USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=18 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 103 ASN : amide:sc= 1.12 K(o=1.4,f=-0.8) USER MOD Set 1.2: A 105 ASN : amide:sc= 0.251 K(o=1.4,f=-1.3!) USER MOD Set 2.1: A 44 THR OG1 : rot -113:sc= -0.0483 USER MOD Set 2.2: A 91 GLN : amide:sc= 1.05 K(o=1,f=-0.88) USER MOD Set 3.1: A 42 TYR OH : rot -99:sc= 1.07 USER MOD Set 3.2: A 66 SER OG : rot -90:sc= 0.668 USER MOD Single : A 38 LYS NZ :NH3+ 171:sc=-0.00278 (180deg=-0.114) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0.00406 K(o=0.0041,f=-8.4!) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 170:sc= 1.09 (180deg=0.845) USER MOD Single : A 50 ASN : amide:sc= 0.689 K(o=0.69,f=-0.0011) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -1.58! C(o=-1.6!,f=-9.4!) USER MOD Single : A 57 ASN : amide:sc= -2.11! C(o=-2.1!,f=-7.2!) USER MOD Single : A 58 GLN : amide:sc= -0.382 K(o=-0.38,f=-4.6!) USER MOD Single : A 62 THR OG1 : rot -59:sc= 0.714 USER MOD Single : A 70 ASN : amide:sc= -0.267 K(o=-0.27,f=-1.1) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 CYS SG : rot -156:sc= -2.59! USER MOD Single : A 94 HIS : no HD1:sc= -0.107 X(o=-0.11,f=-0.1) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= 0.0842 K(o=0.084,f=-4.2!) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot -163:sc= 1.85 USER MOD Single : A 109 CYS SG : rot 180:sc= -0.59 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0.0108 USER MOD Single : A 114 CYS SG : rot 19:sc= 0.133 USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 121 HIS : no HE2:sc= 0.812 K(o=0.81,f=-2.7!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 504 N TRP A 37 9.119 8.812 -3.313 1.00 0.00 N ATOM 505 CA TRP A 37 7.903 8.040 -3.427 1.00 0.00 C ATOM 506 C TRP A 37 8.139 6.769 -4.226 1.00 0.00 C ATOM 507 O TRP A 37 8.660 6.811 -5.348 1.00 0.00 O ATOM 508 CB TRP A 37 6.806 8.856 -4.129 1.00 0.00 C ATOM 509 CG TRP A 37 6.420 10.142 -3.454 1.00 0.00 C ATOM 510 CD1 TRP A 37 7.050 11.344 -3.563 1.00 0.00 C ATOM 511 CD2 TRP A 37 5.289 10.361 -2.604 1.00 0.00 C ATOM 512 NE1 TRP A 37 6.390 12.289 -2.824 1.00 0.00 N ATOM 513 CE2 TRP A 37 5.308 11.712 -2.225 1.00 0.00 C ATOM 514 CE3 TRP A 37 4.267 9.544 -2.120 1.00 0.00 C ATOM 515 CZ2 TRP A 37 4.347 12.267 -1.390 1.00 0.00 C ATOM 516 CZ3 TRP A 37 3.313 10.094 -1.291 1.00 0.00 C ATOM 517 CH2 TRP A 37 3.361 11.445 -0.934 1.00 0.00 C ATOM 0 HA TRP A 37 7.586 7.784 -2.416 1.00 0.00 H new ATOM 0 HB2 TRP A 37 7.140 9.084 -5.141 1.00 0.00 H new ATOM 0 HB3 TRP A 37 5.916 8.233 -4.219 1.00 0.00 H new ATOM 0 HD1 TRP A 37 7.940 11.526 -4.147 1.00 0.00 H new ATOM 0 HE1 TRP A 37 6.663 13.268 -2.735 1.00 0.00 H new ATOM 0 HE3 TRP A 37 4.224 8.499 -2.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 4.380 13.310 -1.113 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.516 9.472 -0.911 1.00 0.00 H new ATOM 0 HH2 TRP A 37 2.599 11.846 -0.282 1.00 0.00 H new ATOM 528 N LYS A 38 7.751 5.667 -3.659 1.00 0.00 N ATOM 529 CA LYS A 38 7.803 4.382 -4.316 1.00 0.00 C ATOM 530 C LYS A 38 6.378 3.937 -4.507 1.00 0.00 C ATOM 531 O LYS A 38 5.494 4.386 -3.776 1.00 0.00 O ATOM 532 CB LYS A 38 8.550 3.338 -3.464 1.00 0.00 C ATOM 533 CG LYS A 38 9.993 3.698 -3.134 1.00 0.00 C ATOM 534 CD LYS A 38 10.687 2.599 -2.324 1.00 0.00 C ATOM 535 CE LYS A 38 10.888 1.299 -3.122 1.00 0.00 C ATOM 536 NZ LYS A 38 11.750 1.496 -4.317 1.00 0.00 N ATOM 0 H LYS A 38 7.381 5.628 -2.709 1.00 0.00 H new ATOM 0 HA LYS A 38 8.338 4.472 -5.262 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.004 3.193 -2.532 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.540 2.384 -3.992 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.544 3.870 -4.058 1.00 0.00 H new ATOM 0 HG3 LYS A 38 10.014 4.631 -2.572 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.656 2.963 -1.984 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.097 2.384 -1.433 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.335 0.544 -2.475 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.918 0.915 -3.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.981 0.572 -4.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.245 2.076 -5.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.628 1.978 -4.036 1.00 0.00 H new ATOM 550 N LYS A 39 6.132 3.086 -5.457 1.00 0.00 N ATOM 551 CA LYS A 39 4.784 2.660 -5.707 1.00 0.00 C ATOM 552 C LYS A 39 4.564 1.281 -5.099 1.00 0.00 C ATOM 553 O LYS A 39 5.343 0.341 -5.336 1.00 0.00 O ATOM 554 CB LYS A 39 4.480 2.698 -7.207 1.00 0.00 C ATOM 555 CG LYS A 39 3.019 2.486 -7.573 1.00 0.00 C ATOM 556 CD LYS A 39 2.814 2.666 -9.067 1.00 0.00 C ATOM 557 CE LYS A 39 1.350 2.570 -9.452 1.00 0.00 C ATOM 558 NZ LYS A 39 1.158 2.763 -10.900 1.00 0.00 N ATOM 0 H LYS A 39 6.838 2.675 -6.068 1.00 0.00 H new ATOM 0 HA LYS A 39 4.084 3.346 -5.230 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.802 3.661 -7.603 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.078 1.933 -7.703 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.705 1.486 -7.275 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.395 3.193 -7.026 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.207 3.635 -9.373 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.382 1.907 -9.605 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.959 1.596 -9.159 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.779 3.320 -8.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.146 2.691 -11.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.509 3.703 -11.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.683 2.032 -11.420 1.00 0.00 H new ATOM 572 N ASN A 40 3.546 1.187 -4.289 1.00 0.00 N ATOM 573 CA ASN A 40 3.204 -0.025 -3.569 1.00 0.00 C ATOM 574 C ASN A 40 2.258 -0.855 -4.448 1.00 0.00 C ATOM 575 O ASN A 40 1.658 -0.318 -5.385 1.00 0.00 O ATOM 576 CB ASN A 40 2.529 0.381 -2.224 1.00 0.00 C ATOM 577 CG ASN A 40 2.423 -0.722 -1.165 1.00 0.00 C ATOM 578 OD1 ASN A 40 2.264 -1.898 -1.464 1.00 0.00 O ATOM 579 ND2 ASN A 40 2.517 -0.333 0.082 1.00 0.00 N ATOM 0 H ASN A 40 2.912 1.964 -4.102 1.00 0.00 H new ATOM 0 HA ASN A 40 4.085 -0.626 -3.346 1.00 0.00 H new ATOM 0 HB2 ASN A 40 3.087 1.214 -1.797 1.00 0.00 H new ATOM 0 HB3 ASN A 40 1.525 0.747 -2.440 1.00 0.00 H new ATOM 0 HD21 ASN A 40 2.458 -1.018 0.836 1.00 0.00 H new ATOM 0 HD22 ASN A 40 2.649 0.655 0.300 1.00 0.00 H new ATOM 586 N GLN A 41 2.081 -2.126 -4.113 1.00 0.00 N ATOM 587 CA GLN A 41 1.275 -3.085 -4.889 1.00 0.00 C ATOM 588 C GLN A 41 -0.214 -2.683 -4.899 1.00 0.00 C ATOM 589 O GLN A 41 -1.010 -3.166 -5.711 1.00 0.00 O ATOM 590 CB GLN A 41 1.453 -4.484 -4.291 1.00 0.00 C ATOM 591 CG GLN A 41 0.822 -5.609 -5.093 1.00 0.00 C ATOM 592 CD GLN A 41 0.976 -6.953 -4.422 1.00 0.00 C ATOM 593 OE1 GLN A 41 1.942 -7.198 -3.695 1.00 0.00 O ATOM 594 NE2 GLN A 41 0.060 -7.837 -4.671 1.00 0.00 N ATOM 0 H GLN A 41 2.499 -2.537 -3.278 1.00 0.00 H new ATOM 0 HA GLN A 41 1.618 -3.083 -5.923 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.519 -4.686 -4.187 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.028 -4.491 -3.287 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.238 -5.398 -5.238 1.00 0.00 H new ATOM 0 HG3 GLN A 41 1.278 -5.646 -6.082 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.726 -7.601 -5.277 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.125 -8.769 -4.261 1.00 0.00 H new ATOM 603 N TYR A 42 -0.576 -1.787 -4.005 1.00 0.00 N ATOM 604 CA TYR A 42 -1.936 -1.278 -3.941 1.00 0.00 C ATOM 605 C TYR A 42 -2.183 -0.296 -5.099 1.00 0.00 C ATOM 606 O TYR A 42 -3.325 -0.004 -5.454 1.00 0.00 O ATOM 607 CB TYR A 42 -2.179 -0.532 -2.618 1.00 0.00 C ATOM 608 CG TYR A 42 -1.922 -1.318 -1.344 1.00 0.00 C ATOM 609 CD1 TYR A 42 -2.623 -2.479 -1.053 1.00 0.00 C ATOM 610 CD2 TYR A 42 -1.007 -0.859 -0.409 1.00 0.00 C ATOM 611 CE1 TYR A 42 -2.416 -3.159 0.132 1.00 0.00 C ATOM 612 CE2 TYR A 42 -0.787 -1.537 0.774 1.00 0.00 C ATOM 613 CZ TYR A 42 -1.494 -2.684 1.041 1.00 0.00 C ATOM 614 OH TYR A 42 -1.297 -3.349 2.235 1.00 0.00 O ATOM 0 H TYR A 42 0.055 -1.392 -3.307 1.00 0.00 H new ATOM 0 HA TYR A 42 -2.615 -2.128 -4.011 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -1.547 0.356 -2.605 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -3.213 -0.188 -2.605 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -3.342 -2.858 -1.764 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -0.455 0.047 -0.610 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -2.974 -4.059 0.345 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -0.063 -1.167 1.485 1.00 0.00 H new ATOM 0 HH TYR A 42 -1.800 -2.900 2.946 1.00 0.00 H new ATOM 624 N GLY A 43 -1.094 0.191 -5.683 1.00 0.00 N ATOM 625 CA GLY A 43 -1.167 1.200 -6.723 1.00 0.00 C ATOM 626 C GLY A 43 -0.874 2.559 -6.142 1.00 0.00 C ATOM 627 O GLY A 43 -0.718 3.545 -6.854 1.00 0.00 O ATOM 0 H GLY A 43 -0.145 -0.102 -5.449 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.453 0.972 -7.514 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.158 1.195 -7.177 1.00 0.00 H new ATOM 631 N THR A 44 -0.788 2.575 -4.840 1.00 0.00 N ATOM 632 CA THR A 44 -0.558 3.744 -4.055 1.00 0.00 C ATOM 633 C THR A 44 0.936 4.103 -4.040 1.00 0.00 C ATOM 634 O THR A 44 1.789 3.220 -3.947 1.00 0.00 O ATOM 635 CB THR A 44 -0.995 3.419 -2.622 1.00 0.00 C ATOM 636 OG1 THR A 44 -2.282 2.790 -2.658 1.00 0.00 O ATOM 637 CG2 THR A 44 -1.084 4.667 -1.782 1.00 0.00 C ATOM 0 H THR A 44 -0.882 1.730 -4.276 1.00 0.00 H new ATOM 0 HA THR A 44 -1.113 4.585 -4.471 1.00 0.00 H new ATOM 0 HB THR A 44 -0.253 2.755 -2.178 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.947 3.381 -2.246 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.396 4.404 -0.771 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.108 5.152 -1.746 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.812 5.350 -2.220 1.00 0.00 H new ATOM 645 N TRP A 45 1.239 5.373 -4.144 1.00 0.00 N ATOM 646 CA TRP A 45 2.606 5.849 -4.024 1.00 0.00 C ATOM 647 C TRP A 45 2.837 6.240 -2.588 1.00 0.00 C ATOM 648 O TRP A 45 1.951 6.821 -1.975 1.00 0.00 O ATOM 649 CB TRP A 45 2.853 7.055 -4.929 1.00 0.00 C ATOM 650 CG TRP A 45 2.877 6.744 -6.393 1.00 0.00 C ATOM 651 CD1 TRP A 45 1.808 6.519 -7.213 1.00 0.00 C ATOM 652 CD2 TRP A 45 4.041 6.654 -7.219 1.00 0.00 C ATOM 653 NE1 TRP A 45 2.243 6.283 -8.491 1.00 0.00 N ATOM 654 CE2 TRP A 45 3.609 6.360 -8.521 1.00 0.00 C ATOM 655 CE3 TRP A 45 5.412 6.790 -6.978 1.00 0.00 C ATOM 656 CZ2 TRP A 45 4.498 6.202 -9.583 1.00 0.00 C ATOM 657 CZ3 TRP A 45 6.291 6.634 -8.028 1.00 0.00 C ATOM 658 CH2 TRP A 45 5.832 6.343 -9.316 1.00 0.00 C ATOM 0 H TRP A 45 0.552 6.108 -4.314 1.00 0.00 H new ATOM 0 HA TRP A 45 3.292 5.059 -4.329 1.00 0.00 H new ATOM 0 HB2 TRP A 45 2.077 7.797 -4.742 1.00 0.00 H new ATOM 0 HB3 TRP A 45 3.804 7.511 -4.653 1.00 0.00 H new ATOM 0 HD1 TRP A 45 0.774 6.526 -6.901 1.00 0.00 H new ATOM 0 HE1 TRP A 45 1.644 6.082 -9.292 1.00 0.00 H new ATOM 0 HE3 TRP A 45 5.776 7.013 -5.986 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 4.147 5.977 -10.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 7.352 6.738 -7.853 1.00 0.00 H new ATOM 0 HH2 TRP A 45 6.546 6.227 -10.118 1.00 0.00 H new ATOM 669 N TYR A 46 3.980 5.922 -2.047 1.00 0.00 N ATOM 670 CA TYR A 46 4.255 6.238 -0.661 1.00 0.00 C ATOM 671 C TYR A 46 5.693 6.654 -0.470 1.00 0.00 C ATOM 672 O TYR A 46 6.569 6.235 -1.226 1.00 0.00 O ATOM 673 CB TYR A 46 3.945 5.035 0.256 1.00 0.00 C ATOM 674 CG TYR A 46 4.870 3.836 0.100 1.00 0.00 C ATOM 675 CD1 TYR A 46 4.689 2.921 -0.921 1.00 0.00 C ATOM 676 CD2 TYR A 46 5.916 3.620 0.993 1.00 0.00 C ATOM 677 CE1 TYR A 46 5.520 1.825 -1.053 1.00 0.00 C ATOM 678 CE2 TYR A 46 6.752 2.530 0.865 1.00 0.00 C ATOM 679 CZ TYR A 46 6.547 1.635 -0.159 1.00 0.00 C ATOM 680 OH TYR A 46 7.374 0.543 -0.289 1.00 0.00 O ATOM 0 H TYR A 46 4.738 5.446 -2.537 1.00 0.00 H new ATOM 0 HA TYR A 46 3.607 7.070 -0.388 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.985 5.371 1.292 1.00 0.00 H new ATOM 0 HB3 TYR A 46 2.922 4.710 0.066 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.885 3.066 -1.627 1.00 0.00 H new ATOM 0 HD2 TYR A 46 6.076 4.319 1.801 1.00 0.00 H new ATOM 0 HE1 TYR A 46 5.363 1.120 -1.856 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.562 2.381 1.564 1.00 0.00 H new ATOM 0 HH TYR A 46 8.048 0.557 0.422 1.00 0.00 H new ATOM 690 N LYS A 47 5.931 7.483 0.520 1.00 0.00 N ATOM 691 CA LYS A 47 7.274 7.839 0.893 1.00 0.00 C ATOM 692 C LYS A 47 7.318 7.995 2.409 1.00 0.00 C ATOM 693 O LYS A 47 6.274 8.290 3.029 1.00 0.00 O ATOM 694 CB LYS A 47 7.775 9.143 0.209 1.00 0.00 C ATOM 695 CG LYS A 47 7.315 10.463 0.836 1.00 0.00 C ATOM 696 CD LYS A 47 8.051 11.633 0.187 1.00 0.00 C ATOM 697 CE LYS A 47 7.891 12.932 0.960 1.00 0.00 C ATOM 698 NZ LYS A 47 6.504 13.431 1.001 1.00 0.00 N ATOM 0 H LYS A 47 5.204 7.924 1.083 1.00 0.00 H new ATOM 0 HA LYS A 47 7.941 7.046 0.555 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.865 9.129 0.204 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.452 9.128 -0.832 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.239 10.582 0.706 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.507 10.452 1.909 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.111 11.391 0.108 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.679 11.772 -0.828 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.244 12.783 1.980 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.528 13.693 0.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.438 14.218 1.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.227 13.764 0.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.868 12.664 1.299 1.00 0.00 H new ATOM 712 N PRO A 48 8.468 7.752 3.045 1.00 0.00 N ATOM 713 CA PRO A 48 8.618 7.971 4.477 1.00 0.00 C ATOM 714 C PRO A 48 8.692 9.465 4.786 1.00 0.00 C ATOM 715 O PRO A 48 9.540 10.181 4.240 1.00 0.00 O ATOM 716 CB PRO A 48 9.964 7.291 4.819 1.00 0.00 C ATOM 717 CG PRO A 48 10.334 6.505 3.604 1.00 0.00 C ATOM 718 CD PRO A 48 9.706 7.217 2.448 1.00 0.00 C ATOM 0 HA PRO A 48 7.781 7.573 5.051 1.00 0.00 H new ATOM 0 HB2 PRO A 48 10.729 8.031 5.056 1.00 0.00 H new ATOM 0 HB3 PRO A 48 9.866 6.644 5.691 1.00 0.00 H new ATOM 0 HG2 PRO A 48 11.417 6.451 3.488 1.00 0.00 H new ATOM 0 HG3 PRO A 48 9.970 5.480 3.676 1.00 0.00 H new ATOM 0 HD2 PRO A 48 10.347 8.010 2.061 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.499 6.541 1.618 1.00 0.00 H new ATOM 726 N GLU A 49 7.790 9.934 5.610 1.00 0.00 N ATOM 727 CA GLU A 49 7.752 11.321 6.010 1.00 0.00 C ATOM 728 C GLU A 49 7.028 11.400 7.330 1.00 0.00 C ATOM 729 O GLU A 49 5.882 10.962 7.440 1.00 0.00 O ATOM 730 CB GLU A 49 7.043 12.168 4.947 1.00 0.00 C ATOM 731 CG GLU A 49 6.969 13.652 5.266 1.00 0.00 C ATOM 732 CD GLU A 49 6.261 14.427 4.195 1.00 0.00 C ATOM 733 OE1 GLU A 49 5.042 14.529 4.234 1.00 0.00 O ATOM 734 OE2 GLU A 49 6.922 14.942 3.273 1.00 0.00 O ATOM 0 H GLU A 49 7.055 9.362 6.026 1.00 0.00 H new ATOM 0 HA GLU A 49 8.763 11.713 6.115 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.559 12.040 3.996 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.030 11.787 4.814 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.452 13.792 6.215 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.978 14.046 5.391 1.00 0.00 H new ATOM 741 N ASN A 50 7.690 11.921 8.319 1.00 0.00 N ATOM 742 CA ASN A 50 7.143 11.977 9.652 1.00 0.00 C ATOM 743 C ASN A 50 6.623 13.371 9.945 1.00 0.00 C ATOM 744 O ASN A 50 7.387 14.339 9.964 1.00 0.00 O ATOM 745 CB ASN A 50 8.215 11.581 10.675 1.00 0.00 C ATOM 746 CG ASN A 50 7.673 11.394 12.079 1.00 0.00 C ATOM 747 OD1 ASN A 50 7.582 12.346 12.861 1.00 0.00 O ATOM 748 ND2 ASN A 50 7.369 10.172 12.429 1.00 0.00 N ATOM 0 H ASN A 50 8.624 12.320 8.230 1.00 0.00 H new ATOM 0 HA ASN A 50 6.313 11.274 9.725 1.00 0.00 H new ATOM 0 HB2 ASN A 50 8.690 10.655 10.351 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.990 12.347 10.692 1.00 0.00 H new ATOM 0 HD21 ASN A 50 7.044 9.979 13.376 1.00 0.00 H new ATOM 0 HD22 ASN A 50 7.457 9.412 11.755 1.00 0.00 H new ATOM 755 N ALA A 51 5.335 13.477 10.144 1.00 0.00 N ATOM 756 CA ALA A 51 4.688 14.743 10.445 1.00 0.00 C ATOM 757 C ALA A 51 3.469 14.478 11.312 1.00 0.00 C ATOM 758 O ALA A 51 3.146 13.322 11.578 1.00 0.00 O ATOM 759 CB ALA A 51 4.303 15.476 9.167 1.00 0.00 C ATOM 0 H ALA A 51 4.694 12.685 10.103 1.00 0.00 H new ATOM 0 HA ALA A 51 5.382 15.385 10.987 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.821 16.420 9.420 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.198 15.673 8.577 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.614 14.861 8.588 1.00 0.00 H new ATOM 765 N THR A 52 2.794 15.507 11.745 1.00 0.00 N ATOM 766 CA THR A 52 1.681 15.341 12.639 1.00 0.00 C ATOM 767 C THR A 52 0.365 15.854 12.023 1.00 0.00 C ATOM 768 O THR A 52 0.336 16.877 11.350 1.00 0.00 O ATOM 769 CB THR A 52 1.980 16.086 13.949 1.00 0.00 C ATOM 770 OG1 THR A 52 3.290 15.691 14.401 1.00 0.00 O ATOM 771 CG2 THR A 52 0.961 15.738 15.019 1.00 0.00 C ATOM 0 H THR A 52 2.996 16.474 11.492 1.00 0.00 H new ATOM 0 HA THR A 52 1.550 14.276 12.832 1.00 0.00 H new ATOM 0 HB THR A 52 1.933 17.160 13.769 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.502 16.157 15.237 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.197 16.279 15.935 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.035 16.019 14.678 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.989 14.666 15.213 1.00 0.00 H new ATOM 779 N PHE A 53 -0.692 15.108 12.225 1.00 0.00 N ATOM 780 CA PHE A 53 -2.010 15.489 11.803 1.00 0.00 C ATOM 781 C PHE A 53 -2.885 15.676 13.023 1.00 0.00 C ATOM 782 O PHE A 53 -3.016 14.770 13.853 1.00 0.00 O ATOM 783 CB PHE A 53 -2.622 