -5.254 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.208 0.298 -7.231 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.515 0.176 -6.936 1.00 0.00 H new ATOM 631 N THR A 44 -0.416 1.948 -4.652 1.00 0.00 N ATOM 632 CA THR A 44 -0.409 3.234 -4.019 1.00 0.00 C ATOM 633 C THR A 44 1.016 3.799 -3.993 1.00 0.00 C ATOM 634 O THR A 44 1.976 3.062 -3.764 1.00 0.00 O ATOM 635 CB THR A 44 -0.923 3.089 -2.587 1.00 0.00 C ATOM 636 OG1 THR A 44 -2.070 2.224 -2.606 1.00 0.00 O ATOM 637 CG2 THR A 44 -1.344 4.441 -2.049 1.00 0.00 C ATOM 0 H THR A 44 -0.292 1.166 -4.009 1.00 0.00 H new ATOM 0 HA THR A 44 -1.051 3.915 -4.578 1.00 0.00 H new ATOM 0 HB THR A 44 -0.136 2.679 -1.954 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.963 1.524 -1.928 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.709 4.329 -1.028 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.490 5.118 -2.057 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.137 4.851 -2.675 1.00 0.00 H new ATOM 645 N TRP A 45 1.145 5.078 -4.242 1.00 0.00 N ATOM 646 CA TRP A 45 2.435 5.739 -4.245 1.00 0.00 C ATOM 647 C TRP A 45 2.674 6.302 -2.869 1.00 0.00 C ATOM 648 O TRP A 45 1.856 7.066 -2.377 1.00 0.00 O ATOM 649 CB TRP A 45 2.432 6.865 -5.273 1.00 0.00 C ATOM 650 CG TRP A 45 2.105 6.406 -6.663 1.00 0.00 C ATOM 651 CD1 TRP A 45 0.859 6.208 -7.191 1.00 0.00 C ATOM 652 CD2 TRP A 45 3.032 6.105 -7.708 1.00 0.00 C ATOM 653 NE1 TRP A 45 0.961 5.788 -8.487 1.00 0.00 N ATOM 654 CE2 TRP A 45 2.281 5.721 -8.833 1.00 0.00 C ATOM 655 CE3 TRP A 45 4.424 6.119 -7.801 1.00 0.00 C ATOM 656 CZ2 TRP A 45 2.872 5.358 -10.033 1.00 0.00 C ATOM 657 CZ3 TRP A 45 5.008 5.760 -8.996 1.00 0.00 C ATOM 658 CH2 TRP A 45 4.234 5.385 -10.095 1.00 0.00 C ATOM 0 H TRP A 45 0.360 5.695 -4.449 1.00 0.00 H new ATOM 0 HA TRP A 45 3.224 5.033 -4.505 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.708 7.622 -4.969 1.00 0.00 H new ATOM 0 HB3 TRP A 45 3.411 7.344 -5.278 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -0.069 6.361 -6.661 1.00 0.00 H new ATOM 0 HE1 TRP A 45 0.177 5.561 -9.099 1.00 0.00 H new ATOM 0 HE3 TRP A 45 5.031 6.405 -6.954 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 2.277 5.065 -10.886 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 6.084 5.769 -9.084 1.00 0.00 H new ATOM 0 HH2 TRP A 45 4.725 5.110 -11.016 1.00 0.00 H new ATOM 669 N TYR A 46 3.760 5.939 -2.249 1.00 0.00 N ATOM 670 CA TYR A 46 3.999 6.351 -0.887 1.00 0.00 C ATOM 671 C TYR A 46 5.401 6.882 -0.710 1.00 0.00 C ATOM 672 O TYR A 46 6.291 6.613 -1.521 1.00 0.00 O ATOM 673 CB TYR A 46 3.765 5.176 0.094 1.00 0.00 C ATOM 674 CG TYR A 46 4.837 4.089 0.066 1.00 0.00 C ATOM 675 CD1 TYR A 46 4.966 3.231 -1.011 1.00 0.00 C ATOM 676 CD2 TYR A 46 5.717 3.929 1.135 1.00 0.00 C ATOM 677 CE1 TYR A 46 5.934 2.247 -1.033 1.00 0.00 C ATOM 678 CE2 TYR A 46 6.689 2.948 1.118 1.00 0.00 C ATOM 679 CZ TYR A 46 6.790 2.110 0.028 1.00 0.00 C ATOM 680 OH TYR A 46 7.746 1.119 0.010 1.00 0.00 O ATOM 0 H TYR A 46 4.494 5.361 -2.659 1.00 0.00 H new ATOM 0 HA TYR A 46 3.293 7.151 -0.664 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.700 5.575 1.106 1.00 0.00 H new ATOM 0 HB3 TYR A 46 2.801 4.720 -0.132 1.00 0.00 H new ATOM 0 HD1 TYR A 46 4.296 3.333 -1.852 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.637 4.583 1.991 1.00 0.00 H new ATOM 0 HE1 TYR A 46 6.016 1.587 -1.884 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.365 2.838 1.953 1.00 0.00 H new ATOM 0 HH TYR A 46 8.272 1.157 0.836 1.00 0.00 H new ATOM 690 N LYS A 47 5.574 7.645 0.324 1.00 0.00 N ATOM 691 CA LYS A 47 6.859 8.104 0.744 1.00 0.00 C ATOM 692 C LYS A 47 6.788 8.223 2.263 1.00 0.00 C ATOM 693 O LYS A 47 5.715 8.556 2.801 1.00 0.00 O ATOM 694 CB LYS A 47 7.229 9.485 0.125 1.00 0.00 C ATOM 695 CG LYS A 47 6.570 10.692 0.784 1.00 0.00 C ATOM 696 CD LYS A 47 7.049 11.998 0.177 1.00 0.00 C ATOM 697 CE LYS A 47 6.694 13.178 1.072 1.00 0.00 C ATOM 698 NZ LYS A 47 5.247 13.289 1.345 1.00 0.00 N ATOM 0 H LYS A 47 4.808 7.973 0.912 1.00 0.00 H new ATOM 0 HA LYS A 47 7.629 7.406 0.414 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.311 9.609 0.176 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.959 9.476 -0.931 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.488 10.618 0.678 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.787 10.686 1.852 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.128 11.960 0.030 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.598 12.134 -0.806 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.229 13.082 2.017 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.040 14.099 0.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.080 14.058 2.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.741 13.494 0.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.899 12.393 1.743 1.00 0.00 H new ATOM 712 N PRO A 48 7.843 7.890 2.986 1.00 0.00 N ATOM 713 CA PRO A 48 7.873 8.101 4.420 1.00 0.00 C ATOM 714 C PRO A 48 8.011 9.596 4.740 1.00 0.00 C ATOM 715 O PRO A 48 8.806 10.319 4.109 1.00 0.00 O ATOM 716 CB PRO A 48 9.106 7.315 4.895 1.00 0.00 C ATOM 717 CG PRO A 48 9.508 6.476 3.725 1.00 0.00 C ATOM 718 CD PRO A 48 9.066 7.236 2.510 1.00 0.00 C ATOM 0 HA PRO A 48 6.960 7.769 4.914 1.00 0.00 H new ATOM 0 HB2 PRO A 48 9.911 7.987 5.193 1.00 0.00 H new ATOM 0 HB3 PRO A 48 8.870 6.697 5.761 1.00 0.00 H new ATOM 0 HG2 PRO A 48 10.585 6.311 3.713 1.00 0.00 H new ATOM 0 HG3 PRO A 48 9.036 5.495 3.766 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.815 7.958 2.186 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.873 6.576 1.664 1.00 0.00 H new ATOM 726 N GLU A 49 7.218 10.051 5.666 1.00 0.00 N ATOM 727 CA GLU A 49 7.199 11.424 6.090 1.00 0.00 C ATOM 728 C GLU A 49 6.767 11.430 7.535 1.00 0.00 C ATOM 729 O GLU A 49 5.700 10.926 7.860 1.00 0.00 O ATOM 730 CB GLU A 49 6.202 12.238 5.241 1.00 0.00 C ATOM 731 CG GLU A 49 6.125 13.728 5.583 1.00 0.00 C ATOM 732 CD GLU A 49 5.068 14.470 4.776 1.00 0.00 C ATOM 733 OE1 GLU A 49 5.258 14.674 3.561 1.00 0.00 O ATOM 734 OE2 GLU A 49 4.033 14.871 5.334 1.00 0.00 O ATOM 0 H GLU A 49 6.548 9.463 6.161 1.00 0.00 H new ATOM 0 HA GLU A 49 8.183 11.877 5.970 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.475 12.136 4.191 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.210 11.803 5.357 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.908 13.841 6.645 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.098 14.187 5.406 1.00 0.00 H new ATOM 741 N ASN A 50 7.581 11.957 8.392 1.00 0.00 N ATOM 742 CA ASN A 50 7.249 11.982 9.791 1.00 0.00 C ATOM 743 C ASN A 50 6.766 13.360 10.162 1.00 0.00 C ATOM 744 O ASN A 50 7.551 14.316 10.234 1.00 0.00 O ATOM 745 CB ASN A 50 8.453 11.602 10.654 1.00 0.00 C ATOM 746 CG ASN A 50 8.120 11.446 12.138 1.00 0.00 C ATOM 747 OD1 ASN A 50 8.937 11.791 13.011 1.00 0.00 O ATOM 748 ND2 ASN A 50 6.966 10.886 12.449 1.00 0.00 N ATOM 0 H ASN A 50 8.480 12.377 8.155 1.00 0.00 H new ATOM 0 HA ASN A 50 6.462 11.250 9.974 1.00 0.00 H new ATOM 0 HB2 ASN A 50 8.873 10.666 10.285 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.224 12.364 10.542 1.00 0.00 H new ATOM 0 HD21 ASN A 50 6.724 10.726 13.427 1.00 0.00 H new ATOM 0 HD22 ASN A 50 6.316 10.614 11.712 1.00 0.00 H new ATOM 755 N ALA A 51 5.491 13.470 10.362 1.00 0.00 N ATOM 756 CA ALA A 51 4.871 14.713 10.735 1.00 0.00 C ATOM 757 C ALA A 51 3.623 14.395 11.509 1.00 0.00 C ATOM 758 O ALA A 51 3.270 13.223 11.644 1.00 0.00 O ATOM 759 CB ALA A 51 4.571 15.570 9.511 1.00 0.00 C ATOM 0 H ALA A 51 4.838 12.692 10.271 1.00 0.00 H new ATOM 0 HA ALA A 51 5.549 15.297 11.357 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.103 16.503 9.826 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.500 15.790 8.984 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.896 15.031 8.846 1.00 0.00 H new ATOM 765 N THR A 52 2.951 15.385 11.997 1.00 0.00 N ATOM 766 CA THR A 52 1.822 15.159 12.840 1.00 0.00 C ATOM 767 C THR A 52 0.521 15.625 12.163 1.00 0.00 C ATOM 768 O THR A 52 0.535 16.501 11.296 1.00 0.00 O ATOM 769 CB THR A 52 2.058 15.892 14.184 1.00 0.00 C ATOM 770 OG1 THR A 52 3.353 15.517 14.670 1.00 0.00 O ATOM 771 CG2 THR A 52 1.021 15.526 15.234 1.00 0.00 C ATOM 0 H THR A 52 3.166 16.367 11.825 1.00 0.00 H new ATOM 0 HA THR A 52 1.710 14.091 13.026 1.00 0.00 H new ATOM 0 HB THR A 52 1.982 16.965 14.006 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.527 15.971 15.521 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.231 16.066 16.157 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.028 15.795 14.874 1.00 0.00 H new ATOM 0 HG23 THR A 52 1.059 14.454 15.425 1.00 0.00 H new ATOM 779 N PHE A 53 -0.556 14.983 12.514 1.00 0.00 N ATOM 780 CA PHE A 53 -1.874 15.326 12.083 1.00 0.00 C ATOM 781 C PHE A 53 -2.756 15.418 13.314 1.00 0.00 C ATOM 782 O PHE A 53 -2.819 14.486 14.118 1.00 0.00 O ATOM 783 CB PHE A 53 -2.415 14.265 11.111 1.00 0.00 C ATOM 784 CG PHE A 53 -3.853 14.471 10.708 1.00 0.00 C ATOM 785 CD1 PHE A 53 -4.199 15.451 9.796 1.00 0.00 C ATOM 786 CD2 PHE A 53 -4.857 13.675 11.245 1.00 0.00 C ATOM 787 CE1 PHE A 53 -5.514 15.636 9.427 1.00 0.00 C ATOM 788 CE2 PHE A 53 -6.174 13.857 10.880 1.00 0.00 C ATOM 789 CZ PHE A 53 -6.504 14.837 9.971 1.00 0.00 C ATOM 0 H PHE A 53 -0.535 14.173 13.134 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.862 16.280 11.556 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.795 14.261 10.214 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.316 13.282 11.572 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.431 16.078 9.368 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.603 12.904 11.957 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.772 16.405 8.713 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.945 13.232 11.306 1.00 0.00 H new ATOM 0 HZ PHE A 53 -7.535 14.982 9.683 1.00 0.00 H new ATOM 799 N VAL A 54 -3.393 16.524 13.483 1.00 0.00 N ATOM 800 CA VAL A 54 -4.253 16.739 14.610 1.00 0.00 