14.424 10.874 1.00 0.00 C ATOM 784 CG PHE A 53 -4.065 14.681 10.505 1.00 0.00 C ATOM 785 CD1 PHE A 53 -4.398 15.672 9.598 1.00 0.00 C ATOM 786 CD2 PHE A 53 -5.087 13.934 11.081 1.00 0.00 C ATOM 787 CE1 PHE A 53 -5.716 15.912 9.268 1.00 0.00 C ATOM 788 CE2 PHE A 53 -6.407 14.173 10.756 1.00 0.00 C ATOM 789 CZ PHE A 53 -6.722 15.162 9.848 1.00 0.00 C ATOM 0 H PHE A 53 -0.657 14.204 12.696 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.946 16.423 11.246 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.029 14.370 9.961 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.550 13.450 11.359 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.617 16.264 9.143 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.845 13.157 11.791 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.962 16.686 8.556 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -7.191 13.587 11.212 1.00 0.00 H new ATOM 0 HZ PHE A 53 -7.754 15.350 9.590 1.00 0.00 H new ATOM 799 N VAL A 54 -3.449 16.835 13.151 1.00 0.00 N ATOM 800 CA VAL A 54 -4.350 17.124 14.231 1.00 0.00 C ATOM 801 C VAL A 54 -5.760 17.125 13.671 1.00 0.00 C ATOM 802 O VAL A 54 -6.103 17.983 12.859 1.00 0.00 O ATOM 803 CB VAL A 54 -4.058 18.512 14.873 1.00 0.00 C ATOM 804 CG1 VAL A 54 -4.963 18.763 16.075 1.00 0.00 C ATOM 805 CG2 VAL A 54 -2.595 18.637 15.271 1.00 0.00 C ATOM 0 H VAL A 54 -3.300 17.613 12.509 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.225 16.368 15.006 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.271 19.272 14.122 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.737 19.740 16.503 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.005 18.739 15.757 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.794 17.990 16.825 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.422 19.617 15.716 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.347 17.860 15.995 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.967 18.524 14.388 1.00 0.00 H new ATOM 815 N ASN A 55 -6.547 16.146 14.044 1.00 0.00 N ATOM 816 CA ASN A 55 -7.933 16.066 13.597 1.00 0.00 C ATOM 817 C ASN A 55 -8.723 17.225 14.179 1.00 0.00 C ATOM 818 O ASN A 55 -8.682 17.457 15.395 1.00 0.00 O ATOM 819 CB ASN A 55 -8.560 14.734 14.022 1.00 0.00 C ATOM 820 CG ASN A 55 -10.036 14.661 13.698 1.00 0.00 C ATOM 821 OD1 ASN A 55 -10.865 15.060 14.496 1.00 0.00 O ATOM 822 ND2 ASN A 55 -10.369 14.159 12.550 1.00 0.00 N ATOM 0 H ASN A 55 -6.258 15.385 14.659 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.957 16.124 12.509 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -8.041 13.916 13.523 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -8.419 14.595 15.094 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -11.353 14.088 12.290 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -9.647 13.835 11.906 1.00 0.00 H new ATOM 829 N GLY A 56 -9.424 17.959 13.334 1.00 0.00 N ATOM 830 CA GLY A 56 -10.133 19.111 13.831 1.00 0.00 C ATOM 831 C GLY A 56 -11.539 19.270 13.292 1.00 0.00 C ATOM 832 O GLY A 56 -12.301 20.099 13.796 1.00 0.00 O ATOM 0 H GLY A 56 -9.514 17.783 12.333 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.180 19.050 14.918 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.561 20.006 13.586 1.00 0.00 H new ATOM 836 N ASN A 57 -11.908 18.512 12.278 1.00 0.00 N ATOM 837 CA ASN A 57 -13.243 18.680 11.717 1.00 0.00 C ATOM 838 C ASN A 57 -14.216 17.683 12.326 1.00 0.00 C ATOM 839 O ASN A 57 -15.020 18.043 13.191 1.00 0.00 O ATOM 840 CB ASN A 57 -13.237 18.599 10.177 1.00 0.00 C ATOM 841 CG ASN A 57 -14.553 19.061 9.538 1.00 0.00 C ATOM 842 OD1 ASN A 57 -15.471 18.277 9.297 1.00 0.00 O ATOM 843 ND2 ASN A 57 -14.640 20.333 9.243 1.00 0.00 N ATOM 0 H ASN A 57 -11.330 17.797 11.836 1.00 0.00 H new ATOM 0 HA ASN A 57 -13.583 19.682 11.977 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -12.420 19.210 9.792 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -13.036 17.571 9.875 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -15.484 20.698 8.802 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -13.864 20.960 9.454 1.00 0.00 H new ATOM 850 N GLN A 58 -14.122 16.442 11.932 1.00 0.00 N ATOM 851 CA GLN A 58 -15.005 15.404 12.428 1.00 0.00 C ATOM 852 C GLN A 58 -14.233 14.103 12.642 1.00 0.00 C ATOM 853 O GLN A 58 -13.076 14.024 12.235 1.00 0.00 O ATOM 854 CB GLN A 58 -16.230 15.215 11.470 1.00 0.00 C ATOM 855 CG GLN A 58 -15.940 15.251 9.955 1.00 0.00 C ATOM 856 CD GLN A 58 -14.917 14.252 9.465 1.00 0.00 C ATOM 857 OE1 GLN A 58 -13.728 14.543 9.418 1.00 0.00 O ATOM 858 NE2 GLN A 58 -15.366 13.089 9.095 1.00 0.00 N ATOM 0 H GLN A 58 -13.432 16.114 11.257 1.00 0.00 H new ATOM 0 HA GLN A 58 -15.401 15.709 13.397 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -16.700 14.259 11.703 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -16.960 15.992 11.695 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -16.874 15.081 9.420 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -15.600 16.252 9.691 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -16.364 12.887 9.150 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -14.720 12.379 8.750 1.00 0.00 H new ATOM 867 N PRO A 59 -14.817 13.097 13.339 1.00 0.00 N ATOM 868 CA PRO A 59 -14.195 11.779 13.458 1.00 0.00 C ATOM 869 C PRO A 59 -14.071 11.156 12.076 1.00 0.00 C ATOM 870 O PRO A 59 -15.051 11.100 11.322 1.00 0.00 O ATOM 871 CB PRO A 59 -15.187 10.975 14.315 1.00 0.00 C ATOM 872 CG PRO A 59 -16.001 12.001 15.019 1.00 0.00 C ATOM 873 CD PRO A 59 -16.089 13.167 14.085 1.00 0.00 C ATOM 0 HA PRO A 59 -13.197 11.810 13.895 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -15.812 10.331 13.697 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -14.666 10.330 15.022 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -16.992 11.616 15.258 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -15.535 12.290 15.961 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -16.950 13.088 13.421 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -16.188 14.109 14.625 1.00 0.00 H new ATOM 881 N ILE A 60 -12.916 10.675 11.747 1.00 0.00 N ATOM 882 CA ILE A 60 -12.684 10.196 10.416 1.00 0.00 C ATOM 883 C ILE A 60 -12.618 8.696 10.422 1.00 0.00 C ATOM 884 O ILE A 60 -11.840 8.104 11.171 1.00 0.00 O ATOM 885 CB ILE A 60 -11.352 10.749 9.821 1.00 0.00 C ATOM 886 CG1 ILE A 60 -11.319 12.283 9.874 1.00 0.00 C ATOM 887 CG2 ILE A 60 -11.179 10.275 8.378 1.00 0.00 C ATOM 888 CD1 ILE A 60 -10.022 12.893 9.367 1.00 0.00 C ATOM 0 H ILE A 60 -12.118 10.602 12.378 1.00 0.00 H new ATOM 0 HA ILE A 60 -13.511 10.545 9.797 1.00 0.00 H new ATOM 0 HB ILE A 60 -10.529 10.366 10.425 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -12.147 12.674 9.283 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -11.481 12.604 10.903 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -10.246 10.668 7.975 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -11.154 9.186 8.353 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -12.014 10.633 7.775 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -10.079 13.979 9.437 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -9.190 12.533 9.972 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -9.866 12.605 8.327 1.00 0.00 H new ATOM 900 N VAL A 61 -13.428 8.074 9.616 1.00 0.00 N ATOM 901 CA VAL A 61 -13.376 6.656 9.517 1.00 0.00 C ATOM 902 C VAL A 61 -12.251 6.282 8.549 1.00 0.00 C ATOM 903 O VAL A 61 -12.231 6.689 7.385 1.00 0.00 O ATOM 904 CB VAL A 61 -14.752 6.008 9.153 1.00 0.00 C ATOM 905 CG1 VAL A 61 -15.266 6.422 7.785 1.00 0.00 C ATOM 906 CG2 VAL A 61 -14.690 4.498 9.287 1.00 0.00 C ATOM 0 H VAL A 61 -14.125 8.527 9.025 1.00 0.00 H new ATOM 0 HA VAL A 61 -13.152 6.239 10.499 1.00 0.00 H new ATOM 0 HB VAL A 61 -15.475 6.391 9.873 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -16.224 5.938 7.594 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -15.395 7.504 7.757 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -14.549 6.122 7.021 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -15.658 4.070 9.029 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -13.928 4.104 8.614 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -14.439 4.234 10.314 1.00 0.00 H new ATOM 916 N THR A 62 -11.311 5.565 9.053 1.00 0.00 N ATOM 917 CA THR A 62 -10.107 5.247 8.344 1.00 0.00 C ATOM 918 C THR A 62 -10.210 3.884 7.670 1.00 0.00 C ATOM 919 O THR A 62 -11.263 3.224 7.739 1.00 0.00 O ATOM 920 CB THR A 62 -8.913 5.269 9.320 1.00 0.00 C ATOM 921 OG1 THR A 62 -9.138 4.333 10.383 1.00 0.00 O ATOM 922 CG2 THR A 62 -8.735 6.654 9.921 1.00 0.00 C ATOM 0 H THR A 62 -11.351 5.170 9.992 1.00 0.00 H new ATOM 0 HA THR A 62 -9.955 5.995 7.565 1.00 0.00 H new ATOM 0 HB THR A 62 -8.015 5.000 8.764 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.961 4.570 10.859 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.887 