C ATOM 801 C VAL A 54 -5.688 16.732 14.120 1.00 0.00 C ATOM 802 O VAL A 54 -6.098 17.620 13.360 1.00 0.00 O ATOM 803 CB VAL A 54 -3.956 18.097 15.313 1.00 0.00 C ATOM 804 CG1 VAL A 54 -4.774 18.246 16.588 1.00 0.00 C ATOM 805 CG2 VAL A 54 -2.467 18.258 15.604 1.00 0.00 C ATOM 0 H VAL A 54 -3.336 17.315 12.842 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.081 15.946 15.338 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.251 18.891 14.627 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.546 19.203 17.057 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.836 18.205 16.346 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.527 17.437 17.275 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.294 19.216 16.095 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.134 17.451 16.256 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.908 18.223 14.669 1.00 0.00 H new ATOM 815 N ASN A 55 -6.420 15.709 14.473 1.00 0.00 N ATOM 816 CA ASN A 55 -7.820 15.624 14.098 1.00 0.00 C ATOM 817 C ASN A 55 -8.608 16.548 15.013 1.00 0.00 C ATOM 818 O ASN A 55 -8.449 16.471 16.231 1.00 0.00 O ATOM 819 CB ASN A 55 -8.332 14.188 14.216 1.00 0.00 C ATOM 820 CG ASN A 55 -9.726 14.057 13.661 1.00 0.00 C ATOM 821 OD1 ASN A 55 -10.099 14.773 12.755 1.00 0.00 O ATOM 822 ND2 ASN A 55 -10.499 13.158 14.178 1.00 0.00 N ATOM 0 H ASN A 55 -6.077 14.919 15.020 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.943 15.927 13.058 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -7.661 13.515 13.682 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -8.324 13.882 15.262 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -11.448 13.037 13.825 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -10.159 12.570 14.939 1.00 0.00 H new ATOM 829 N GLY A 56 -9.456 17.398 14.467 1.00 0.00 N ATOM 830 CA GLY A 56 -10.095 18.380 15.318 1.00 0.00 C ATOM 831 C GLY A 56 -11.615 18.364 15.325 1.00 0.00 C ATOM 832 O GLY A 56 -12.231 18.071 16.354 1.00 0.00 O ATOM 0 H GLY A 56 -9.711 17.431 13.480 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.745 18.230 16.339 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.763 19.371 15.009 1.00 0.00 H new ATOM 836 N ASN A 57 -12.209 18.654 14.192 1.00 0.00 N ATOM 837 CA ASN A 57 -13.662 18.858 14.081 1.00 0.00 C ATOM 838 C ASN A 57 -14.484 17.593 14.289 1.00 0.00 C ATOM 839 O ASN A 57 -15.352 17.543 15.165 1.00 0.00 O ATOM 840 CB ASN A 57 -14.026 19.469 12.709 1.00 0.00 C ATOM 841 CG ASN A 57 -15.537 19.718 12.534 1.00 0.00 C ATOM 842 OD1 ASN A 57 -16.265 19.984 13.497 1.00 0.00 O ATOM 843 ND2 ASN A 57 -16.017 19.639 11.313 1.00 0.00 N ATOM 0 H ASN A 57 -11.710 18.759 13.309 1.00 0.00 H new ATOM 0 HA ASN A 57 -13.916 19.544 14.889 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -13.493 20.412 12.586 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -13.681 18.802 11.919 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -17.010 19.799 11.144 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -15.396 19.418 10.534 1.00 0.00 H new ATOM 850 N GLN A 58 -14.208 16.596 13.515 1.00 0.00 N ATOM 851 CA GLN A 58 -15.044 15.425 13.470 1.00 0.00 C ATOM 852 C GLN A 58 -14.212 14.153 13.514 1.00 0.00 C ATOM 853 O GLN A 58 -13.019 14.179 13.222 1.00 0.00 O ATOM 854 CB GLN A 58 -15.845 15.456 12.159 1.00 0.00 C ATOM 855 CG GLN A 58 -14.956 15.479 10.916 1.00 0.00 C ATOM 856 CD GLN A 58 -15.733 15.516 9.631 1.00 0.00 C ATOM 857 OE1 GLN A 58 -16.050 16.581 9.122 1.00 0.00 O ATOM 858 NE2 GLN A 58 -16.037 14.364 9.091 1.00 0.00 N ATOM 0 H GLN A 58 -13.400 16.562 12.894 1.00 0.00 H new ATOM 0 HA GLN A 58 -15.706 15.428 14.336 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -16.496 14.583 12.117 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -16.490 16.335 12.154 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -14.301 16.349 10.962 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -14.315 14.597 10.920 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -15.754 13.497 9.547 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -16.557 14.333 8.214 1.00 0.00 H new ATOM 867 N PRO A 59 -14.810 13.030 13.928 1.00 0.00 N ATOM 868 CA PRO A 59 -14.171 11.739 13.808 1.00 0.00 C ATOM 869 C PRO A 59 -14.074 11.365 12.328 1.00 0.00 C ATOM 870 O PRO A 59 -15.016 11.605 11.548 1.00 0.00 O ATOM 871 CB PRO A 59 -15.117 10.777 14.547 1.00 0.00 C ATOM 872 CG PRO A 59 -16.019 11.650 15.341 1.00 0.00 C ATOM 873 CD PRO A 59 -16.123 12.932 14.580 1.00 0.00 C ATOM 0 HA PRO A 59 -13.162 11.715 14.219 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -15.681 10.163 13.845 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -14.561 10.096 15.191 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -16.999 11.189 15.465 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -15.618 11.820 16.340 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -16.935 12.906 13.853 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -16.312 13.780 15.239 1.00 0.00 H new ATOM 881 N ILE A 60 -12.964 10.824 11.938 1.00 0.00 N ATOM 882 CA ILE A 60 -12.743 10.483 10.553 1.00 0.00 C ATOM 883 C ILE A 60 -12.656 8.972 10.416 1.00 0.00 C ATOM 884 O ILE A 60 -11.983 8.317 11.212 1.00 0.00 O ATOM 885 CB ILE A 60 -11.432 11.129 10.009 1.00 0.00 C ATOM 886 CG1 ILE A 60 -11.454 12.655 10.194 1.00 0.00 C ATOM 887 CG2 ILE A 60 -11.238 10.784 8.535 1.00 0.00 C ATOM 888 CD1 ILE A 60 -10.189 13.352 9.721 1.00 0.00 C ATOM 0 H ILE A 60 -12.185 10.604 12.559 1.00 0.00 H new ATOM 0 HA ILE A 60 -13.579 10.869 9.969 1.00 0.00 H new ATOM 0 HB ILE A 60 -10.596 10.724 10.579 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -12.307 13.064 9.652 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -11.608 12.881 11.249 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -10.318 11.243 8.172 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -11.174 9.702 8.420 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -12.083 11.160 7.959 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -10.282 14.426 9.885 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -9.334 12.972 10.280 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -10.043 13.159 8.658 1.00 0.00 H new ATOM 900 N VAL A 61 -13.346 8.419 9.448 1.00 0.00 N ATOM 901 CA VAL A 61 -13.276 6.994 9.217 1.00 0.00 C ATOM 902 C VAL A 61 -12.052 6.668 8.340 1.00 0.00 C ATOM 903 O VAL A 61 -11.844 7.265 7.271 1.00 0.00 O ATOM 904 CB VAL A 61 -14.597 6.412 8.624 1.00 0.00 C ATOM 905 CG1 VAL A 61 -14.956 7.029 7.278 1.00 0.00 C ATOM 906 CG2 VAL A 61 -14.526 4.893 8.539 1.00 0.00 C ATOM 0 H VAL A 61 -13.959 8.928 8.811 1.00 0.00 H new ATOM 0 HA VAL A 61 -13.153 6.503 10.182 1.00 0.00 H new ATOM 0 HB VAL A 61 -15.402 6.681 9.308 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -15.883 6.588 6.911 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -15.087 8.105 7.394 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -14.155 6.836 6.564 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -15.457 4.508 8.123 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -13.694 4.603 7.897 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -14.376 4.479 9.536 1.00 0.00 H new ATOM 916 N THR A 62 -11.255 5.749 8.802 1.00 0.00 N ATOM 917 CA THR A 62 -10.007 5.424 8.182 1.00 0.00 C ATOM 918 C THR A 62 -10.062 4.034 7.520 1.00 0.00 C ATOM 919 O THR A 62 -11.121 3.373 7.511 1.00 0.00 O ATOM 920 CB THR A 62 -8.889 5.468 9.253 1.00 0.00 C ATOM 921 OG1 THR A 62 -9.200 4.552 10.307 1.00 0.00 O ATOM 922 CG2 THR A 62 -8.777 6.860 9.860 1.00 0.00 C ATOM 0 H THR A 62 -11.459 5.196 9.634 1.00 0.00 H new ATOM 0 HA THR A 62 -9.797 6.153 7.399 1.00 0.00 H new ATOM 0 HB THR A 62 -7.949 5.201 8.771 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.582 4.692 11.055 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.986 6.867 10.610 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.542 7.581 9.077 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.723 7.130 10.329 1.00 0.00 H new ATOM 930 N ARG A 63 -8.970 3.636 6.896 1.00 0.00 N ATOM 931 CA ARG A 63 -8.830 2.302 6.327 1.00 0.00 C ATOM 932 C ARG A 63 -7.781 1.567 7.140 1.00 0.00 C ATOM 933 O ARG A 63 -6.906 2.202 7.744 1.00 0.00 O ATOM 934 CB ARG A 63 -8.352 2.334 4.875 1.00 0.00 C ATOM 935 CG ARG A 63 -9.221 3.066 3.859 1.00 0.00 C ATOM 936 CD ARG A 63 -10.631 2.508 3.706 1.00 0.00 C ATOM 937 NE ARG A 63 -11.566 3.039 4.692 1.00 0.00 N ATOM 938 CZ ARG A 63 -12.823 3.412 4.411 1.00 0.00 C ATOM 939 NH1 ARG A 63 -13.342 3.196 3.205 1.00 0.00 N ATOM 940 NH2 ARG A 63 -13.560 3.985 5.345 1.00 0.00 N ATOM 0 H ARG A 63 -8.150 4.228 6.767 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.806 1.816 6.352 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.361 2.788 4.858 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -8.236 1.304 4.537 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.290 4.115 4.149 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -8.726 3.035 2.889 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -10.999 2.736 2.706 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -10.597 1.422 3.794 1.00 0.00 H new ATOM 0 HE ARG A 63 -11.243 3.132 5.655 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -12.783 2.742 2.483 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -14.299 3.484 3.003 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -13.173 4.142 6.275 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -14.517 4.270 5.136 1.00 0.00 H new ATOM 954 N ILE A 64 -7.840 0.262 7.160 1.00 0.00 N ATOM 955 CA ILE A 64 -6.891 -0.510 7.933 1.00 0.00 C ATOM 956 C ILE A 64 -6.075 -1.446 7.029 1.00 0.00 C ATOM 957 O ILE A 64 -6.634 -2.193 6.233 1.00 0.00 O ATOM 958 CB ILE A 64 -7.610 -1.352 9.035 1.00 0.00 C ATOM 959 CG1 ILE A 64 -8.507 -0.448 9.911 1.00 0.00 C ATOM 960 CG2 ILE A 64 -6.582 -2.086 9.907 1.00 0.00 C ATOM 961 CD1 ILE A 64 -9.293 -1.187 10.977 1.00 0.00 C ATOM 0 H ILE A 64 -8.531 -0.292 6.653 1.00 0.00 H new ATOM 0 HA ILE A 64 -6.217 0.199 8.414 1.00 0.00 H new ATOM 0 HB ILE A 64 -8.240 -2.092 8.543 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.883 0.304 10.393 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.206 0.084 9.266 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.101 -2.667 10.669 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -5.987 -2.753 9.284 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -5.928 -1.359 10.388 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -9.894 -0.476 11.544 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -9.947 -1.920 10.504 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -8.603 -1.697 11.650 1.00 0.00 H new ATOM 973 N GLY A 65 -4.760 -1.348 7.126 1.00 0.00 N ATOM 974 CA GLY A 65 -3.853 -2.279 6.470 1.00 0.00 C ATOM 975 C GLY A 65 -3.508 -1.965 5.024 1.00 0.00 C ATOM 976 O GLY A 65 -2.472 -2.417 4.528 1.00 0.00 O ATOM 0 H GLY A 65 -4.289 -0.620 7.663 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.927 -2.318 7.043 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.295 -3.275 6.509 1.00 0.00 H new ATOM 980 N SER A 66 -4.334 -1.217 4.338 1.00 0.00 N ATOM 981 CA SER A 66 -4.079 -0.895 2.940 1.00 0.00 C ATOM 982 C SER A 66 -4.759 0.423 2.577 1.00 0.00 C ATOM 983 O SER A 66 -5.828 0.719 3.107 1.00 0.00 O ATOM 984 CB SER A 66 -4.619 -2.030 2.037 1.00 0.00 C ATOM 985 OG SER A 66 -4.038 -3.285 2.386 1.00 0.00 O ATOM 0 H SER A 66 -5.192 -0.815 4.717 1.00 0.00 H new ATOM 0 HA SER A 66 -3.005 -0.794 2.787 1.00 0.00 H new ATOM 0 HB2 SER A 66 -5.703 -2.089 2.131 1.00 0.00 H new ATOM 0 HB3 SER A 66 -4.402 -1.803 0.993 1.00 0.00 H new ATOM 0 HG SER A 66 -3.629 -3.688 1.592 1.00 0.00 H new ATOM 991 N PRO A 67 -4.138 1.269 1.739 1.00 0.00 N ATOM 992 CA PRO A 67 -4.770 2.481 1.275 1.00 0.00 C ATOM 993 C PRO A 67 -5.551 2.256 -0.038 1.00 0.00 C ATOM 994 O PRO A 67 -4.974 1.926 -1.073 1.00 0.00 O ATOM 995 CB PRO A 67 -3.590 3.426 1.035 1.00 0.00 C ATOM 996 CG PRO A 67 -2.358 2.552 0.951 1.00 0.00 C ATOM 997 CD PRO A 67 -2.778 1.130 1.208 1.00 0.00 C ATOM 0 HA PRO A 67 -5.501 2.863 1.988 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -3.727 3.994 0.115 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.500 4.149 1.846 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.894 2.641 -0.031 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.616 2.868 1.684 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -2.762 0.535 0.295 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -2.116 0.638 1.921 1.00 0.00 H new ATOM 1005 N PHE A 68 -6.836 2.495 0.024 1.00 0.00 N ATOM 1006 CA PHE A 68 -7.800 2.378 -1.072 1.00 0.00 C ATOM 1007 C PHE A 68 -9.040 3.019 -0.551 1.00 0.00 C ATOM 1008 O PHE A 68 -9.121 3.278 0.648 1.00 0.00 O ATOM 1009 CB PHE A 68 -8.189 0.901 -1.429 1.00 0.00 C ATOM 1010 CG PHE A 68 -7.127 0.011 -2.006 1.00 0.00 C ATOM 1011 CD1 PHE A 68 -6.781 0.110 -3.341 1.00 0.00 C ATOM 1012 CD2 PHE A 68 -6.498 -0.944 -1.223 1.00 0.00 C ATOM 1013 CE1 PHE A 68 -5.828 -0.723 -3.885 1.00 0.00 C ATOM 1014 CE2 PHE A 68 -5.543 -1.775 -1.761 1.00 0.00 C ATOM 1015 CZ PHE A 68 -5.205 -1.666 -3.094 1.00 0.00 C ATOM 0 H PHE A 68 -7.279 2.797 0.892 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.366 2.822 -1.968 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -8.565 0.427 -0.523 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -9.016 0.936 -2.138 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.263 0.849 -3.964 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.760 -1.037 -0.179 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.569 -0.638 -4.930 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.058 -2.513 -1.140 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.455 -2.317 -3.517 1.00 0.00 H new ATOM 1025 N LEU A 69 -9.995 3.253 -1.391 1.00 0.00 N ATOM 1026 CA LEU A 69 -11.289 3.702 -0.938 1.00 0.00 C ATOM 1027 C LEU A 69 -12.029 2.469 -0.437 1.00 0.00 C ATOM 1028 O LEU A 69 -12.669 2.479 0.603 1.00 0.00 O ATOM 1029 CB LEU A 69 -12.079 4.337 -2.096 1.00 0.00 C ATOM 1030 CG LEU A 69 -11.423 5.525 -2.814 1.00 0.00 C ATOM 1031 CD1 LEU A 69 -12.296 5.989 -3.966 1.00 0.00 C ATOM 1032 CD2 LEU A 69 -11.178 6.674 -1.848 1.00 0.00 C ATOM 0 H LEU A 69 -9.911 3.143 -2.402 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.180 4.453 -0.156 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.279 3.562 -2.836 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.044 4.665 -1.709 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.461 5.196 -3.207 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.820 6.832 -4.467 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.427 5.172 -4.675 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.269 6.297 -3.584 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.713 7.504 -2.380 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -12.127 7.002 -1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.518 6.341 -1.047 1.00 0.00 H new ATOM 1044 N ASN A 70 -11.816 1.374 -1.156 1.00 0.00 N ATOM 1045 CA ASN A 70 -12.483 0.083 -0.899 1.00 0.00 C ATOM 1046 C ASN A 70 -11.701 -0.783 0.103 1.00 0.00 C ATOM 1047 O ASN A 70 -11.995 -1.977 0.280 1.00 0.00 O ATOM 1048 CB ASN A 70 -12.672 -0.698 -2.223 1.00 0.00 C ATOM 1049 CG ASN A 70 -11.358 -1.190 -2.843 1.00 0.00 C ATOM 1050 OD1 ASN A 70 -10.715 -0.482 -3.610 1.00 0.00 O ATOM 1051 ND2 ASN A 70 -10.977 -2.404 -2.540 1.00 0.00 N ATOM 0 H ASN A 70 -11.170 1.347 -1.945 1.00 0.00 H new ATOM 0 HA ASN A 70 -13.456 0.306 -0.461 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -13.320 -1.555 -2.039 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.185 -0.059 -2.941 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -10.123 -2.787 -2.945 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -11.534 -2.968 -1.898 1.00 0.00 H new ATOM 1058 N ALA A 71 -10.730 -0.189 0.759 1.00 0.00 N ATOM 1059 CA ALA A 71 -9.914 -0.892 1.747 1.00 0.00 C ATOM 1060 C ALA A 71 -10.744 -1.132 3.021 1.00 0.00 C ATOM 1061 O ALA A 71 -11.778 -0.482 3.191 1.00 0.00 O ATOM 1062 CB ALA A 71 -8.674 -0.073 2.062 1.00 0.00 C ATOM 0 H ALA A 71 -10.477 0.791 0.630 1.00 0.00 H new ATOM 0 HA ALA A 71 -9.600 -1.856 1.347 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.068 -0.600 2.799 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.093 0.073 1.151 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -8.970 0.897 2.462 1.00 0.00 H new ATOM 1068 N PRO A 72 -10.307 -2.070 3.914 1.00 0.00 N ATOM 1069 CA PRO A 72 -11.030 -2.407 5.158 1.00 0.00 C ATOM 1070 C PRO A 72 -11.480 -1.187 5.959 1.00 0.00 C ATOM 1071 O PRO A 72 -10.663 -0.326 6.343 1.00 0.00 O ATOM 1072 CB PRO A 72 -9.997 -3.203 5.946 1.00 0.00 C ATOM 1073 CG PRO A 72 -9.213 -3.892 4.897 1.00 0.00 C ATOM 1074 CD PRO A 72 -9.080 -2.900 3.782 1.00 0.00 C ATOM 0 HA PRO A 72 -11.956 -2.942 4.946 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -9.368 -2.552 6.554 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -10.470 -3.913 6.624 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -8.235 -4.194 5.272 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -9.719 -4.797 4.559 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -8.176 -2.300 3.883 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -9.029 -3.391 2.810 1.00 0.00 H new ATOM 1082 N VAL A 73 -12.768 -1.131 6.197 1.00 0.00 N ATOM 1083 CA VAL A 73 -13.405 -0.058 6.917 1.00 0.00 C ATOM 1084 C VAL A 73 -13.577 -0.520 8.380 1.00 0.00 C ATOM 1085 O VAL A 73 -13.329 -1.694 8.691 1.00 0.00 O ATOM 1086 CB VAL A 73 -14.809 0.254 6.276 1.00 0.00 C ATOM 1087 CG1 VAL A 73 -15.438 1.534 6.818 1.00 0.00 C ATOM 1088 CG2 VAL A 73 -14.724 0.306 4.758 1.00 0.00 C ATOM 0 H VAL A 73 -13.419 -1.852 5.886 1.00 0.00 H new ATOM 0 HA VAL A 73 -12.803 0.850 6.873 1.00 0.00 H new ATOM 0 HB VAL A 73 -15.462 -0.570 6.563 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -16.404 1.696 6.339 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -15.578 1.443 7.895 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -14.782 2.379 6.608 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -15.709 0.523 4.346 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -14.025 1.087 4.459 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -14.376 -0.655 4.380 1.00 0.00 H new ATOM 1098 N GLY A 74 -13.999 0.369 9.251 1.00 0.00 N ATOM 1099 CA GLY A 74 -14.197 0.032 10.637 1.00 0.00 C ATOM 1100 C GLY A 74 -13.320 0.858 11.529 1.00 0.00 C ATOM 1101 O GLY A 74 -13.693 1.168 12.659 1.00 0.00 O ATOM 0 H GLY A 74 -14.213 1.339 9.018 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -15.242 0.188 10.906 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -13.982 -1.026 10.791 1.00 0.00 H new ATOM 1105 N GLY A 75 -12.171 1.244 11.013 1.00 0.00 N ATOM 1106 CA GLY A 75 -11.265 2.078 11.763 1.00 0.00 C ATOM 1107 C GLY A 75 -11.780 3.494 11.836 1.00 0.00 C ATOM 1108 O GLY A 75 -12.143 4.078 10.813 1.00 0.00 O ATOM 0 H GLY A 75 -11.846 0.992 10.079 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.143 1.678 12.770 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.281 2.067 11.295 1.00 0.00 H new ATOM 1112 N ASN A 76 -11.880 4.029 13.019 1.00 0.00 N ATOM 1113 CA ASN A 76 -12.364 5.379 13.183 1.00 0.00 C ATOM 1114 C ASN A 76 -11.406 6.186 14.031 1.00 0.00 C ATOM 1115 O ASN A 76 -10.983 5.736 15.100 1.00 0.00 O ATOM 1116 CB ASN A 76 -13.772 5.383 13.789 1.00 0.00 C ATOM 1117 CG ASN A 76 -14.389 6.775 13.854 1.00 0.00 C ATOM 1118 OD1 ASN A 76 -14.289 7.423 14.983 1.00 0.00 O flip ATOM 1119 ND2 ASN A 76 -15.004 7.236 12.888 1.00 0.00 N flip ATOM 0 H ASN A 76 -11.634 3.555 13.888 1.00 0.00 H new ATOM 0 HA ASN A 76 -12.422 5.845 12.199 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -14.417 4.733 13.198 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -13.730 4.963 14.794 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -15.063 6.704 12.020 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -15.453 8.149 