6.647 10.606 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.552 7.375 9.125 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.638 6.934 10.463 1.00 0.00 H new ATOM 930 N ARG A 63 -9.166 3.498 6.971 1.00 0.00 N ATOM 931 CA ARG A 63 -9.100 2.196 6.359 1.00 0.00 C ATOM 932 C ARG A 63 -7.931 1.448 6.958 1.00 0.00 C ATOM 933 O ARG A 63 -6.869 2.033 7.212 1.00 0.00 O ATOM 934 CB ARG A 63 -8.952 2.279 4.841 1.00 0.00 C ATOM 935 CG ARG A 63 -10.088 2.999 4.125 1.00 0.00 C ATOM 936 CD ARG A 63 -11.449 2.375 4.407 1.00 0.00 C ATOM 937 NE ARG A 63 -12.523 3.101 3.714 1.00 0.00 N ATOM 938 CZ ARG A 63 -13.130 4.195 4.189 1.00 0.00 C ATOM 939 NH1 ARG A 63 -12.826 4.655 5.408 1.00 0.00 N ATOM 940 NH2 ARG A 63 -14.057 4.806 3.466 1.00 0.00 N ATOM 0 H ARG A 63 -8.342 4.078 6.813 1.00 0.00 H new ATOM 0 HA ARG A 63 -10.035 1.670 6.555 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -8.016 2.787 4.609 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -8.874 1.268 4.442 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -10.101 4.045 4.433 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.902 2.985 3.051 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.447 1.333 4.088 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -11.638 2.379 5.480 1.00 0.00 H new ATOM 0 HE ARG A 63 -12.827 2.746 2.807 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -12.131 4.172 5.977 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -13.290 5.489 5.769 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -14.308 4.443 2.547 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -14.519 5.640 3.829 1.00 0.00 H new ATOM 954 N ILE A 64 -8.121 0.191 7.203 1.00 0.00 N ATOM 955 CA ILE A 64 -7.126 -0.614 7.857 1.00 0.00 C ATOM 956 C ILE A 64 -6.308 -1.444 6.852 1.00 0.00 C ATOM 957 O ILE A 64 -6.855 -2.082 5.947 1.00 0.00 O ATOM 958 CB ILE A 64 -7.785 -1.543 8.923 1.00 0.00 C ATOM 959 CG1 ILE A 64 -8.564 -0.695 9.951 1.00 0.00 C ATOM 960 CG2 ILE A 64 -6.738 -2.413 9.629 1.00 0.00 C ATOM 961 CD1 ILE A 64 -9.312 -1.503 10.995 1.00 0.00 C ATOM 0 H ILE A 64 -8.973 -0.313 6.956 1.00 0.00 H new ATOM 0 HA ILE A 64 -6.437 0.065 8.359 1.00 0.00 H new ATOM 0 HB ILE A 64 -8.479 -2.210 8.411 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.866 -0.029 10.457 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.276 -0.065 9.418 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.230 -3.049 10.365 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -6.228 -3.036 8.895 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -6.011 -1.773 10.129 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -9.830 -0.827 11.675 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -10.038 -2.150 10.503 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -8.605 -2.113 11.558 1.00 0.00 H new ATOM 973 N GLY A 65 -5.000 -1.354 6.990 1.00 0.00 N ATOM 974 CA GLY A 65 -4.041 -2.155 6.254 1.00 0.00 C ATOM 975 C GLY A 65 -3.792 -1.741 4.819 1.00 0.00 C ATOM 976 O GLY A 65 -2.742 -2.060 4.262 1.00 0.00 O ATOM 0 H GLY A 65 -4.561 -0.700 7.638 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.091 -2.131 6.788 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.383 -3.190 6.259 1.00 0.00 H new ATOM 980 N SER A 66 -4.713 -1.045 4.215 1.00 0.00 N ATOM 981 CA SER A 66 -4.580 -0.684 2.829 1.00 0.00 C ATOM 982 C SER A 66 -5.229 0.665 2.581 1.00 0.00 C ATOM 983 O SER A 66 -6.278 0.952 3.152 1.00 0.00 O ATOM 984 CB SER A 66 -5.297 -1.734 1.966 1.00 0.00 C ATOM 985 OG SER A 66 -4.862 -3.055 2.280 1.00 0.00 O ATOM 0 H SER A 66 -5.568 -0.714 4.662 1.00 0.00 H new ATOM 0 HA SER A 66 -3.522 -0.635 2.573 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.374 -1.658 2.119 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.110 -1.529 0.912 1.00 0.00 H new ATOM 0 HG SER A 66 -4.097 -3.290 1.715 1.00 0.00 H new ATOM 991 N PRO A 67 -4.603 1.538 1.790 1.00 0.00 N ATOM 992 CA PRO A 67 -5.253 2.744 1.370 1.00 0.00 C ATOM 993 C PRO A 67 -6.015 2.501 0.054 1.00 0.00 C ATOM 994 O PRO A 67 -5.426 2.181 -0.981 1.00 0.00 O ATOM 995 CB PRO A 67 -4.090 3.716 1.158 1.00 0.00 C ATOM 996 CG PRO A 67 -2.885 2.857 0.885 1.00 0.00 C ATOM 997 CD PRO A 67 -3.223 1.444 1.299 1.00 0.00 C ATOM 0 HA PRO A 67 -5.987 3.116 2.085 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -4.289 4.388 0.323 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.935 4.339 2.039 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -2.622 2.893 -0.172 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -2.022 3.222 1.441 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.144 0.753 0.460 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -2.547 1.083 2.074 1.00 0.00 H new ATOM 1005 N PHE A 68 -7.302 2.687 0.127 1.00 0.00 N ATOM 1006 CA PHE A 68 -8.277 2.518 -0.945 1.00 0.00 C ATOM 1007 C PHE A 68 -9.530 3.116 -0.400 1.00 0.00 C ATOM 1008 O PHE A 68 -9.547 3.512 0.764 1.00 0.00 O ATOM 1009 CB PHE A 68 -8.617 1.031 -1.273 1.00 0.00 C ATOM 1010 CG PHE A 68 -7.538 0.176 -1.859 1.00 0.00 C ATOM 1011 CD1 PHE A 68 -7.067 0.419 -3.130 1.00 0.00 C ATOM 1012 CD2 PHE A 68 -7.024 -0.896 -1.150 1.00 0.00 C ATOM 1013 CE1 PHE A 68 -6.101 -0.383 -3.687 1.00 0.00 C ATOM 1014 CE2 PHE A 68 -6.053 -1.702 -1.702 1.00 0.00 C ATOM 1015 CZ PHE A 68 -5.592 -1.445 -2.974 1.00 0.00 C ATOM 0 H PHE A 68 -7.743 2.983 0.998 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.878 2.965 -1.856 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -8.957 0.556 -0.353 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -9.460 1.026 -1.965 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.462 1.250 -3.696 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.388 -1.102 -0.154 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.741 -0.180 -4.685 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.654 -2.533 -1.139 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.832 -2.076 -3.412 1.00 0.00 H new ATOM 1025 N LEU A 69 -10.573 3.133 -1.168 1.00 0.00 N ATOM 1026 CA LEU A 69 -11.841 3.591 -0.673 1.00 0.00 C ATOM 1027 C LEU A 69 -12.587 2.409 -0.071 1.00 0.00 C ATOM 1028 O LEU A 69 -13.162 2.506 1.009 1.00 0.00 O ATOM 1029 CB LEU A 69 -12.694 4.273 -1.773 1.00 0.00 C ATOM 1030 CG LEU A 69 -12.153 5.588 -2.392 1.00 0.00 C ATOM 1031 CD1 LEU A 69 -11.788 6.600 -1.315 1.00 0.00 C ATOM 1032 CD2 LEU A 69 -10.985 5.348 -3.351 1.00 0.00 C ATOM 0 H LEU A 69 -10.576 2.835 -2.144 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.659 4.349 0.089 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.836 3.555 -2.581 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.679 4.480 -1.354 1.00 0.00 H new ATOM 0 HG LEU A 69 -12.964 6.009 -2.987 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.412 7.510 -1.783 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.672 6.835 -0.722 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.018 6.181 -0.668 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.645 6.301 -3.756 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.166 4.869 -2.814 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.311 4.703 -4.167 1.00 0.00 H new ATOM 1044 N ASN A 70 -12.489 1.268 -0.738 1.00 0.00 N ATOM 1045 CA ASN A 70 -13.190 0.047 -0.318 1.00 0.00 C ATOM 1046 C ASN A 70 -12.252 -0.859 0.505 1.00 0.00 C ATOM 1047 O ASN A 70 -12.424 -2.077 0.582 1.00 0.00 O ATOM 1048 CB ASN A 70 -13.728 -0.715 -1.551 1.00 0.00 C ATOM 1049 CG ASN A 70 -14.710 -1.830 -1.175 1.00 0.00 C ATOM 1050 OD1 ASN A 70 -15.451 -1.714 -0.190 1.00 0.00 O ATOM 1051 ND2 ASN A 70 -14.706 -2.911 -1.919 1.00 0.00 N ATOM 0 H ASN A 70 -11.927 1.155 -1.581 1.00 0.00 H new ATOM 0 HA ASN A 70 -14.033 0.332 0.311 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -14.223 -0.011 -2.221 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -12.891 -1.144 -2.102 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -15.326 -3.688 -1.692 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -14.083 -2.974 -2.724 1.00 0.00 H new ATOM 1058 N ALA A 71 -11.270 -0.257 1.123 1.00 0.00 N ATOM 1059 CA ALA A 71 -10.362 -0.983 1.993 1.00 0.00 C ATOM 1060 C ALA A 71 -11.090 -1.275 3.314 1.00 0.00 C ATOM 1061 O ALA A 71 -12.089 -0.617 3.599 1.00 0.00 O ATOM 1062 CB ALA A 71 -9.119 -0.149 2.238 1.00 0.00 C ATOM 0 H ALA A 71 -11.072 0.740 1.044 1.00 0.00 H new ATOM 0 HA ALA A 71 -10.056 -1.922 1.532 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.438 -0.694 2.891 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.625 0.056 1.288 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.400 0.792 2.711 1.00 0.00 H new ATOM 1068 N PRO A 72 -10.624 -2.279 4.113 1.00 0.00 N ATOM 1069 CA PRO A 72 -11.263 -2.652 5.388 1.00 0.00 C ATOM 1070 C PRO A 72 -11.579 -1.457 6.282 1.00 0.00 C ATOM 1071 O PRO A 72 -10.698 -0.662 6.644 1.00 0.00 O ATOM 1072 CB PRO A 72 -10.229 -3.553 6.047 1.00 0.00 C ATOM 