12.958 1.00 0.00 H new ATOM 1126 N LEU A 77 -11.053 7.344 13.557 1.00 0.00 N ATOM 1127 CA LEU A 77 -10.174 8.235 14.265 1.00 0.00 C ATOM 1128 C LEU A 77 -11.015 9.275 15.005 1.00 0.00 C ATOM 1129 O LEU A 77 -11.697 10.079 14.368 1.00 0.00 O ATOM 1130 CB LEU A 77 -9.228 8.932 13.273 1.00 0.00 C ATOM 1131 CG LEU A 77 -8.220 9.918 13.869 1.00 0.00 C ATOM 1132 CD1 LEU A 77 -7.264 9.209 14.808 1.00 0.00 C ATOM 1133 CD2 LEU A 77 -7.454 10.629 12.767 1.00 0.00 C ATOM 0 H LEU A 77 -11.370 7.704 12.657 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.575 7.672 14.981 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.675 8.164 12.732 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.834 9.465 12.540 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.772 10.663 14.443 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.557 9.929 15.219 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.826 8.748 15.620 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.720 8.439 14.261 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.742 11.326 13.210 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.917 9.895 12.165 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.152 11.177 12.134 1.00 0.00 H new ATOM 1145 N PRO A 78 -11.011 9.258 16.352 1.00 0.00 N ATOM 1146 CA PRO A 78 -11.781 10.213 17.154 1.00 0.00 C ATOM 1147 C PRO A 78 -11.260 11.650 17.013 1.00 0.00 C ATOM 1148 O PRO A 78 -10.090 11.878 16.647 1.00 0.00 O ATOM 1149 CB PRO A 78 -11.598 9.710 18.593 1.00 0.00 C ATOM 1150 CG PRO A 78 -10.333 8.934 18.564 1.00 0.00 C ATOM 1151 CD PRO A 78 -10.269 8.303 17.205 1.00 0.00 C ATOM 0 HA PRO A 78 -12.823 10.259 16.838 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -11.537 10.539 19.298 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -12.437 9.088 18.905 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -9.473 9.582 18.735 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -10.322 8.176 19.347 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -9.240 8.177 16.868 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -10.730 7.315 17.198 1.00 0.00 H new ATOM 1159 N ALA A 79 -12.127 12.600 17.262 1.00 0.00 N ATOM 1160 CA ALA A 79 -11.787 14.001 17.174 1.00 0.00 C ATOM 1161 C ALA A 79 -10.967 14.406 18.387 1.00 0.00 C ATOM 1162 O ALA A 79 -11.192 13.900 19.486 1.00 0.00 O ATOM 1163 CB ALA A 79 -13.050 14.838 17.069 1.00 0.00 C ATOM 0 H ALA A 79 -13.094 12.423 17.533 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.190 14.174 16.279 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.783 15.893 17.003 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.606 14.548 16.177 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -13.669 14.675 17.951 1.00 0.00 H new ATOM 1169 N GLY A 80 -9.995 15.269 18.185 1.00 0.00 N ATOM 1170 CA GLY A 80 -9.151 15.716 19.272 1.00 0.00 C ATOM 1171 C GLY A 80 -7.884 14.895 19.373 1.00 0.00 C ATOM 1172 O GLY A 80 -6.997 15.196 20.176 1.00 0.00 O ATOM 0 H GLY A 80 -9.769 15.676 17.277 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.894 16.765 19.125 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.702 15.651 20.210 1.00 0.00 H new ATOM 1176 N ALA A 81 -7.794 13.874 18.545 1.00 0.00 N ATOM 1177 CA ALA A 81 -6.676 12.967 18.567 1.00 0.00 C ATOM 1178 C ALA A 81 -5.491 13.522 17.789 1.00 0.00 C ATOM 1179 O ALA A 81 -5.618 13.918 16.616 1.00 0.00 O ATOM 1180 CB ALA A 81 -7.084 11.610 18.018 1.00 0.00 C ATOM 0 H ALA A 81 -8.497 13.654 17.839 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.364 12.848 19.605 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.228 10.936 18.041 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.888 11.197 18.628 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.430 11.722 16.990 1.00 0.00 H new ATOM 1186 N THR A 82 -4.363 13.561 18.444 1.00 0.00 N ATOM 1187 CA THR A 82 -3.134 13.995 17.844 1.00 0.00 C ATOM 1188 C THR A 82 -2.401 12.749 17.360 1.00 0.00 C ATOM 1189 O THR A 82 -2.037 11.893 18.164 1.00 0.00 O ATOM 1190 CB THR A 82 -2.280 14.716 18.899 1.00 0.00 C ATOM 1191 OG1 THR A 82 -3.093 15.716 19.543 1.00 0.00 O ATOM 1192 CG2 THR A 82 -1.068 15.380 18.264 1.00 0.00 C ATOM 0 H THR A 82 -4.272 13.288 19.423 1.00 0.00 H new ATOM 0 HA THR A 82 -3.323 14.679 17.017 1.00 0.00 H new ATOM 0 HB THR A 82 -1.923 13.985 19.625 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.561 16.183 20.221 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.483 15.882 19.034 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.453 14.624 17.776 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.399 16.111 17.526 1.00 0.00 H new ATOM 1200 N ILE A 83 -2.243 12.612 16.078 1.00 0.00 N ATOM 1201 CA ILE A 83 -1.636 11.428 15.518 1.00 0.00 C ATOM 1202 C ILE A 83 -0.378 11.800 14.764 1.00 0.00 C ATOM 1203 O ILE A 83 -0.365 12.760 14.010 1.00 0.00 O ATOM 1204 CB ILE A 83 -2.622 10.701 14.551 1.00 0.00 C ATOM 1205 CG1 ILE A 83 -3.900 10.256 15.285 1.00 0.00 C ATOM 1206 CG2 ILE A 83 -1.964 9.512 13.858 1.00 0.00 C ATOM 1207 CD1 ILE A 83 -3.674 9.259 16.415 1.00 0.00 C ATOM 0 H ILE A 83 -2.527 13.309 15.389 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.388 10.754 16.338 1.00 0.00 H new ATOM 0 HB ILE A 83 -2.901 11.422 13.783 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.395 11.138 15.691 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.583 9.813 14.560 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.684 9.034 13.194 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.108 9.857 13.277 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.629 8.794 14.607 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.630 9.005 16.872 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.211 8.356 16.017 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -3.019 9.702 17.166 1.00 0.00 H new ATOM 1219 N VAL A 84 0.669 11.070 14.983 1.00 0.00 N ATOM 1220 CA VAL A 84 1.874 11.288 14.247 1.00 0.00 C ATOM 1221 C VAL A 84 1.927 10.252 13.127 1.00 0.00 C ATOM 1222 O VAL A 84 1.585 9.082 13.339 1.00 0.00 O ATOM 1223 CB VAL A 84 3.137 11.232 15.162 1.00 0.00 C ATOM 1224 CG1 VAL A 84 3.323 9.871 15.815 1.00 0.00 C ATOM 1225 CG2 VAL A 84 4.385 11.657 14.410 1.00 0.00 C ATOM 0 H VAL A 84 0.714 10.315 15.668 1.00 0.00 H new ATOM 0 HA VAL A 84 1.873 12.291 13.821 1.00 0.00 H new ATOM 0 HB VAL A 84 2.970 11.947 15.968 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.216 9.886 16.440 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.453 9.640 16.430 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.434 9.109 15.043 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.246 11.607 15.076 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.543 10.991 13.562 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.263 12.679 14.051 1.00 0.00 H new ATOM 1235 N TYR A 85 2.275 10.668 11.942 1.00 0.00 N ATOM 1236 CA TYR A 85 2.307 9.751 10.844 1.00 0.00 C ATOM 1237 C TYR A 85 3.718 9.447 10.396 1.00 0.00 C ATOM 1238 O TYR A 85 4.666 10.201 10.706 1.00 0.00 O ATOM 1239 CB TYR A 85 1.378 10.169 9.680 1.00 0.00 C ATOM 1240 CG TYR A 85 1.614 11.544 9.063 1.00 0.00 C ATOM 1241 CD1 TYR A 85 2.696 11.777 8.244 1.00 0.00 C ATOM 1242 CD2 TYR A 85 0.713 12.590 9.265 1.00 0.00 C ATOM 1243 CE1 TYR A 85 2.890 12.998 7.642 1.00 0.00 C ATOM 1244 CE2 TYR A 85 0.905 13.827 8.666 1.00 0.00 C ATOM 1245 CZ TYR A 85 1.999 14.021 7.853 1.00 0.00 C ATOM 1246 OH TYR A 85 2.203 15.241 7.223 1.00 0.00 O ATOM 0 H TYR A 85 2.538 11.627 11.715 1.00 0.00 H new ATOM 0 HA TYR A 85 1.896 8.812 11.216 1.00 0.00 H new ATOM 0 HB2 TYR A 85 1.469 9.423 8.890 1.00 0.00 H new ATOM 0 HB3 TYR A 85 0.349 10.131 10.038 1.00 0.00 H new ATOM 0 HD1 TYR A 85 3.408 10.984 8.071 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -0.148 12.434 9.898 1.00 0.00 H new ATOM 0 HE1 TYR A 85 3.746 13.153 7.001 1.00 0.00 H new ATOM 0 HE2 TYR A 85 0.203 14.630 8.836 1.00 0.00 H new ATOM 0 HH TYR A 85 2.848 15.129 6.494 1.00 0.00 H new ATOM 1256 N ASP A 86 3.849 8.345 9.689 1.00 0.00 N ATOM 1257 CA ASP A 86 5.139 7.837 9.229 1.00 0.00 C ATOM 1258 C ASP A 86 5.143 7.638 7.723 1.00 0.00 C ATOM 1259 O ASP A 86 6.130 7.901 7.045 1.00 0.00 O ATOM 1260 CB ASP A 86 5.423 6.495 9.928 1.00 0.00 C ATOM 1261 CG ASP A 86 6.664 5.779 9.420 1.00 0.00 C ATOM 1262 OD1 ASP A 86 7.788 6.201 9.748 1.00 0.00 O ATOM 1263 OD2 ASP A 86 6.526 4.721 8.734 1.00 0.00 O ATOM 0 H ASP A 86 3.058 7.764 9.410 1.00 0.00 H new ATOM 0 HA ASP A 86 5.912 8.565 9.476 1.00 0.00 H new ATOM 0 HB2 ASP A 86 5.531 6.671 10.998 1.00 0.00 H new ATOM 0 HB3 ASP A 86 4.561 5.841 9.798 1.00 0.00 H new ATOM 1268 N GLU A 87 4.035 7.201 7.208 1.00 0.00 N ATOM 1269 CA GLU A 87 3.918 6.875 5.818 1.00 0.00 C ATOM 1270 C GLU A 87 2.874 7.778 5.185 1.00 0.00 C ATOM 1271 O GLU A 87 1.818 7.982 5.749 1.00 0.00 O ATOM 1272 CB GLU A 87 3.502 5.408 5.738 1.00 0.00 C ATOM 1273 CG GLU A 87 3.490 4.767 4.367 1.00 0.00 C ATOM 1274 CD GLU A 87 3.191 3.290 4.484 1.00 0.00 C ATOM 1275 OE1 GLU A 87 3.941 2.586 5.192 1.00 0.00 O ATOM 1276 OE2 GLU A 87 2.192 2.810 3.940 1.00 0.00 O ATOM 0 H GLU A 87 3.179 7.059 7.744 1.00 0.00 H new ATOM 0 HA GLU A 87 4.856 7.023 5.283 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.173 4.831 6.375 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.502 5.317 6.163 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.741 5.249 3.739 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.455 4.913 3.881 1.00 0.00 H new ATOM 1283 N VAL A 88 3.190 8.362 4.073 1.00 0.00 N ATOM 1284 CA VAL A 88 2.243 9.187 3.357 1.00 0.00 C ATOM 1285 C VAL A 88 2.075 8.603 1.984 1.00 0.00 C ATOM 1286 O VAL A 88 3.059 8.404 1.277 1.00 0.00 O ATOM 1287 CB VAL A 88 2.718 10.664 3.256 1.00 0.00 C ATOM 1288 CG1 VAL A 88 1.736 11.498 2.455 1.00 0.00 C ATOM 1289 CG2 VAL A 88 2.865 11.255 4.636 1.00 0.00 C ATOM 0 H VAL A 88 4.105 8.287 3.629 1.00 0.00 H new ATOM 0 HA VAL A 88 1.296 9.198 3.897 1.00 0.00 H new ATOM 0 HB VAL A 88 3.682 10.673 2.747 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.092 12.527 2.400 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.649 11.090 1.448 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.760 11.478 2.941 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.198 12.290 4.555 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.904 11.222 5.150 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.599 10.681 5.201 1.00 0.00 H new ATOM 1299 N CYS A 89 0.862 8.319 1.612 1.00 0.00 N ATOM 1300 CA CYS A 89 0.605 7.673 0.363 1.00 0.00 C ATOM 1301 C CYS A 89 -0.535 8.331 -0.408 1.00 0.00 C ATOM 1302 O CYS A 89 -1.527 8.759 0.171 1.00 0.00 O ATOM 1303 CB CYS A 89 0.335 6.190 0.611 1.00 0.00 C ATOM 1304 SG CYS A 89 -0.951 5.871 1.833 1.00 0.00 S ATOM 0 H CYS A 89 0.029 8.528 2.163 1.00 0.00 H new ATOM 0 HA CYS A 89 1.488 7.777 -0.267 1.00 0.00 H new ATOM 0 HB2 CYS A 89 0.051 5.721 -0.331 1.00 0.00 H new ATOM 0 HB3 CYS A 89 1.259 5.713 0.938 1.00 0.00 H new ATOM 0 HG CYS A 89 -1.176 6.952 2.519 1.00 0.00 H new ATOM 1310 N ILE A 90 -0.369 8.428 -1.699 1.00 0.00 N ATOM 1311 CA ILE A 90 -1.370 8.995 -2.564 1.00 0.00 C ATOM 1312 C ILE A 90 -2.125 7.874 -3.252 1.00 0.00 C ATOM 1313 O ILE A 90 -1.544 7.077 -4.011 1.00 0.00 O ATOM 1314 CB ILE A 90 -0.767 9.949 -3.648 1.00 0.00 C ATOM 1315 CG1 ILE A 90 -0.052 11.137 -2.987 1.00 0.00 C ATOM 1316 CG2 ILE A 90 -1.864 10.452 -4.598 1.00 0.00 C ATOM 1317 CD1 ILE A 90 0.603 12.098 -3.969 1.00 0.00 C ATOM 0 H ILE A 90 0.471 8.114 -2.185 1.00 0.00 H new ATOM 0 HA ILE A 90 -2.036 9.593 -1.941 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.038 9.384 -4.228 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -0.772 11.688 -2.382 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.710 10.755 -2.307 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.424 11.114 -5.344 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.331 9.603 -5.097 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.617 10.997 -4.028 1.00 0.00 H new ATOM 0 HD11 ILE A 90 1.085 12.907 -3.420 1.00 0.00 H new ATOM 0 HD12 ILE A 90 1.349 11.564 -4.558 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.155 12.512 -4.634 1.00 0.00 H new ATOM 1329 N GLN A 91 -3.384 7.786 -2.948 1.00 0.00 N ATOM 1330 CA GLN A 91 -4.268 6.851 -3.571 1.00 0.00 C ATOM 1331 C GLN A 91 -5.323 7.689 -4.259 1.00 0.00 C ATOM 1332 O GLN A 91 -5.660 8.757 -3.762 1.00 0.00 O ATOM 1333 CB GLN A 91 -4.879 5.902 -2.517 1.00 0.00 C ATOM 1334 CG GLN A 91 -5.829 4.847 -3.064 1.00 0.00 C ATOM 1335 CD GLN A 91 -5.181 3.938 -4.102 1.00 0.00 C ATOM 1336 OE1 GLN A 91 -5.173 4.252 -5.289 1.00 0.00 O ATOM 1337 NE2 GLN A 91 -4.687 2.794 -3.685 1.00 0.00 N ATOM 0 H GLN A 91 -3.834 8.374 -2.246 1.00 0.00 H new ATOM 0 HA GLN A 91 -3.755 6.210 -4.288 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -4.067 5.399 -1.992 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -5.413 6.501 -1.779 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -6.201 4.239 -2.239 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -6.692 5.341 -3.511 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -4.708 2.561 -2.692 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -4.283 2.139 -4.354 1.00 0.00 H new ATOM 1346 N ALA A 92 -5.795 7.253 -5.399 1.00 0.00 N ATOM 1347 CA ALA A 92 -6.734 8.038 -6.189 1.00 0.00 C ATOM 1348 C ALA A 92 -8.000 8.400 -5.399 1.00 0.00 C ATOM 1349 O ALA A 92 -8.869 7.546 -5.158 1.00 0.00 O ATOM 1350 CB ALA A 92 -7.086 7.293 -7.463 1.00 0.00 C ATOM 0 H ALA A 92 -5.548 6.353 -5.811 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.246 8.978 -6.446 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.789 7.886 -8.049 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.181 7.122 -8.046 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.542 6.335 -7.211 1.00 0.00 H new ATOM 1356 N GLY A 93 -8.066 9.659 -4.973 1.00 0.00 N ATOM 1357 CA GLY A 93 -9.212 10.153 -4.257 1.00 0.00 C ATOM 1358 C GLY A 93 -8.835 10.867 -2.966 1.00 0.00 C ATOM 1359 O GLY A 93 -9.437 11.878 -2.608 1.00 0.00 O ATOM 0 H GLY A 93 -7.329 10.349 -5.118 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.768 10.838 -4.897 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.878 9.321 -4.026 1.00 0.00 H new ATOM 1363 N HIS A 94 -7.833 10.358 -2.264 1.00 0.00 N ATOM 1364 CA HIS A 94 -7.426 10.919 -0.959 1.00 0.00 C ATOM 1365 C HIS A 94 -5.966 10.640 -0.709 1.00 0.00 C ATOM 1366 O HIS A 94 -5.421 9.665 -1.219 1.00 0.00 O ATOM 1367 CB HIS A 94 -8.244 10.321 0.231 1.00 0.00 C ATOM 1368 CG HIS A 94 -9.704 10.681 0.264 1.00 0.00 C ATOM 1369 ND1 HIS A 94 -10.718 9.774 0.051 1.00 0.00 N ATOM 1370 CD2 HIS A 94 -10.316 11.864 0.480 1.00 0.00 C ATOM 1371 CE1 HIS A 94 -11.876 10.388 0.118 1.00 0.00 C ATOM 1372 NE2 HIS A 94 -11.663 11.654 0.376 1.00 0.00 N ATOM 0 H HIS A 94 -7.279 9.557 -2.566 1.00 0.00 H new ATOM 0 HA HIS A 94 -7.618 11.991 -1.009 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -8.157 9.235 0.198 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -7.786 10.650 1.164 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -10.589 8.779 -0.131 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -9.831 12.804 0.696 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -12.843 9.926 -0.017 1.00 0.00 H new ATOM 1381 N ILE A 95 -5.344 11.474 0.066 1.00 0.00 N ATOM 1382 CA ILE A 95 -3.983 11.242 0.452 1.00 0.00 C ATOM 1383 C ILE A 95 -4.017 10.587 1.825 1.00 0.00 C ATOM 1384 O ILE A 95 -4.533 11.141 2.773 1.00 0.00 O ATOM 1385 CB ILE A 95 -3.122 12.553 0.425 1.00 0.00 C ATOM 1386 CG1 ILE A 95 -1.668 12.273 0.838 1.00 0.00 C ATOM 1387 CG2 ILE A 95 -3.738 13.660 1.279 1.00 0.00 C ATOM 1388 CD1 ILE A 95 -0.750 13.478 0.733 1.00 0.00 C ATOM 0 H ILE A 95 -5.758 12.325 0.446 1.00 0.00 H new ATOM 0 HA ILE A 95 -3.492 10.583 -0.264 1.00 0.00 H new ATOM 0 HB ILE A 95 -3.114 12.910 -0.605 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -1.657 11.910 1.866 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -1.272 11.473 0.213 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -3.109 14.549 1.231 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -4.733 13.899 0.903 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -3.812 13.323 2.313 1.00 0.00 H new ATOM 0 HD11 ILE A 95 0.257 13.197 1.042 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.728 13.830 -0.298 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.119 14.274 1.380 1.00 0.00 H new ATOM 1400 N TRP A 96 -3.527 9.403 1.906 1.00 0.00 N ATOM 1401 CA TRP A 96 -3.664 8.634 3.105 1.00 0.00 C ATOM 1402 C TRP A 96 -2.406 8.675 3.910 1.00 0.00 C ATOM 1403 O TRP A 96 -1.297 8.523 3.370 1.00 0.00 O ATOM 1404 CB TRP A 96 -4.021 7.181 2.779 1.00 0.00 C ATOM 1405 CG TRP A 96 -5.256 7.033 1.949 1.00 0.00 C ATOM 1406 CD1 TRP A 96 -5.336 7.136 0.603 1.00 0.00 C ATOM 1407 CD2 TRP A 96 -6.577 6.748 2.406 1.00 0.00 C ATOM 1408 NE1 TRP A 96 -6.626 6.954 0.188 1.00 0.00 N ATOM 1409 CE2 TRP A 96 -7.407 6.709 1.274 1.00 0.00 C ATOM 1410 CE3 TRP A 96 -7.143 6.526 3.655 1.00 0.00 C ATOM 1411 CZ2 TRP A 96 -8.762 6.461 1.354 1.00 0.00 C ATOM 1412 CZ3 TRP A 96 -8.495 6.278 3.732 1.00 0.00 C ATOM 1413 CH2 TRP A 96 -9.291 6.247 2.585 1.00 0.00 C ATOM 0 H TRP A 96 -3.022 8.936 1.153 1.00 0.00 H new ATOM 0 HA TRP A 96 -4.471 9.074 3.691 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -3.184 6.721 2.254 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -4.153 6.632 3.711 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -4.500 7.334 -0.051 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -6.950 6.995 -0.778 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -6.535 6.548 4.547 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -9.380 6.438 0.468 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -8.948 6.104 4.697 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -10.348 6.049 2.680 1.00 0.00 H new ATOM 1424 N ILE A 97 -2.553 8.893 5.176 1.00 0.00 N ATOM 1425 CA ILE A 97 -1.434 8.839 6.057 1.00 0.00 C ATOM 1426 C ILE A 97 -1.440 7.499 6.771 1.00 0.00 C ATOM 1427 O ILE A 97 -2.454 7.089 7.349 1.00 0.00 O ATOM 1428 CB ILE A 97 -1.380 10.009 7.090 1.00 0.00 C ATOM 1429 CG1 ILE A 97 -2.622 10.019 8.000 1.00 0.00 C ATOM 1430 CG2 ILE A 97 -1.236 11.344 6.359 1.00 0.00 C ATOM 1431 CD1 ILE A 97 -2.533 10.979 9.172 1.00 0.00 C ATOM 0 H ILE A 97 -3.443 9.111 5.625 1.00 0.00 H new ATOM 0 HA ILE A 97 -0.538 8.952 5.447 1.00 0.00 H new ATOM 0 HB ILE A 97 -0.510 9.857 7.729 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -3.495 10.277 7.400 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.785 9.012 8.383 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -1.199 12.155 7.086 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -0.317 11.340 5.773 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -2.089 11.490 5.696 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -3.449 10.922 9.760 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -1.682 10.710 9.799 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -2.403 11.996 8.801 1.00 0.00 H new ATOM 1443 N GLY A 98 -0.352 6.814 6.667 1.00 0.00 N ATOM 1444 CA GLY A 98 -0.200 5.548 7.278 1.00 0.00 C ATOM 1445 C GLY A 98 0.553 5.680 8.561 1.00 0.00 C ATOM 1446 O GLY A 98 1.657 6.270 8.603 1.00 0.00 O ATOM 0 H GLY A 98 0.467 7.128 6.146 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.179 5.107 7.466 1.00 0.00 H new ATOM 0 HA3 GLY A 98 0.329 4.873 6.605 1.00 0.00 H new ATOM 1450 N TYR A 99 -0.025 5.187 9.599 1.00 0.00 N ATOM 1451 CA TYR A 99 0.572 5.239 10.892 1.00 0.00 C ATOM 1452 C TYR A 99 0.371 3.936 11.619 1.00 0.00 C ATOM 1453 O TYR A 99 -0.340 3.052 11.143 1.00 0.00 O ATOM 1454 CB TYR A 99 0.044 6.438 11.705 1.00 0.00 C ATOM 1455 CG TYR A 99 -1.470 6.536 11.818 1.00 0.00 C ATOM 1456 CD1 TYR A 99 -2.159 5.930 12.863 1.00 0.00 C ATOM 1457 CD2 TYR A 99 -2.203 7.263 10.886 1.00 0.00 C ATOM 1458 CE1 TYR A 99 -3.533 6.044 12.971 1.00 0.00 C ATOM 1459 CE2 TYR A 99 -3.571 