1073 CG PRO A 72 -9.545 -4.201 4.906 1.00 0.00 C ATOM 1074 CD PRO A 72 -9.463 -3.152 3.830 1.00 0.00 C ATOM 0 HA PRO A 72 -12.230 -3.126 5.223 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -9.532 -2.980 6.658 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -10.698 -4.288 6.702 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -8.552 -4.548 5.191 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -10.100 -5.073 4.561 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -8.524 -2.600 3.878 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -9.524 -3.592 2.835 1.00 0.00 H new ATOM 1082 N VAL A 73 -12.833 -1.346 6.622 1.00 0.00 N ATOM 1083 CA VAL A 73 -13.347 -0.272 7.425 1.00 0.00 C ATOM 1084 C VAL A 73 -13.447 -0.808 8.867 1.00 0.00 C ATOM 1085 O VAL A 73 -13.219 -2.001 9.088 1.00 0.00 O ATOM 1086 CB VAL A 73 -14.762 0.164 6.886 1.00 0.00 C ATOM 1087 CG1 VAL A 73 -15.215 1.493 7.462 1.00 0.00 C ATOM 1088 CG2 VAL A 73 -14.775 0.224 5.361 1.00 0.00 C ATOM 0 H VAL A 73 -13.545 -2.019 6.340 1.00 0.00 H new ATOM 0 HA VAL A 73 -12.700 0.604 7.388 1.00 0.00 H new ATOM 0 HB VAL A 73 -15.467 -0.598 7.217 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -16.195 1.749 7.060 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -15.277 1.417 8.548 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -14.499 2.269 7.193 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -15.764 0.527 5.017 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -14.034 0.947 5.019 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -14.536 -0.759 4.956 1.00 0.00 H new ATOM 1098 N GLY A 74 -13.754 0.031 9.828 1.00 0.00 N ATOM 1099 CA GLY A 74 -13.840 -0.434 11.197 1.00 0.00 C ATOM 1100 C GLY A 74 -12.843 0.252 12.096 1.00 0.00 C ATOM 1101 O GLY A 74 -12.720 -0.078 13.286 1.00 0.00 O ATOM 0 H GLY A 74 -13.946 1.024 9.694 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -14.847 -0.260 11.575 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -13.671 -1.510 11.224 1.00 0.00 H new ATOM 1105 N GLY A 75 -12.120 1.189 11.538 1.00 0.00 N ATOM 1106 CA GLY A 75 -11.208 1.972 12.313 1.00 0.00 C ATOM 1107 C GLY A 75 -11.654 3.405 12.313 1.00 0.00 C ATOM 1108 O GLY A 75 -11.643 4.052 11.270 1.00 0.00 O ATOM 0 H GLY A 75 -12.149 1.425 10.546 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.164 1.594 13.334 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.202 1.893 11.900 1.00 0.00 H new ATOM 1112 N ASN A 76 -12.083 3.893 13.431 1.00 0.00 N ATOM 1113 CA ASN A 76 -12.558 5.262 13.518 1.00 0.00 C ATOM 1114 C ASN A 76 -11.550 6.105 14.265 1.00 0.00 C ATOM 1115 O ASN A 76 -11.081 5.711 15.341 1.00 0.00 O ATOM 1116 CB ASN A 76 -13.906 5.310 14.239 1.00 0.00 C ATOM 1117 CG ASN A 76 -14.462 6.722 14.399 1.00 0.00 C ATOM 1118 OD1 ASN A 76 -14.285 7.581 13.542 1.00 0.00 O ATOM 1119 ND2 ASN A 76 -15.104 6.974 15.514 1.00 0.00 N ATOM 0 H ASN A 76 -12.120 3.373 14.308 1.00 0.00 H new ATOM 0 HA ASN A 76 -12.684 5.656 12.510 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -14.626 4.705 13.687 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -13.798 4.857 15.224 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -15.474 7.908 15.690 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -15.234 6.236 16.206 1.00 0.00 H new ATOM 1126 N LEU A 77 -11.197 7.223 13.693 1.00 0.00 N ATOM 1127 CA LEU A 77 -10.293 8.144 14.312 1.00 0.00 C ATOM 1128 C LEU A 77 -11.129 9.194 15.024 1.00 0.00 C ATOM 1129 O LEU A 77 -11.836 9.967 14.364 1.00 0.00 O ATOM 1130 CB LEU A 77 -9.406 8.817 13.254 1.00 0.00 C ATOM 1131 CG LEU A 77 -8.316 9.746 13.786 1.00 0.00 C ATOM 1132 CD1 LEU A 77 -7.304 8.963 14.603 1.00 0.00 C ATOM 1133 CD2 LEU A 77 -7.632 10.477 12.643 1.00 0.00 C ATOM 0 H LEU A 77 -11.533 7.520 12.777 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.643 7.622 15.014 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.932 8.038 12.657 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -10.046 9.388 12.582 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.781 10.488 14.435 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.534 9.640 14.974 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.806 8.487 15.445 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.844 8.199 13.977 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.859 11.134 13.042 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.179 9.752 11.967 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.367 11.070 12.099 1.00 0.00 H new ATOM 1145 N PRO A 78 -11.099 9.223 16.365 1.00 0.00 N ATOM 1146 CA PRO A 78 -11.912 10.151 17.148 1.00 0.00 C ATOM 1147 C PRO A 78 -11.569 11.611 16.859 1.00 0.00 C ATOM 1148 O PRO A 78 -10.431 11.938 16.480 1.00 0.00 O ATOM 1149 CB PRO A 78 -11.573 9.795 18.603 1.00 0.00 C ATOM 1150 CG PRO A 78 -10.270 9.084 18.539 1.00 0.00 C ATOM 1151 CD PRO A 78 -10.258 8.368 17.226 1.00 0.00 C ATOM 0 HA PRO A 78 -12.972 10.057 16.913 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -11.503 10.690 19.221 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -12.345 9.163 19.043 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -9.439 9.785 18.609 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -10.166 8.383 19.367 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -9.247 8.270 16.831 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -10.665 7.361 17.313 1.00 0.00 H new ATOM 1159 N ALA A 79 -12.541 12.482 17.032 1.00 0.00 N ATOM 1160 CA ALA A 79 -12.326 13.882 16.795 1.00 0.00 C ATOM 1161 C ALA A 79 -11.384 14.451 17.830 1.00 0.00 C ATOM 1162 O ALA A 79 -11.498 14.144 19.036 1.00 0.00 O ATOM 1163 CB ALA A 79 -13.630 14.648 16.772 1.00 0.00 C ATOM 0 H ALA A 79 -13.484 12.239 17.336 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.869 13.990 15.812 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -13.429 15.704 16.590 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -14.267 14.258 15.978 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -14.135 14.535 17.731 1.00 0.00 H new ATOM 1169 N GLY A 80 -10.439 15.222 17.364 1.00 0.00 N ATOM 1170 CA GLY A 80 -9.475 15.834 18.234 1.00 0.00 C ATOM 1171 C GLY A 80 -8.241 14.979 18.429 1.00 0.00 C ATOM 1172 O GLY A 80 -7.395 15.283 19.269 1.00 0.00 O ATOM 0 H GLY A 80 -10.317 15.442 16.376 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.182 16.800 17.823 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.936 16.026 19.203 1.00 0.00 H new ATOM 1176 N ALA A 81 -8.141 13.908 17.677 1.00 0.00 N ATOM 1177 CA ALA A 81 -7.000 13.025 17.782 1.00 0.00 C ATOM 1178 C ALA A 81 -5.794 13.600 17.058 1.00 0.00 C ATOM 1179 O ALA A 81 -5.901 14.090 15.921 1.00 0.00 O ATOM 1180 CB ALA A 81 -7.332 11.645 17.246 1.00 0.00 C ATOM 0 H ALA A 81 -8.835 13.626 16.985 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.749 12.932 18.839 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.458 11.000 17.336 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.157 11.221 17.819 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.620 11.722 16.198 1.00 0.00 H new ATOM 1186 N THR A 82 -4.680 13.574 17.723 1.00 0.00 N ATOM 1187 CA THR A 82 -3.445 14.026 17.172 1.00 0.00 C ATOM 1188 C THR A 82 -2.637 12.797 16.770 1.00 0.00 C ATOM 1189 O THR A 82 -2.238 11.994 17.624 1.00 0.00 O ATOM 1190 CB THR A 82 -2.689 14.857 18.217 1.00 0.00 C ATOM 1191 OG1 THR A 82 -3.576 15.866 18.724 1.00 0.00 O ATOM 1192 CG2 THR A 82 -1.468 15.523 17.614 1.00 0.00 C ATOM 0 H THR A 82 -4.605 13.231 18.681 1.00 0.00 H new ATOM 0 HA THR A 82 -3.615 14.657 16.300 1.00 0.00 H new ATOM 0 HB THR A 82 -2.353 14.196 19.016 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.108 16.406 19.395 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.955 16.104 18.380 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.793 14.761 17.224 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.777 16.184 16.804 1.00 0.00 H new ATOM 1200 N ILE A 83 -2.447 12.626 15.493 1.00 0.00 N ATOM 1201 CA ILE A 83 -1.774 11.464 14.965 1.00 0.00 C ATOM 1202 C ILE A 83 -0.481 11.854 14.285 1.00 0.00 C ATOM 1203 O ILE A 83 -0.472 12.678 13.375 1.00 0.00 O ATOM 1204 CB ILE A 83 -2.679 10.708 13.942 1.00 0.00 C ATOM 1205 CG1 ILE A 83 -3.936 10.142 14.624 1.00 0.00 C ATOM 1206 CG2 ILE A 83 -1.916 9.600 13.211 1.00 0.00 C ATOM 1207 CD1 ILE A 83 -3.657 9.096 15.695 1.00 0.00 C ATOM 0 H ILE A 83 -2.754 13.289 14.782 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.557 10.805 15.806 1.00 0.00 H new ATOM 0 HB ILE A 83 -2.992 11.438 13.195 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.492 10.965 15.074 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.580 9.701 13.863 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.584 9.100 12.509 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.077 10.034 12.667 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.543 8.876 13.935 