7.385 10.990 1.00 0.00 C ATOM 1460 CZ TYR A 99 -4.233 6.775 12.030 1.00 0.00 C ATOM 1461 OH TYR A 99 -5.603 6.902 12.141 1.00 0.00 O ATOM 0 H TYR A 99 -0.937 4.730 9.577 1.00 0.00 H new ATOM 0 HA TYR A 99 1.645 5.388 10.769 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.463 6.386 12.710 1.00 0.00 H new ATOM 0 HB3 TYR A 99 0.417 7.356 11.250 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -1.613 5.362 13.601 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -1.690 7.741 10.065 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -4.056 5.565 13.786 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -4.122 7.957 10.258 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.884 7.759 11.758 1.00 0.00 H new ATOM 1471 N ASN A 100 0.997 3.821 12.742 1.00 0.00 N ATOM 1472 CA ASN A 100 0.948 2.635 13.557 1.00 0.00 C ATOM 1473 C ASN A 100 0.278 2.925 14.884 1.00 0.00 C ATOM 1474 O ASN A 100 0.704 3.802 15.630 1.00 0.00 O ATOM 1475 CB ASN A 100 2.364 2.031 13.734 1.00 0.00 C ATOM 1476 CG ASN A 100 3.440 3.078 14.033 1.00 0.00 C ATOM 1477 OD1 ASN A 100 4.040 3.636 13.106 1.00 0.00 O ATOM 1478 ND2 ASN A 100 3.694 3.361 15.286 1.00 0.00 N ATOM 0 H ASN A 100 1.574 4.564 13.136 1.00 0.00 H new ATOM 0 HA ASN A 100 0.342 1.885 13.048 1.00 0.00 H new ATOM 0 HB2 ASN A 100 2.341 1.303 14.545 1.00 0.00 H new ATOM 0 HB3 ASN A 100 2.636 1.490 12.827 1.00 0.00 H new ATOM 0 HD21 ASN A 100 4.402 4.057 15.518 1.00 0.00 H new ATOM 0 HD22 ASN A 100 3.184 2.885 16.030 1.00 0.00 H new ATOM 1485 N ALA A 101 -0.803 2.228 15.136 1.00 0.00 N ATOM 1486 CA ALA A 101 -1.565 2.390 16.361 1.00 0.00 C ATOM 1487 C ALA A 101 -1.071 1.437 17.460 1.00 0.00 C ATOM 1488 O ALA A 101 -0.089 0.716 17.268 1.00 0.00 O ATOM 1489 CB ALA A 101 -3.050 2.197 16.096 1.00 0.00 C ATOM 0 H ALA A 101 -1.184 1.529 14.499 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.411 3.408 16.720 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -3.605 2.322 17.026 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.389 2.935 15.369 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.222 1.195 15.703 1.00 0.00 H new ATOM 1495 N TYR A 102 -1.778 1.437 18.578 1.00 0.00 N ATOM 1496 CA TYR A 102 -1.470 0.671 19.809 1.00 0.00 C ATOM 1497 C TYR A 102 -1.078 -0.818 19.611 1.00 0.00 C ATOM 1498 O TYR A 102 -0.302 -1.354 20.393 1.00 0.00 O ATOM 1499 CB TYR A 102 -2.635 0.799 20.820 1.00 0.00 C ATOM 1500 CG TYR A 102 -3.992 0.323 20.305 1.00 0.00 C ATOM 1501 CD1 TYR A 102 -4.816 1.166 19.567 1.00 0.00 C ATOM 1502 CD2 TYR A 102 -4.444 -0.960 20.565 1.00 0.00 C ATOM 1503 CE1 TYR A 102 -6.042 0.743 19.104 1.00 0.00 C ATOM 1504 CE2 TYR A 102 -5.671 -1.392 20.101 1.00 0.00 C ATOM 1505 CZ TYR A 102 -6.464 -0.535 19.374 1.00 0.00 C ATOM 1506 OH TYR A 102 -7.688 -0.959 18.919 1.00 0.00 O ATOM 0 H TYR A 102 -2.627 1.994 18.673 1.00 0.00 H new ATOM 0 HA TYR A 102 -0.563 1.132 20.200 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -2.383 0.231 21.715 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -2.723 1.843 21.120 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -4.488 2.172 19.353 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -3.827 -1.634 21.140 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -6.667 1.412 18.532 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -6.006 -2.398 20.308 1.00 0.00 H new ATOM 0 HH TYR A 102 -7.835 -1.888 19.194 1.00 0.00 H new ATOM 1516 N ASN A 103 -1.616 -1.491 18.609 1.00 0.00 N ATOM 1517 CA ASN A 103 -1.264 -2.909 18.398 1.00 0.00 C ATOM 1518 C ASN A 103 -0.377 -3.048 17.149 1.00 0.00 C ATOM 1519 O ASN A 103 -0.173 -4.139 16.609 1.00 0.00 O ATOM 1520 CB ASN A 103 -2.547 -3.772 18.264 1.00 0.00 C ATOM 1521 CG ASN A 103 -2.272 -5.281 18.259 1.00 0.00 C ATOM 1522 OD1 ASN A 103 -1.338 -5.761 18.901 1.00 0.00 O ATOM 1523 ND2 ASN A 103 -3.068 -6.023 17.539 1.00 0.00 N ATOM 0 H ASN A 103 -2.281 -1.104 17.939 1.00 0.00 H new ATOM 0 HA ASN A 103 -0.705 -3.268 19.262 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -3.221 -3.536 19.087 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -3.062 -3.502 17.342 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -2.925 -7.032 17.497 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -3.833 -5.594 17.018 1.00 0.00 H new ATOM 1530 N GLY A 104 0.167 -1.938 16.701 1.00 0.00 N ATOM 1531 CA GLY A 104 0.979 -1.953 15.503 1.00 0.00 C ATOM 1532 C GLY A 104 0.102 -1.930 14.280 1.00 0.00 C ATOM 1533 O GLY A 104 0.492 -2.374 13.199 1.00 0.00 O ATOM 0 H GLY A 104 0.064 -1.024 17.141 1.00 0.00 H new ATOM 0 HA2 GLY A 104 1.647 -1.092 15.497 1.00 0.00 H new ATOM 0 HA3 GLY A 104 1.607 -2.844 15.492 1.00 0.00 H new ATOM 1537 N ASN A 105 -1.110 -1.449 14.479 1.00 0.00 N ATOM 1538 CA ASN A 105 -2.108 -1.378 13.442 1.00 0.00 C ATOM 1539 C ASN A 105 -1.682 -0.375 12.420 1.00 0.00 C ATOM 1540 O ASN A 105 -1.459 0.789 12.764 1.00 0.00 O ATOM 1541 CB ASN A 105 -3.445 -0.922 14.020 1.00 0.00 C ATOM 1542 CG ASN A 105 -3.869 -1.689 15.246 1.00 0.00 C ATOM 1543 OD1 ASN A 105 -3.525 -1.310 16.378 1.00 0.00 O ATOM 1544 ND2 ASN A 105 -4.596 -2.751 15.055 1.00 0.00 N ATOM 0 H ASN A 105 -1.429 -1.093 15.380 1.00 0.00 H new ATOM 0 HA ASN A 105 -2.217 -2.367 12.997 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -3.381 0.137 14.269 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -4.215 -1.023 13.255 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -4.906 -3.307 15.852 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -4.856 -3.027 14.108 1.00 0.00 H new ATOM 1551 N ARG A 106 -1.538 -0.801 11.190 1.00 0.00 N ATOM 1552 CA ARG A 106 -1.164 0.106 10.143 1.00 0.00 C ATOM 1553 C ARG A 106 -2.448 0.732 9.629 1.00 0.00 C ATOM 1554 O ARG A 106 -3.171 0.139 8.823 1.00 0.00 O ATOM 1555 CB ARG A 106 -0.420 -0.639 9.018 1.00 0.00 C ATOM 1556 CG ARG A 106 0.452 0.247 8.127 1.00 0.00 C ATOM 1557 CD ARG A 106 1.596 0.853 8.935 1.00 0.00 C ATOM 1558 NE ARG A 106 2.562 1.611 8.121 1.00 0.00 N ATOM 1559 CZ ARG A 106 3.588 2.329 8.629 1.00 0.00 C ATOM 1560 NH1 ARG A 106 3.773 2.380 9.952 1.00 0.00 N ATOM 1561 NH2 ARG A 106 4.430 2.965 7.812 1.00 0.00 N ATOM 0 H ARG A 106 -1.674 -1.767 10.893 1.00 0.00 H new ATOM 0 HA ARG A 106 -0.484 0.873 10.513 1.00 0.00 H new ATOM 0 HB2 ARG A 106 0.208 -1.409 9.466 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -1.153 -1.149 8.393 1.00 0.00 H new ATOM 0 HG2 ARG A 106 0.853 -0.340 7.301 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -0.153 1.041 7.689 1.00 0.00 H new ATOM 0 HD2 ARG A 106 1.181 1.512 9.697 1.00 0.00 H new ATOM 0 HD3 ARG A 106 2.123 0.054 9.457 1.00 0.00 H new ATOM 0 HE ARG A 106 2.449 1.593 7.107 1.00 0.00 H new ATOM 0 HH11 ARG A 106 3.141 1.878 10.575 1.00 0.00 H new ATOM 0 HH12 ARG A 106 4.547 2.921 10.338 1.00 0.00 H new ATOM 0 HH21 ARG A 106 4.300 2.910 6.802 1.00 0.00 H new ATOM 0 HH22 ARG A 106 5.204 3.506 8.198 1.00 0.00 H new ATOM 1575 N VAL A 107 -2.753 1.881 10.142 1.00 0.00 N ATOM 1576 CA VAL A 107 -3.995 2.551 9.835 1.00 0.00 C ATOM 1577 C VAL A 107 -3.731 3.665 8.849 1.00 0.00 C ATOM 1578 O VAL A 107 -2.684 4.316 8.914 1.00 0.00 O ATOM 1579 CB VAL A 107 -4.655 3.128 11.126 1.00 0.00 C ATOM 1580 CG1 VAL A 107 -6.019 3.737 10.834 1.00 0.00 C ATOM 1581 CG2 VAL A 107 -4.782 2.054 12.197 1.00 0.00 C ATOM 0 H VAL A 107 -2.151 2.390 10.789 1.00 0.00 H new ATOM 0 HA VAL A 107 -4.684 1.827 9.399 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.003 3.919 11.496 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -6.448 4.128 11.757 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -5.909 4.547 10.113 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -6.678 2.972 10.423 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -5.245 2.481 13.087 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.400 1.238 11.822 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -3.792 1.673 12.450 1.00 0.00 H new ATOM 1591 N TYR A 108 -4.645 3.851 7.930 1.00 0.00 N ATOM 1592 CA TYR A 108 -4.535 4.859 6.911 1.00 0.00 C ATOM 1593 C TYR A 108 -5.682 5.842 7.023 1.00 0.00 C ATOM 1594 O TYR A 108 -6.849 5.466 6.878 1.00 0.00 O ATOM 1595 CB TYR A 108 -4.515 4.213 5.520 1.00 0.00 C ATOM 1596 CG TYR A 108 -3.272 3.403 5.233 1.00 0.00 C ATOM 1597 CD1 TYR A 108 -3.154 2.081 5.651 1.00 0.00 C ATOM 1598 CD2 TYR A 108 -2.209 3.966 4.550 1.00 0.00 C ATOM 1599 CE1 TYR A 108 -2.012 1.352 5.388 1.00 0.00 C ATOM 1600 CE2 TYR A 108 -1.068 3.243 4.283 1.00 0.00 C ATOM 1601 CZ TYR A 108 -0.975 1.939 4.701 1.00 0.00 C ATOM 1602 OH TYR A 108 0.172 1.222 4.438 1.00 0.00 O ATOM 0 H TYR A 108 -5.499 3.297 7.870 1.00 0.00 H new ATOM 0 HA TYR A 108 -3.599 5.399 7.053 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -5.388 3.568 5.418 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -4.608 4.995 4.767 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -3.968 1.619 6.189 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -2.275 4.992 4.220 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -1.933 0.327 5.720 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -0.250 3.700 3.747 1.00 0.00 H new ATOM 0 HH TYR A 108 0.862 1.824 4.089 1.00 0.00 H new ATOM 1612 N CYS A 109 -5.361 7.073 7.311 1.00 0.00 N ATOM 1613 CA CYS A 109 -6.360 8.113 7.448 1.00 0.00 C ATOM 1614 C CYS A 109 -6.414 8.935 6.162 1.00 0.00 C ATOM 1615 O CYS A 109 -5.370 9.299 5.628 1.00 0.00 O ATOM 1616 CB CYS A 109 -6.056 9.001 8.672 1.00 0.00 C ATOM 1617 SG CYS A 109 -7.274 10.299 9.012 1.00 0.00 S ATOM 0 H CYS A 109 -4.403 7.390 7.458 1.00 0.00 H new ATOM 0 HA CYS A 109 -7.337 7.659 7.612 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -5.975 8.363 9.552 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -5.082 9.469 8.527 1.00 0.00 H new ATOM 0 HG CYS A 109 -6.909 10.973 10.062 1.00 0.00 H new ATOM 1623 N PRO A 110 -7.635 9.217 5.640 1.00 0.00 N ATOM 1624 CA PRO A 110 -7.823 9.934 4.363 1.00 0.00 C ATOM 1625 C PRO A 110 -7.432 11.405 4.424 1.00 0.00 C ATOM 1626 O PRO A 110 -7.163 11.993 3.392 1.00 0.00 O ATOM 1627 CB PRO A 110 -9.326 9.800 4.099 1.00 0.00 C ATOM 1628 CG PRO A 110 -9.922 9.633 5.447 1.00 0.00 C ATOM 1629 CD PRO A 110 -8.930 8.838 6.242 1.00 0.00 C ATOM 0 HA PRO A 110 -7.187 9.516 3.583 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -9.722 10.682 3.596 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -9.543 8.944 3.460 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -10.110 10.600 5.913 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -10.880 9.116 5.389 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -8.970 9.088 7.302 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -9.114 7.767 6.160 1.00 0.00 H new ATOM 1637 N VAL A 111 -7.454 11.971 5.652 1.00 0.00 N ATOM 1638 CA VAL A 111 -7.072 13.376 6.022 1.00 0.00 C ATOM 1639 C VAL A 111 -7.669 14.543 5.177 1.00 0.00 C ATOM 1640 O VAL A 111 -8.261 15.480 5.736 1.00 0.00 O ATOM 1641 CB VAL A 111 -5.541 13.570 6.271 1.00 0.00 C ATOM 1642 CG1 VAL A 111 -5.078 12.669 7.379 1.00 0.00 C ATOM 1643 CG2 VAL A 111 -4.697 13.338 5.027 1.00 0.00 C ATOM 0 H VAL A 111 -7.755 11.438 6.468 1.00 0.00 H new ATOM 0 HA VAL A 111 -7.591 13.471 6.976 1.00 0.00 H new ATOM 0 HB VAL A 111 -5.403 14.613 6.555 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.010 12.813 7.543 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -5.621 12.908 8.293 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -5.266 11.631 7.106 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -3.645 13.489 5.268 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -4.846 12.318 4.671 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -4.995 14.041 4.249 1.00 0.00 H new ATOM 1653 N ARG A 112 -7.509 14.494 3.879 1.00 0.00 N ATOM 1654 CA ARG A 112 -7.976 15.510 2.978 1.00 0.00 C ATOM 1655 C ARG A 112 -8.090 14.917 1.589 1.00 0.00 C ATOM 1656 O ARG A 112 -7.370 13.958 1.251 1.00 0.00 O ATOM 1657 CB ARG A 112 -7.009 16.723 2.963 1.00 0.00 C ATOM 1658 CG ARG A 112 -5.607 16.422 2.469 1.00 0.00 C ATOM 1659 CD ARG A 112 -4.700 17.635 2.574 1.00 0.00 C ATOM 1660 NE ARG A 112 -3.320 17.307 2.187 1.00 0.00 N ATOM 1661 CZ ARG A 112 -2.206 17.844 2.720 1.00 0.00 C ATOM 1662 NH1 ARG A 112 -2.280 18.853 3.601 1.00 0.00 N ATOM 1663 NH2 ARG A 112 -1.022 17.386 2.341 1.00 0.00 N ATOM 0 H ARG A 112 -7.036 13.722 3.409 1.00 0.00 H new ATOM 0 HA ARG A 112 -8.951 15.864 3.312 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -7.439 17.503 2.335 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -6.943 17.127 3.973 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -5.185 15.601 3.050 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -5.651 16.089 1.432 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -5.080 18.432 1.934 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -4.713 18.014 3.596 1.00 0.00 H new ATOM 0 HE ARG A 112 -3.196 16.612 1.451 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -3.189 19.224 3.876 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -1.427 19.249 3.996 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -0.962 16.635 1.653 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -0.171 17.784 2.737 1.00 0.00 H new ATOM 1677 N THR A 113 -8.995 15.429 0.808 1.00 0.00 N ATOM 1678 CA THR A 113 -9.120 15.009 -0.559 1.00 0.00 C ATOM 1679 C THR A 113 -7.910 15.518 -1.323 1.00 0.00 C ATOM 1680 O THR A 113 -7.451 16.649 -1.090 1.00 0.00 O ATOM 1681 CB THR A 113 -10.427 15.541 -1.176 1.00 0.00 C ATOM 1682 OG1 THR A 113 -11.532 15.087 -0.371 1.00 0.00 O ATOM 1683 CG2 THR A 113 -10.605 15.036 -2.605 1.00 0.00 C ATOM 0 H THR A 113 -9.663 16.144 1.096 1.00 0.00 H new ATOM 0 HA THR A 113 -9.159 13.921 -0.613 1.00 0.00 H new ATOM 0 HB THR A 113 -10.388 16.630 -1.201 1.00 0.00 H new ATOM 0 HG1 THR A 113 -12.372 15.419 -0.751 1.00 0.00 H new ATOM 0 HG21 THR A 113 -11.536 15.427 -3.016 1.00 0.00 H new ATOM 0 HG22 THR A 113 -9.768 15.373 -3.217 1.00 0.00 H new ATOM 0 HG23 THR A 113 -10.638 13.947 -2.604 1.00 0.00 H new ATOM 1691 N CYS A 114 -7.369 14.696 -2.167 1.00 0.00 N ATOM 1692 CA CYS A 114 -6.216 15.055 -2.894 1.00 0.00 C ATOM 1693 C CYS A 114 -6.177 14.280 -4.167 1.00 0.00 C ATOM 1694 O CYS A 114 -6.346 13.053 -4.167 1.00 0.00 O ATOM 1695 CB CYS A 114 -4.948 14.773 -2.066 1.00 0.00 C ATOM 1696 SG CYS A 114 -3.385 15.265 -2.855 1.00 0.00 S ATOM 0 H CYS A 114 -7.722 13.760 -2.364 1.00 0.00 H new ATOM 0 HA CYS A 114 -6.251 16.122 -3.116 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -5.034 15.292 -1.111 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -4.906 13.706 -1.847 1.00 0.00 H new ATOM 0 HG CYS A 114 -3.535 15.276 -4.146 1.00 0.00 H new ATOM 1702 N GLN A 115 -5.996 14.978 -5.242 1.00 0.00 N ATOM 1703 CA GLN A 115 -5.780 14.350 -6.484 1.00 0.00 C ATOM 1704 C GLN A 115 -4.287 14.356 -6.618 1.00 0.00 C ATOM 1705 O GLN A 115 -3.633 15.280 -6.093 1.00 0.00 O ATOM 1706 CB GLN A 115 -6.432 15.134 -7.635 1.00 0.00 C ATOM 1707 CG GLN A 115 -6.448 14.367 -8.954 1.00 0.00 C ATOM 1708 CD GLN A 115 -7.530 13.272 -9.048 1.00 0.00 C ATOM 1709 OE1 GLN A 115 -8.037 12.790 -7.936 1.00 0.00 O flip ATOM 1710 NE2 GLN A 115 -7.963 12.928 -10.143 1.00 0.00 N flip ATOM 0 H GLN A 115 -5.996 15.998 -5.273 1.00 0.00 H new ATOM 0 HA GLN A 115 -6.215 13.352 -6.530 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -7.455 15.389 -7.358 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -5.896 16.073 -7.775 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -6.595 15.075 -9.769 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -5.471 13.907 -9.104 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -7.557 13.313 -10.996 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -8.729 12.257 -10.201 1.00 0.00 H new ATOM 1719 N GLY A 116 -3.714 13.372 -7.211 1.00 0.00 N ATOM 1720 CA GLY A 116 -2.309 13.400 -7.266 1.00 0.00 C ATOM 1721 C GLY A 116 -1.702 12.430 -8.198 1.00 0.00 C ATOM 1722 O GLY A 116 -2.185 11.305 -8.372 1.00 0.00 O ATOM 0 H GLY A 116 -4.175 12.573 -7.646 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -1.991 14.403 -7.551 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -1.917 13.214 -6.266 1.00 0.00 H new ATOM 1726 N VAL A 117 -0.680 12.893 -8.813 1.00 0.00 N ATOM 1727 CA VAL A 117 0.195 12.132 -9.621 1.00 0.00 C ATOM 1728 C VAL A 117 1.585 12.514 -9.141 1.00 0.00 C ATOM 1729 O VAL A 117 2.093 13.579 -9.486 1.00 0.00 O ATOM 1730 CB VAL A 117 0.001 12.365 -11.174 1.00 0.00 C ATOM 1731 CG1 VAL A 117 -1.270 11.680 -11.659 1.00 0.00 C ATOM 1732 CG2 VAL A 117 -0.074 13.853 -11.527 1.00 0.00 C ATOM 0 H VAL A 117 -0.415 13.877 -8.762 1.00 0.00 H new ATOM 0 HA VAL A 117 -0.002 11.065 -9.514 1.00 0.00 H new ATOM 0 HB VAL A 117 0.872 11.936 -11.669 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -1.389 11.850 -12.729 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -1.202 10.609 -11.467 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -2.129 12.090 -11.129 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -0.207 13.965 -12.603 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -0.917 14.308 -11.007 1.00 0.00 H new ATOM 0 HG23 VAL A 117 0.849 14.346 -11.222 1.00 0.00 H new ATOM 1742 N PRO A 118 2.178 11.690 -8.256 1.00 0.00 N ATOM 1743 CA PRO A 118 3.421 12.026 -7.540 1.00 0.00 C ATOM 1744 C PRO A 118 4.529 12.563 -8.446 1.00 0.00 C ATOM 1745 O PRO A 118 4.713 12.087 -9.562 1.00 0.00 O ATOM 1746 CB PRO A 118 3.840 10.707 -6.887 1.00 0.00 C ATOM 1747 CG PRO A 118 3.019 9.670 -7.553 1.00 0.00 C ATOM 1748 CD PRO A 118 1.734 10.333 -7.913 1.00 0.00 C ATOM 0 HA PRO A 118 3.252 12.833 -6.828 1.00 0.00 H new ATOM 0 HB2 PRO A 118 4.904 10.518 -7.028 1.00 0.00 H new ATOM 0 HB3 PRO A 118 3.658 10.724 -5.812 1.00 0.00 H new ATOM 0 HG2 PRO A 118 3.521 9.285 -8.440 1.00 0.00 H new ATOM 0 HG3 PRO A 118 2.848 8.822 -6.890 1.00 0.00 H new ATOM 0 HD2 PRO A 118 1.241 9.841 -8.751 1.00 0.00 H new ATOM 0 HD3 PRO A 118 1.028 10.332 -7.083 1.00 0.00 H new ATOM 1756 N PRO A 119 5.268 13.579 -7.992 1.00 0.00 N ATOM 1757 CA PRO A 119 5.086 14.214 -6.676 1.00 0.00 C ATOM 1758 C PRO A 119 4.016 15.347 -6.660 1.00 0.00 C ATOM 1759 O PRO A 119 3.836 16.028 -5.632 1.00 0.00 O ATOM 1760 CB PRO A 119 6.487 14.794 -6.383 1.00 0.00 C ATOM 1761 CG PRO A 119 7.337 14.447 -7.581 1.00 0.00 C ATOM 1762 CD PRO A 119 6.387 14.168 -8.698 1.00 0.00 C ATOM 0 HA PRO A 119 4.720 13.500 -5.938 1.00 0.00 H new ATOM 0 HB2 PRO A 119 6.440 15.873 -6.237 1.00 0.00 H new ATOM 0 HB3 PRO A 119 6.904 14.366 -5.471 1.00 0.00 H new ATOM 0 HG2 PRO A 119 8.006 15.269 -7.835 1.00 0.00 H new ATOM 0 HG3 PRO A 119 7.963 13.578 -7.376 1.00 0.00 H new ATOM 0 HD2 PRO A 119 6.103 15.076 -9.230 1.00 0.00 H new ATOM 0 HD3 PRO A 119 6.811 13.486 -9.435 1.00 0.00 H new ATOM 1770 N ASN A 120 3.299 15.518 -7.776 1.00 0.00 N ATOM 1771 CA ASN A 120 2.261 16.566 -7.904 1.00 0.00 C ATOM 1772 C ASN A 120 1.053 16.240 -7.050 1.00 0.00 C ATOM 1773 O ASN A 120 0.244 15.366 -7.381 1.00 0.00 O ATOM 1774 CB ASN A 120 1.812 16.768 -9.366 1.00 0.00 C ATOM 1775 CG ASN A 120 2.861 17.405 -10.252 1.00 0.00 C ATOM 1776 OD1 ASN A 120 4.056 17.258 -10.033 1.00 0.00 O ATOM 1777 ND2 ASN A 120 2.421 18.104 -11.264 1.00 0.00 N ATOM 0 H ASN A 120 3.414 14.945 -8.612 1.00 0.00 H new ATOM 0 HA ASN A 120 2.715 17.494 -7.556 1.00 0.00 H new ATOM 0 HB2 ASN A 120 1.535 15.801 -9.787 1.00 0.00 H new ATOM 0 HB3 ASN A 120 0.916 17.389 -9.377 1.00 0.00 H new ATOM 0 HD21 ASN A 120 3.081 18.548 -11.902 1.00 0.00 H new ATOM 0 HD22 ASN A 120 1.417 18.205 -11.416 1.00 0.00 H new ATOM 1784 N HIS A 121 0.972 16.910 -5.943 1.00 0.00 N ATOM 1785 CA HIS A 121 -0.088 16.735 -4.976 1.00 0.00 C ATOM 1786 C HIS A 121 -1.089 17.900 -5.021 1.00 0.00 C ATOM 1787 O HIS A 121 -0.723 19.052 -4.762 1.00 0.00 O ATOM 1788 CB HIS A 121 0.506 16.509 -3.555 1.00 0.00 C ATOM 1789 CG HIS A 121 1.503 17.555 -3.095 1.00 0.00 C ATOM 1790 ND1 HIS A 121 2.835 17.558 -3.475 1.00 0.00 N ATOM 1791 CD2 HIS A 121 1.351 18.629 -2.290 1.00 0.00 C ATOM 1792 CE1 HIS A 121 3.443 18.585 -2.920 