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.599 8.752 16.122 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.131 8.251 15.250 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -3.041 9.535 16.480 1.00 0.00 H new ATOM 1219 N VAL A 84 0.601 11.304 14.748 1.00 0.00 N ATOM 1220 CA VAL A 84 1.853 11.469 14.080 1.00 0.00 C ATOM 1221 C VAL A 84 1.971 10.357 13.028 1.00 0.00 C ATOM 1222 O VAL A 84 1.804 9.173 13.332 1.00 0.00 O ATOM 1223 CB VAL A 84 3.075 11.482 15.073 1.00 0.00 C ATOM 1224 CG1 VAL A 84 3.210 10.184 15.862 1.00 0.00 C ATOM 1225 CG2 VAL A 84 4.373 11.812 14.349 1.00 0.00 C ATOM 0 H VAL A 84 0.640 10.733 15.592 1.00 0.00 H new ATOM 0 HA VAL A 84 1.881 12.445 13.595 1.00 0.00 H new ATOM 0 HB VAL A 84 2.872 12.272 15.796 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.069 10.252 16.529 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.306 10.019 16.449 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.351 9.352 15.172 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.197 11.813 15.062 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.560 11.064 13.579 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.292 12.796 13.887 1.00 0.00 H new ATOM 1235 N TYR A 85 2.164 10.740 11.810 1.00 0.00 N ATOM 1236 CA TYR A 85 2.260 9.794 10.743 1.00 0.00 C ATOM 1237 C TYR A 85 3.667 9.724 10.255 1.00 0.00 C ATOM 1238 O TYR A 85 4.369 10.737 10.216 1.00 0.00 O ATOM 1239 CB TYR A 85 1.261 10.085 9.614 1.00 0.00 C ATOM 1240 CG TYR A 85 1.299 11.488 9.032 1.00 0.00 C ATOM 1241 CD1 TYR A 85 0.549 12.512 9.597 1.00 0.00 C ATOM 1242 CD2 TYR A 85 2.053 11.780 7.902 1.00 0.00 C ATOM 1243 CE1 TYR A 85 0.552 13.779 9.060 1.00 0.00 C ATOM 1244 CE2 TYR A 85 2.054 13.052 7.357 1.00 0.00 C ATOM 1245 CZ TYR A 85 1.300 14.044 7.943 1.00 0.00 C ATOM 1246 OH TYR A 85 1.295 15.308 7.408 1.00 0.00 O ATOM 0 H TYR A 85 2.260 11.714 11.524 1.00 0.00 H new ATOM 0 HA TYR A 85 1.984 8.812 11.129 1.00 0.00 H new ATOM 0 HB2 TYR A 85 1.439 9.374 8.807 1.00 0.00 H new ATOM 0 HB3 TYR A 85 0.255 9.896 9.989 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -0.048 12.310 10.474 1.00 0.00 H new ATOM 0 HD2 TYR A 85 2.647 11.003 7.443 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -0.034 14.562 9.518 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.643 13.265 6.477 1.00 0.00 H new ATOM 0 HH TYR A 85 1.876 15.332 6.620 1.00 0.00 H new ATOM 1256 N ASP A 86 4.086 8.542 9.916 1.00 0.00 N ATOM 1257 CA ASP A 86 5.467 8.309 9.544 1.00 0.00 C ATOM 1258 C ASP A 86 5.572 7.867 8.083 1.00 0.00 C ATOM 1259 O ASP A 86 6.665 7.830 7.487 1.00 0.00 O ATOM 1260 CB ASP A 86 6.047 7.260 10.495 1.00 0.00 C ATOM 1261 CG ASP A 86 7.529 7.062 10.366 1.00 0.00 C ATOM 1262 OD1 ASP A 86 8.304 7.984 10.745 1.00 0.00 O ATOM 1263 OD2 ASP A 86 7.959 5.968 9.952 1.00 0.00 O ATOM 0 H ASP A 86 3.494 7.712 9.886 1.00 0.00 H new ATOM 0 HA ASP A 86 6.040 9.232 9.631 1.00 0.00 H new ATOM 0 HB2 ASP A 86 5.819 7.551 11.520 1.00 0.00 H new ATOM 0 HB3 ASP A 86 5.548 6.308 10.315 1.00 0.00 H new ATOM 1268 N GLU A 87 4.443 7.559 7.495 1.00 0.00 N ATOM 1269 CA GLU A 87 4.387 7.134 6.122 1.00 0.00 C ATOM 1270 C GLU A 87 3.297 7.932 5.421 1.00 0.00 C ATOM 1271 O GLU A 87 2.215 8.123 5.976 1.00 0.00 O ATOM 1272 CB GLU A 87 4.081 5.633 6.068 1.00 0.00 C ATOM 1273 CG GLU A 87 4.169 5.004 4.690 1.00 0.00 C ATOM 1274 CD GLU A 87 3.839 3.534 4.723 1.00 0.00 C ATOM 1275 OE1 GLU A 87 4.641 2.732 5.278 1.00 0.00 O ATOM 1276 OE2 GLU A 87 2.779 3.138 4.202 1.00 0.00 O ATOM 0 H GLU A 87 3.535 7.597 7.958 1.00 0.00 H new ATOM 0 HA GLU A 87 5.341 7.307 5.623 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.772 5.114 6.732 1.00 0.00 H new ATOM 0 HB3 GLU A 87 3.078 5.469 6.461 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.484 5.515 4.013 1.00 0.00 H new ATOM 0 HG3 GLU A 87 5.174 5.142 4.291 1.00 0.00 H new ATOM 1283 N VAL A 88 3.583 8.434 4.249 1.00 0.00 N ATOM 1284 CA VAL A 88 2.607 9.198 3.494 1.00 0.00 C ATOM 1285 C VAL A 88 2.331 8.468 2.200 1.00 0.00 C ATOM 1286 O VAL A 88 3.268 8.024 1.542 1.00 0.00 O ATOM 1287 CB VAL A 88 3.109 10.631 3.184 1.00 0.00 C ATOM 1288 CG1 VAL A 88 2.046 11.423 2.447 1.00 0.00 C ATOM 1289 CG2 VAL A 88 3.497 11.349 4.462 1.00 0.00 C ATOM 0 H VAL A 88 4.487 8.330 3.789 1.00 0.00 H new ATOM 0 HA VAL A 88 1.700 9.293 4.091 1.00 0.00 H new ATOM 0 HB VAL A 88 3.989 10.550 2.546 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.418 12.426 2.239 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.805 10.923 1.509 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.149 11.490 3.063 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.847 12.353 4.223 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.631 11.413 5.120 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.293 10.797 4.962 1.00 0.00 H new ATOM 1299 N CYS A 89 1.074 8.318 1.856 1.00 0.00 N ATOM 1300 CA CYS A 89 0.675 7.595 0.677 1.00 0.00 C ATOM 1301 C CYS A 89 -0.350 8.386 -0.146 1.00 0.00 C ATOM 1302 O CYS A 89 -1.228 9.024 0.401 1.00 0.00 O ATOM 1303 CB CYS A 89 0.053 6.271 1.104 1.00 0.00 C ATOM 1304 SG CYS A 89 1.128 5.221 2.095 1.00 0.00 S ATOM 0 H CYS A 89 0.294 8.698 2.393 1.00 0.00 H new ATOM 0 HA CYS A 89 1.556 7.431 0.057 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -0.854 6.478 1.672 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -0.247 5.722 0.212 1.00 0.00 H new ATOM 0 HG CYS A 89 0.749 3.983 1.983 1.00 0.00 H new ATOM 1310 N ILE A 90 -0.232 8.348 -1.447 1.00 0.00 N ATOM 1311 CA ILE A 90 -1.213 8.971 -2.314 1.00 0.00 C ATOM 1312 C ILE A 90 -2.046 7.900 -3.000 1.00 0.00 C ATOM 1313 O ILE A 90 -1.530 7.103 -3.801 1.00 0.00 O ATOM 1314 CB ILE A 90 -0.599 9.934 -3.397 1.00 0.00 C ATOM 1315 CG1 ILE A 90 0.075 11.149 -2.736 1.00 0.00 C ATOM 1316 CG2 ILE A 90 -1.678 10.401 -4.394 1.00 0.00 C ATOM 1317 CD1 ILE A 90 0.643 12.164 -3.727 1.00 0.00 C ATOM 0 H ILE A 90 0.536 7.891 -1.938 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.832 9.594 -1.668 1.00 0.00 H new ATOM 0 HB ILE A 90 0.159 9.375 -3.945 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -0.651 11.650 -2.096 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.880 10.798 -2.091 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.228 11.065 -5.132 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.106 9.535 -4.899 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.463 10.933 -3.857 1.00 0.00 H new ATOM 0 HD11 ILE A 90 1.100 12.989 -3.181 1.00 0.00 H new ATOM 0 HD12 ILE A 90 1.395 11.681 -4.352 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.160 12.547 -4.357 1.00 0.00 H new ATOM 1329 N GLN A 91 -3.300 7.854 -2.642 1.00 0.00 N ATOM 1330 CA GLN A 91 -4.264 6.988 -3.266 1.00 0.00 C ATOM 1331 C GLN A 91 -5.298 7.913 -3.857 1.00 0.00 C ATOM 1332 O GLN A 91 -5.963 8.634 -3.110 1.00 0.00 O ATOM 1333 CB GLN A 91 -4.884 6.013 -2.240 1.00 0.00 C ATOM 1334 CG GLN A 91 -5.976 5.109 -2.801 1.00 0.00 C ATOM 1335 CD GLN A 91 -5.479 4.232 -3.937 1.00 0.00 C ATOM 1336 OE1 GLN A 91 -5.507 4.633 -5.100 1.00 0.00 O ATOM 1337 NE2 GLN A 91 -5.054 3.041 -3.626 1.00 0.00 N ATOM 0 H GLN A 91 -3.688 8.428 -1.894 1.00 0.00 H new ATOM 0 HA GLN A 91 -3.813 6.355 -4.030 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -4.091 5.389 -1.827 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -5.298 6.591 -1.414 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -6.366 4.477 -2.003 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -6.804 5.722 -3.156 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -5.045 2.741 -2.651 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -4.731 2.408 -4.357 1.00 0.00 H new ATOM 1346 N ALA A 92 -5.474 7.838 -5.162 1.00 0.00 N ATOM 1347 CA ALA A 92 -6.202 8.848 -5.942 1.00 0.00 C ATOM 1348 C ALA A 92 -7.549 9.221 -5.343 1.00 0.00 C ATOM 1349 O ALA A 92 -8.477 8.416 -5.273 1.00 0.00 O ATOM 1350 CB ALA A 92 -6.364 8.377 -7.370 1.00 0.00 C ATOM 0 H ALA A 92 -5.115 7.068 -5.727 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.602 9.757 -5.919 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -6.905 9.131 -7.943 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.381 8.219 -7.815 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -6.923 7.441 -7.383 1.00 0.00 H new ATOM 1356 N GLY A 93 -7.597 10.439 -4.829 1.00 0.00 N ATOM 1357 CA GLY A 93 -8.782 10.955 -4.220 1.00 0.00 C ATOM 1358 C GLY A 93 -8.468 11.588 -2.894 1.00 0.00 C ATOM 1359 O GLY A 93 -9.054 12.597 -2.517 1.00 0.00 O ATOM 0 H GLY A 93 -6.809 11.087 -4.829 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.244 11.690 -4.879 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.505 10.151 -4.082 1.00 0.00 H new ATOM 1363 N HIS A 94 -7.510 11.025 -2.187 1.00 0.00 N ATOM 1364 CA HIS A 94 -7.134 11.509 -0.865 1.00 0.00 C ATOM 1365 C HIS A 94 -5.670 11.257 -0.651 1.00 0.00 C ATOM 1366 O HIS A 94 -5.074 10.423 -1.329 