1.00 0.00 C ATOM 1793 NE2 HIS A 121 2.569 19.249 -2.199 1.00 0.00 N ATOM 0 H HIS A 121 1.656 17.616 -5.671 1.00 0.00 H new ATOM 0 HA HIS A 121 -0.653 15.840 -5.238 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -0.314 16.473 -2.838 1.00 0.00 H new ATOM 0 HB3 HIS A 121 0.992 15.534 -3.533 1.00 0.00 H new ATOM 0 HD1 HIS A 121 3.275 16.872 -4.088 1.00 0.00 H new ATOM 0 HD2 HIS A 121 0.437 18.941 -1.807 1.00 0.00 H new ATOM 0 HE1 HIS A 121 4.486 18.839 -3.038 1.00 0.00 H new ATOM 1802 N ILE A 122 -2.330 17.611 -5.358 1.00 0.00 N ATOM 1803 CA ILE A 122 -3.375 18.634 -5.415 1.00 0.00 C ATOM 1804 C ILE A 122 -4.370 18.410 -4.269 1.00 0.00 C ATOM 1805 O ILE A 122 -5.227 17.535 -4.364 1.00 0.00 O ATOM 1806 CB ILE A 122 -4.160 18.559 -6.759 1.00 0.00 C ATOM 1807 CG1 ILE A 122 -3.193 18.601 -7.945 1.00 0.00 C ATOM 1808 CG2 ILE A 122 -5.171 19.708 -6.851 1.00 0.00 C ATOM 1809 CD1 ILE A 122 -3.859 18.464 -9.305 1.00 0.00 C ATOM 0 H ILE A 122 -2.648 16.673 -5.599 1.00 0.00 H new ATOM 0 HA ILE A 122 -2.896 19.610 -5.331 1.00 0.00 H new ATOM 0 HB ILE A 122 -4.705 17.615 -6.791 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -2.643 19.542 -7.917 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -2.462 17.801 -7.830 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -5.712 19.642 -7.795 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -5.877 19.639 -6.023 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -4.644 20.661 -6.800 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -3.101 18.504 -10.087 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -4.385 17.511 -9.358 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -4.569 19.279 -9.446 1.00 0.00 H new ATOM 1821 N PRO A 123 -4.254 19.152 -3.163 1.00 0.00 N ATOM 1822 CA PRO A 123 -5.154 19.013 -2.030 1.00 0.00 C ATOM 1823 C PRO A 123 -6.445 19.830 -2.195 1.00 0.00 C ATOM 1824 O PRO A 123 -6.433 20.954 -2.734 1.00 0.00 O ATOM 1825 CB PRO A 123 -4.329 19.552 -0.841 1.00 0.00 C ATOM 1826 CG PRO A 123 -3.017 19.999 -1.423 1.00 0.00 C ATOM 1827 CD PRO A 123 -3.241 20.165 -2.897 1.00 0.00 C ATOM 0 HA PRO A 123 -5.485 17.982 -1.907 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -4.842 20.380 -0.352 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -4.179 18.780 -0.087 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -2.691 20.936 -0.972 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -2.236 19.264 -1.229 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -3.590 21.167 -3.147 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -2.330 19.992 -3.471 1.00 0.00 H new ATOM 1835 N GLY A 124 -7.535 19.259 -1.757 1.00 0.00 N ATOM 1836 CA GLY A 124 -8.804 19.925 -1.776 1.00 0.00 C ATOM 1837 C GLY A 124 -9.211 20.333 -0.381 1.00 0.00 C ATOM 1838 O GLY A 124 -8.539 21.156 0.248 1.00 0.00 O ATOM 0 H GLY A 124 -7.565 18.314 -1.375 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -8.749 20.805 -2.417 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -9.560 19.266 -2.203 1.00 0.00 H new ATOM 1842 N VAL A 125 -10.274 19.749 0.118 1.00 0.00 N ATOM 1843 CA VAL A 125 -10.764 20.057 1.453 1.00 0.00 C ATOM 1844 C VAL A 125 -10.099 19.148 2.489 1.00 0.00 C ATOM 1845 O VAL A 125 -10.056 17.920 2.318 1.00 0.00 O ATOM 1846 CB VAL A 125 -12.316 19.918 1.543 1.00 0.00 C ATOM 1847 CG1 VAL A 125 -12.822 20.217 2.952 1.00 0.00 C ATOM 1848 CG2 VAL A 125 -12.993 20.843 0.545 1.00 0.00 C ATOM 0 H VAL A 125 -10.825 19.051 -0.381 1.00 0.00 H new ATOM 0 HA VAL A 125 -10.505 21.094 1.665 1.00 0.00 H new ATOM 0 HB VAL A 125 -12.567 18.885 1.302 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -13.906 20.111 2.979 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -12.371 19.518 3.656 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -12.550 21.236 3.228 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -14.075 20.732 0.622 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -12.717 21.875 0.761 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -12.673 20.586 -0.465 1.00 0.00 H new ATOM 1858 N ALA A 126 -9.527 19.763 3.511 1.00 0.00 N ATOM 1859 CA ALA A 126 -8.908 19.052 4.604 1.00 0.00 C ATOM 1860 C ALA A 126 -9.894 18.876 5.743 1.00 0.00 C ATOM 1861 O ALA A 126 -10.698 19.780 6.025 1.00 0.00 O ATOM 1862 CB ALA A 126 -7.670 19.791 5.086 1.00 0.00 C ATOM 0 H ALA A 126 -9.482 20.778 3.601 1.00 0.00 H new ATOM 0 HA ALA A 126 -8.606 18.067 4.249 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -7.216 19.241 5.910 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -6.955 19.875 4.268 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -7.951 20.788 5.426 1.00 0.00 H new ATOM 1868 N TRP A 127 -9.838 17.743 6.407 1.00 0.00 N ATOM 1869 CA TRP A 127 -10.721 17.471 7.530 1.00 0.00 C ATOM 1870 C TRP A 127 -9.925 17.375 8.825 1.00 0.00 C ATOM 1871 O TRP A 127 -10.341 16.728 9.766 1.00 0.00 O ATOM 1872 CB TRP A 127 -11.505 16.173 7.301 1.00 0.00 C ATOM 1873 CG TRP A 127 -12.333 16.183 6.060 1.00 0.00 C ATOM 1874 CD1 TRP A 127 -13.380 17.009 5.780 1.00 0.00 C ATOM 1875 CD2 TRP A 127 -12.201 15.310 4.939 1.00 0.00 C ATOM 1876 NE1 TRP A 127 -13.888 16.717 4.544 1.00 0.00 N ATOM 1877 CE2 TRP A 127 -13.189 15.677 4.009 1.00 0.00 C ATOM 1878 CE3 TRP A 127 -11.338 14.259 4.627 1.00 0.00 C ATOM 1879 CZ2 TRP A 127 -13.340 15.031 2.792 1.00 0.00 C ATOM 1880 CZ3 TRP A 127 -11.490 13.617 3.421 1.00 0.00 C ATOM 1881 CH2 TRP A 127 -12.484 14.007 2.516 1.00 0.00 C ATOM 0 H TRP A 127 -9.187 16.988 6.190 1.00 0.00 H new ATOM 0 HA TRP A 127 -11.428 18.297 7.612 1.00 0.00 H new ATOM 0 HB2 TRP A 127 -10.804 15.339 7.253 1.00 0.00 H new ATOM 0 HB3 TRP A 127 -12.154 15.995 8.159 1.00 0.00 H new ATOM 0 HD1 TRP A 127 -13.754 17.780 6.437 1.00 0.00 H new ATOM 0 HE1 TRP A 127 -14.666 17.200 4.095 1.00 0.00 H new ATOM 0 HE3 TRP A 127 -10.566 13.956 5.319 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 -14.106 15.327 2.090 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 -10.832 12.799 3.168 1.00 0.00 H new ATOM 0 HH2 TRP A 127 -12.575 13.484 1.576 1.00 0.00 H new ATOM 1892 N GLY A 128 -8.812 18.054 8.879 1.00 0.00 N ATOM 1893 CA GLY A 128 -7.998 18.030 10.053 1.00 0.00 C ATOM 1894 C GLY A 128 -6.925 19.060 9.963 1.00 0.00 C ATOM 1895 O GLY A 128 -6.837 19.776 8.952 1.00 0.00 O ATOM 0 H GLY A 128 -8.451 18.631 8.119 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -8.614 18.213 10.934 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -7.553 17.042 10.175 1.00 0.00 H new ATOM 1899 N VAL A 129 -6.098 19.131 10.967 1.00 0.00 N ATOM 1900 CA VAL A 129 -5.043 20.107 11.023 1.00 0.00 C ATOM 1901 C VAL A 129 -3.716 19.384 10.878 1.00 0.00 C ATOM 1902 O VAL A 129 -3.473 18.386 11.548 1.00 0.00 O ATOM 1903 CB VAL A 129 -5.055 20.877 12.378 1.00 0.00 C ATOM 1904 CG1 VAL A 129 -4.028 21.999 12.384 1.00 0.00 C ATOM 1905 CG2 VAL A 129 -6.443 21.418 12.696 1.00 0.00 C ATOM 0 H VAL A 129 -6.136 18.510 11.776 1.00 0.00 H new ATOM 0 HA VAL A 129 -5.188 20.829 10.220 1.00 0.00 H new ATOM 0 HB VAL A 129 -4.784 20.166 13.158 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -4.061 22.517 13.342 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -3.033 21.582 12.231 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -4.254 22.703 11.583 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -6.417 21.950 13.647 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -6.757 22.101 11.907 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -7.150 20.591 12.762 1.00 0.00 H new ATOM 1915 N PHE A 130 -2.889 19.858 10.000 1.00 0.00 N ATOM 1916 CA PHE A 130 -1.618 19.232 9.749 1.00 0.00 C ATOM 1917 C PHE A 130 -0.515 19.946 10.487 1.00 0.00 C ATOM 1918 O PHE A 130 -0.561 21.170 10.675 1.00 0.00 O ATOM 1919 CB PHE A 130 -1.316 19.197 8.253 1.00 0.00 C ATOM 1920 CG PHE A 130 -2.256 18.341 7.462 1.00 0.00 C ATOM 1921 CD1 PHE A 130 -3.462 18.844 7.003 1.00 0.00 C ATOM 1922 CD2 PHE A 130 -1.932 17.029 7.177 1.00 0.00 C ATOM 1923 CE1 PHE A 130 -4.324 18.057 6.279 1.00 0.00 C ATOM 1924 CE2 PHE A 130 -2.790 16.236 6.450 1.00 0.00 C ATOM 1925 CZ PHE A 130 -3.990 16.753 6.001 1.00 0.00 C ATOM 0 H PHE A 130 -3.070 20.688 9.435 1.00 0.00 H new ATOM 0 HA PHE A 130 -1.672 18.207 10.115 1.00 0.00 H new ATOM 0 HB2 PHE A 130 -1.350 20.214 7.862 1.00 0.00 H new ATOM 0 HB3 PHE A 130 -0.299 18.833 8.106 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -3.728 19.869 7.217 1.00 0.00 H new ATOM 0 HD2 PHE A 130 -0.996 16.621 7.528 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -5.262 18.462 5.929 1.00 0.00 H new ATOM 0 HE2 PHE A 130 -2.526 15.212 6.231 1.00 0.00 H new ATOM 0 HZ PHE A 130 -4.666 16.132 5.431 1.00 0.00 H new ATOM 1935 N LYS A 131 0.446 19.201 10.920 1.00 0.00 N ATOM 1936 CA LYS A 131 1.581 19.726 11.600 1.00 0.00 C ATOM 1937 C LYS A 131 2.807 18.943 11.124 1.00 0.00 C ATOM 1938 O LYS A 131 3.322 18.080 11.854 1.00 0.00 O ATOM 1939 CB LYS A 131 1.360 19.597 13.120 1.00 0.00 C ATOM 1940 CG LYS A 131 2.455 20.187 13.989 1.00 0.00 C ATOM 1941 CD LYS A 131 2.147 19.983 15.461 1.00 0.00 C ATOM 1942 CE LYS A 131 3.229 20.583 16.334 1.00 0.00 C ATOM 1943 NZ LYS A 131 2.929 20.427 17.770 1.00 0.00 N ATOM 1944 OXT LYS A 131 3.210 19.123 9.961 1.00 0.00 O ATOM 0 H LYS A 131 0.464 18.187 10.808 1.00 0.00 H new ATOM 0 HA LYS A 131 1.734 20.783 11.383 1.00 0.00 H new ATOM 0 HB2 LYS A 131 0.417 20.080 13.375 1.00 0.00 H new ATOM 0 HB3 LYS A 131 1.254 18.541 13.366 1.00 0.00 H new ATOM 0 HG2 LYS A 131 3.409 19.721 13.745 1.00 0.00 H new ATOM 0 HG3 LYS A 131 2.558 21.252 13.779 1.00 0.00 H new ATOM 0 HD2 LYS A 131 1.187 20.440 15.701 1.00 0.00 H new ATOM 0 HD3 LYS A 131 2.055 18.918 15.672 1.00 0.00 H new ATOM 0 HE2 LYS A 131 4.183 20.106 16.109 1.00 0.00 H new ATOM 0 HE3 LYS A 131 3.339 21.642 16.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 3.694 20.851 18.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 2.032 20.904 17.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 2.849 19.416 18.000 1.00 0.00 H new