1.00 0.00 O ATOM 1367 CB HIS A 94 -7.911 10.768 0.254 1.00 0.00 C ATOM 1368 CG HIS A 94 -9.400 10.900 0.197 1.00 0.00 C ATOM 1369 ND1 HIS A 94 -10.217 9.939 -0.357 1.00 0.00 N ATOM 1370 CD2 HIS A 94 -10.219 11.887 0.621 1.00 0.00 C ATOM 1371 CE1 HIS A 94 -11.471 10.332 -0.272 1.00 0.00 C ATOM 1372 NE2 HIS A 94 -11.499 11.510 0.317 1.00 0.00 N ATOM 0 H HIS A 94 -6.969 10.222 -2.507 1.00 0.00 H new ATOM 0 HA HIS A 94 -7.369 12.572 -0.818 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -7.655 9.709 0.211 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -7.567 11.140 1.219 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -9.920 12.803 1.109 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -12.331 9.782 -0.625 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -12.339 12.053 0.515 1.00 0.00 H new ATOM 1381 N ILE A 95 -5.085 11.961 0.251 1.00 0.00 N ATOM 1382 CA ILE A 95 -3.738 11.667 0.612 1.00 0.00 C ATOM 1383 C ILE A 95 -3.804 10.909 1.925 1.00 0.00 C ATOM 1384 O ILE A 95 -4.340 11.385 2.895 1.00 0.00 O ATOM 1385 CB ILE A 95 -2.822 12.936 0.670 1.00 0.00 C ATOM 1386 CG1 ILE A 95 -1.364 12.540 0.952 1.00 0.00 C ATOM 1387 CG2 ILE A 95 -3.323 13.960 1.687 1.00 0.00 C ATOM 1388 CD1 ILE A 95 -0.380 13.688 0.829 1.00 0.00 C ATOM 0 H ILE A 95 -5.511 12.741 0.752 1.00 0.00 H new ATOM 0 HA ILE A 95 -3.261 11.056 -0.155 1.00 0.00 H new ATOM 0 HB ILE A 95 -2.865 13.415 -0.308 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -1.299 12.125 1.958 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -1.073 11.749 0.261 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -2.657 14.823 1.693 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -4.329 14.280 1.416 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -3.341 13.509 2.679 1.00 0.00 H new ATOM 0 HD11 ILE A 95 0.627 13.329 1.043 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.415 14.090 -0.184 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -0.644 14.471 1.539 1.00 0.00 H new ATOM 1400 N TRP A 96 -3.330 9.724 1.923 1.00 0.00 N ATOM 1401 CA TRP A 96 -3.501 8.858 3.044 1.00 0.00 C ATOM 1402 C TRP A 96 -2.267 8.838 3.885 1.00 0.00 C ATOM 1403 O TRP A 96 -1.147 8.762 3.374 1.00 0.00 O ATOM 1404 CB TRP A 96 -3.873 7.440 2.584 1.00 0.00 C ATOM 1405 CG TRP A 96 -5.185 7.370 1.847 1.00 0.00 C ATOM 1406 CD1 TRP A 96 -5.427 7.774 0.572 1.00 0.00 C ATOM 1407 CD2 TRP A 96 -6.429 6.858 2.338 1.00 0.00 C ATOM 1408 NE1 TRP A 96 -6.738 7.555 0.243 1.00 0.00 N ATOM 1409 CE2 TRP A 96 -7.374 6.995 1.305 1.00 0.00 C ATOM 1410 CE3 TRP A 96 -6.838 6.300 3.545 1.00 0.00 C ATOM 1411 CZ2 TRP A 96 -8.695 6.602 1.446 1.00 0.00 C ATOM 1412 CZ3 TRP A 96 -8.149 5.906 3.684 1.00 0.00 C ATOM 1413 CH2 TRP A 96 -9.064 6.058 2.640 1.00 0.00 C ATOM 0 H TRP A 96 -2.809 9.316 1.146 1.00 0.00 H new ATOM 0 HA TRP A 96 -4.321 9.241 3.652 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -3.082 7.057 1.939 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -3.919 6.785 3.454 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -4.690 8.206 -0.088 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -7.168 7.777 -0.655 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -6.139 6.178 4.359 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -9.405 6.722 0.641 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -8.476 5.471 4.617 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -10.086 5.738 2.782 1.00 0.00 H new ATOM 1424 N ILE A 97 -2.451 8.936 5.155 1.00 0.00 N ATOM 1425 CA ILE A 97 -1.346 8.860 6.052 1.00 0.00 C ATOM 1426 C ILE A 97 -1.288 7.463 6.643 1.00 0.00 C ATOM 1427 O ILE A 97 -2.317 6.909 7.058 1.00 0.00 O ATOM 1428 CB ILE A 97 -1.395 9.944 7.169 1.00 0.00 C ATOM 1429 CG1 ILE A 97 -2.646 9.797 8.050 1.00 0.00 C ATOM 1430 CG2 ILE A 97 -1.353 11.335 6.534 1.00 0.00 C ATOM 1431 CD1 ILE A 97 -2.653 10.691 9.279 1.00 0.00 C ATOM 0 H ILE A 97 -3.359 9.070 5.600 1.00 0.00 H new ATOM 0 HA ILE A 97 -0.436 9.062 5.487 1.00 0.00 H new ATOM 0 HB ILE A 97 -0.526 9.809 7.813 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -3.528 10.019 7.449 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.731 8.758 8.370 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -1.387 12.093 7.316 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -0.432 11.446 5.961 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -2.210 11.458 5.871 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -3.570 10.525 9.845 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -1.793 10.455 9.905 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -2.602 11.735 8.970 1.00 0.00 H new ATOM 1443 N GLY A 98 -0.121 6.889 6.624 1.00 0.00 N ATOM 1444 CA GLY A 98 0.068 5.563 7.109 1.00 0.00 C ATOM 1445 C GLY A 98 0.709 5.565 8.459 1.00 0.00 C ATOM 1446 O GLY A 98 1.757 6.210 8.669 1.00 0.00 O ATOM 0 H GLY A 98 0.726 7.333 6.270 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.893 5.052 7.161 1.00 0.00 H new ATOM 0 HA3 GLY A 98 0.689 5.003 6.410 1.00 0.00 H new ATOM 1450 N TYR A 99 0.086 4.885 9.378 1.00 0.00 N ATOM 1451 CA TYR A 99 0.573 4.785 10.723 1.00 0.00 C ATOM 1452 C TYR A 99 0.127 3.474 11.339 1.00 0.00 C ATOM 1453 O TYR A 99 -0.727 2.770 10.788 1.00 0.00 O ATOM 1454 CB TYR A 99 0.112 5.997 11.577 1.00 0.00 C ATOM 1455 CG TYR A 99 -1.397 6.230 11.633 1.00 0.00 C ATOM 1456 CD1 TYR A 99 -2.063 6.856 10.581 1.00 0.00 C ATOM 1457 CD2 TYR A 99 -2.147 5.845 12.741 1.00 0.00 C ATOM 1458 CE1 TYR A 99 -3.422 7.087 10.627 1.00 0.00 C ATOM 1459 CE2 TYR A 99 -3.513 6.077 12.794 1.00 0.00 C ATOM 1460 CZ TYR A 99 -4.143 6.700 11.732 1.00 0.00 C ATOM 1461 OH TYR A 99 -5.503 6.932 11.776 1.00 0.00 O ATOM 0 H TYR A 99 -0.784 4.379 9.212 1.00 0.00 H new ATOM 0 HA TYR A 99 1.663 4.802 10.701 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.479 5.862 12.595 1.00 0.00 H new ATOM 0 HB3 TYR A 99 0.586 6.897 11.184 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -1.503 7.167 9.711 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -1.657 5.358 13.572 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -3.918 7.570 9.798 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -4.082 5.773 13.660 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.865 6.598 12.624 1.00 0.00 H new ATOM 1471 N ASN A 100 0.709 3.138 12.434 1.00 0.00 N ATOM 1472 CA ASN A 100 0.367 1.944 13.149 1.00 0.00 C ATOM 1473 C ASN A 100 -0.134 2.314 14.519 1.00 0.00 C ATOM 1474 O ASN A 100 0.471 3.128 15.226 1.00 0.00 O ATOM 1475 CB ASN A 100 1.546 0.933 13.229 1.00 0.00 C ATOM 1476 CG ASN A 100 2.837 1.494 13.839 1.00 0.00 C ATOM 1477 OD1 ASN A 100 3.165 2.678 13.690 1.00 0.00 O ATOM 1478 ND2 ASN A 100 3.569 0.663 14.534 1.00 0.00 N ATOM 0 H ASN A 100 1.448 3.688 12.872 1.00 0.00 H new ATOM 0 HA ASN A 100 -0.423 1.434 12.598 1.00 0.00 H new ATOM 0 HB2 ASN A 100 1.228 0.072 13.817 1.00 0.00 H new ATOM 0 HB3 ASN A 100 1.764 0.570 12.224 1.00 0.00 H new ATOM 0 HD21 ASN A 100 4.433 0.986 14.969 1.00 0.00 H new ATOM 0 HD22 ASN A 100 3.276 -0.308 14.641 1.00 0.00 H new ATOM 1485 N ALA A 101 -1.255 1.766 14.871 1.00 0.00 N ATOM 1486 CA ALA A 101 -1.861 2.048 16.131 1.00 0.00 C ATOM 1487 C ALA A 101 -1.489 0.983 17.134 1.00 0.00 C ATOM 1488 O ALA A 101 -1.334 -0.184 16.775 1.00 0.00 O ATOM 1489 CB ALA A 101 -3.373 2.146 15.991 1.00 0.00 C ATOM 0 H ALA A 101 -1.776 1.109 14.290 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.491 3.010 16.487 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -3.815 2.362 16.964 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.623 2.946 15.294 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.766 1.201 15.615 1.00 0.00 H new ATOM 1495 N TYR A 102 -1.387 1.400 18.384 1.00 0.00 N ATOM 1496 CA TYR A 102 -1.036 0.567 19.561 1.00 0.00 C ATOM 1497 C TYR A 102 -1.796 -0.773 19.667 1.00 0.00 C ATOM 1498 O TYR A 102 -1.337 -1.707 20.324 1.00 0.00 O ATOM 1499 CB TYR A 102 -1.242 1.399 20.844 1.00 0.00 C ATOM 1500 CG TYR A 102 -2.599 2.095 20.942 1.00 0.00 C ATOM 1501 CD1 TYR A 102 -3.712 1.450 21.470 1.00 0.00 C ATOM 1502 CD2 TYR A 102 -2.756 3.407 20.502 1.00 0.00 C ATOM 1503 CE1 TYR A 102 -4.937 2.090 21.555 1.00 0.00 C ATOM 1504 CE2 TYR A 102 -3.975 4.052 20.585 1.00 0.00 C ATOM 1505 CZ TYR A 102 -5.061 3.392 21.111 1.00 0.00 C ATOM 1506 OH TYR A 102 -6.285 4.039 21.195 1.00 0.00 O ATOM 0 H TYR A 102 -1.552 2.374 18.637 1.00 0.00 H new ATOM 0 HA TYR A 102 0.009 0.285 19.431 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -1.121 0.746 21.708 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -0.457 2.153 20.902 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -3.619 0.432 21.820 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -1.907 3.931 20.087 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -5.792 1.573 21.967 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -4.075 5.070 20.238 1.00 0.00 H new ATOM 0 HH TYR A 102 -6.199 4.949 20.841 1.00 0.00 H new ATOM 1516 N ASN A 103 -2.930 -0.869 19.021 1.00 0.00 N ATOM 1517 CA ASN A 103 -3.756 -2.069 19.093 1.00 0.00 C ATOM 1518 C ASN A 103 -3.357 -3.092 17.983 1.00 0.00 C ATOM 1519 O ASN A 103 -3.962 -4.163 17.838 1.00 0.00 O ATOM 1520 CB ASN A 103 -5.248 -1.655 19.040 1.00 0.00 C ATOM 1521 CG ASN A 103 -6.235 -2.796 19.245 1.00 0.00 C ATOM 1522 OD1 ASN A 103 -6.569 -3.152 20.379 1.00 0.00 O ATOM 1523 ND2 ASN A 103 -6.764 -3.311 18.180 1.00 0.00 N ATOM 0 H ASN A 103 -3.313 -0.130 18.432 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.588 -2.586 20.038 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -5.427 -0.897 19.802 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -5.447 -1.190 18.075 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -7.479 -4.033 18.264 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -6.465 -2.994 17.258 1.00 0.00 H new ATOM 1530 N GLY A 104 -2.309 -2.757 17.229 1.00 0.00 N ATOM 1531 CA GLY A 104 -1.797 -3.650 16.194 1.00 0.00 C ATOM 1532 C GLY A 104 -2.426 -3.385 14.856 1.00 0.00 C ATOM 1533 O GLY A 104 -2.349 -4.208 13.932 1.00 0.00 O ATOM 0 H GLY A 104 -1.801 -1.877 17.317 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -0.716 -3.531 16.116 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -1.984 -4.684 16.483 1.00 0.00 H new ATOM 1537 N ASN A 105 -3.031 -2.235 14.741 1.00 0.00 N ATOM 1538 CA ASN A 105 -3.742 -1.862 13.567 1.00 0.00 C ATOM 1539 C ASN A 105 -2.888 -1.030 12.651 1.00 0.00 C ATOM 1540 O ASN A 105 -2.332 -0.004 13.057 1.00 0.00 O ATOM 1541 CB ASN A 105 -4.996 -1.074 13.929 1.00 0.00 C ATOM 1542 CG ASN A 105 -6.001 -1.857 14.732 1.00 0.00 C ATOM 1543 OD1 ASN A 105 -5.944 -1.874 15.954 1.00 0.00 O ATOM 1544 ND2 ASN A 105 -6.934 -2.487 14.068 1.00 0.00 N ATOM 0 H ASN A 105 -3.039 -1.526 15.475 1.00 0.00 H new ATOM 0 HA ASN A 105 -4.021 -2.781 13.051 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -4.706 -0.188 14.494 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -5.471 -0.726 13.012 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -7.648 -3.016 14.569 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -6.948 -2.449 13.049 1.00 0.00 H new ATOM 1551 N ARG A 106 -2.762 -1.486 11.445 1.00 0.00 N ATOM 1552 CA ARG A 106 -2.119 -0.749 10.392 1.00 0.00 C ATOM 1553 C ARG A 106 -3.191 0.194 9.854 1.00 0.00 C ATOM 1554 O ARG A 106 -4.145 -0.256 9.253 1.00 0.00 O ATOM 1555 CB ARG A 106 -1.686 -1.746 9.304 1.00 0.00 C ATOM 1556 CG ARG A 106 -0.962 -1.153 8.112 1.00 0.00 C ATOM 1557 CD ARG A 106 0.399 -0.597 8.477 1.00 0.00 C ATOM 1558 NE ARG A 106 1.071 -0.082 7.289 1.00 0.00 N ATOM 1559 CZ ARG A 106 2.264 0.519 7.258 1.00 0.00 C ATOM 1560 NH1 ARG A 106 3.035 0.565 8.340 1.00 0.00 N ATOM 1561 NH2 ARG A 106 2.693 1.022 6.127 1.00 0.00 N ATOM 0 H ARG A 106 -3.109 -2.400 11.154 1.00 0.00 H new ATOM 0 HA ARG A 106 -1.239 -0.199 10.724 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -1.039 -2.495 9.761 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -2.572 -2.268 8.943 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -0.844 -1.918 7.345 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -1.571 -0.359 7.679 1.00 0.00 H new ATOM 0 HD2 ARG A 106 0.289 0.198 9.214 1.00 0.00 H new ATOM 0 HD3 ARG A 106 1.006 -1.376 8.937 1.00 0.00 H new ATOM 0 HE ARG A 106 0.585 -0.191 6.399 1.00 0.00 H new ATOM 0 HH11 ARG A 106 2.718 0.138 9.210 1.00 0.00 H new ATOM 0 HH12 ARG A 106 3.943 1.028 8.300 1.00 0.00 H new ATOM 0 HH21 ARG A 106 2.119 0.952 5.287 1.00 0.00 H new ATOM 0 HH22 ARG A 106 3.601 1.484 6.086 1.00 0.00 H new ATOM 1575 N VAL A 107 -3.079 1.465 10.099 1.00 0.00 N ATOM 1576 CA VAL A 107 -4.172 2.354 9.763 1.00 0.00 C ATOM 1577 C VAL A 107 -3.759 3.407 8.743 1.00 0.00 C ATOM 1578 O VAL A 107 -2.634 3.920 8.777 1.00 0.00 O ATOM 1579 CB VAL A 107 -4.745 3.056 11.035 1.00 0.00 C ATOM 1580 CG1 VAL A 107 -6.011 3.809 10.710 1.00 0.00 C ATOM 1581 CG2 VAL A 107 -5.005 2.065 12.154 1.00 0.00 C ATOM 0 H VAL A 107 -2.265 1.911 10.521 1.00 0.00 H new ATOM 0 HA VAL A 107 -4.949 1.732 9.319 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.990 3.764 11.378 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -6.391 4.289 11.612 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -5.800 4.568 9.957 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -6.759 3.115 10.326 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -5.403 2.592 13.021 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.727 1.320 11.820 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.072 1.571 12.426 1.00 0.00 H new ATOM 1591 N TYR A 108 -4.657 3.679 7.819 1.00 0.00 N ATOM 1592 CA TYR A 108 -4.501 4.716 6.840 1.00 0.00 C ATOM 1593 C TYR A 108 -5.666 5.683 6.947 1.00 0.00 C ATOM 1594 O TYR A 108 -6.839 5.276 6.894 1.00 0.00 O ATOM 1595 CB TYR A 108 -4.406 4.136 5.422 1.00 0.00 C ATOM 1596 CG TYR A 108 -3.090 3.457 5.128 1.00 0.00 C ATOM 1597 CD1 TYR A 108 -2.842 2.149 5.522 1.00 0.00 C ATOM 1598 CD2 TYR A 108 -2.089 4.140 4.461 1.00 0.00 C ATOM 1599 CE1 TYR A 108 -1.630 1.548 5.253 1.00 0.00 C ATOM 1600 CE2 TYR A 108 -0.880 3.547 4.191 1.00 0.00 C ATOM 1601 CZ TYR A 108 -0.652 2.256 4.585 1.00 0.00 C ATOM 1602 OH TYR A 108 0.561 1.664 4.320 1.00 0.00 O ATOM 0 H TYR A 108 -5.535 3.168 7.732 1.00 0.00 H new ATOM 0 HA TYR A 108 -3.569 5.246 7.036 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -5.214 3.419 5.278 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -4.559 4.938 4.700 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -3.607 1.595 6.045 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -2.261 5.159 4.147 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -1.448 0.530 5.563 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -0.111 4.098 3.669 1.00 0.00 H new ATOM 0 HH TYR A 108 1.219 2.354 4.092 1.00 0.00 H new ATOM 1612 N CYS A 109 -5.357 6.936 7.137 1.00 0.00 N ATOM 1613 CA CYS A 109 -6.371 7.957 7.270 1.00 0.00 C ATOM 1614 C CYS A 109 -6.367 8.831 6.020 1.00 0.00 C ATOM 1615 O CYS A 109 -5.301 9.235 5.564 1.00 0.00 O ATOM 1616 CB CYS A 109 -6.129 8.795 8.539 1.00 0.00 C ATOM 1617 SG CYS A 109 -7.422 10.008 8.911 1.00 0.00 S ATOM 0 H CYS A 109 -4.400 7.282 7.205 1.00 0.00 H new ATOM 0 HA CYS A 109 -7.351 7.490 7.369 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -6.029 8.120 9.389 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -5.179 9.319 8.435 1.00 0.00 H new ATOM 0 HG CYS A 109 -7.114 10.651 9.998 1.00 0.00 H new ATOM 1623 N PRO A 110 -7.561 9.104 5.433 1.00 0.00 N ATOM 1624 CA PRO A 110 -7.686 9.879 4.183 1.00 0.00 C ATOM 1625 C PRO A 110 -7.347 11.366 4.329 1.00 0.00 C ATOM 1626 O PRO A 110 -7.084 12.013 3.335 1.00 0.00 O ATOM 1627 CB PRO A 110 -9.157 9.703 3.799 1.00 0.00 C ATOM 1628 CG PRO A 110 -9.855 9.422 5.082 1.00 0.00 C ATOM 1629 CD PRO A 110 -8.881 8.644 5.921 1.00 0.00 C ATOM 0 HA PRO A 110 -6.978 9.522 3.436 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -9.551 10.601 3.323 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -9.286 8.884 3.091 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -10.146 10.348 5.579 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -10.768 8.851 4.913 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -9.011 8.851 6.983 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -9.006 7.569 5.788 1.00 0.00 H new ATOM 1637 N VAL A 111 -7.417 11.872 5.584 1.00 0.00 N ATOM 1638 CA VAL A 111 -7.065 13.268 6.038 1.00 0.00 C ATOM 1639 C VAL A 111 -7.581 14.481 5.200 1.00 0.00 C ATOM 1640 O VAL A 111 -8.218 15.392 5.756 1.00 0.00 O ATOM 1641 CB VAL A 111 -5.572 13.438 6.447 1.00 0.00 C ATOM 1642 CG1 VAL A 111 -5.237 12.513 7.585 1.00 0.00 C ATOM 1643 CG2 VAL A 111 -4.623 13.207 5.292 1.00 0.00 C ATOM 0 H VAL A 111 -7.737 11.296 6.362 1.00 0.00 H new ATOM 0 HA VAL A 111 -7.682 13.329 6.935 1.00 0.00 H new ATOM 0 HB VAL A 111 -5.444 14.473 6.765 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.191 12.641 7.862 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -5.870 12.745 8.441 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -5.407 11.481 7.277 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -3.596 13.338 5.633 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -4.752 12.194 4.912 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -4.836 13.922 4.498 1.00 0.00 H new ATOM 1653 N ARG A 112 -7.290 14.513 3.915 1.00 0.00 N ATOM 1654 CA ARG A 112 -7.753 15.553 3.032 1.00 0.00 C ATOM 1655 C ARG A 112 -7.843 15.045 1.612 1.00 0.00 C ATOM 1656 O ARG A 112 -7.101 14.130 1.213 1.00 0.00 O ATOM 1657 CB ARG A 112 -6.901 16.841 3.098 1.00 0.00 C ATOM 1658 CG ARG A 112 -5.431 16.719 2.727 1.00 0.00 C ATOM 1659 CD ARG A 112 -4.786 18.101 2.758 1.00 0.00 C ATOM 1660 NE ARG A 112 -3.313 18.071 2.720 1.00 0.00 N ATOM 1661 CZ ARG A 112 -2.533 19.165 2.804 1.00 0.00 C ATOM 1662 NH1 ARG A 112 -3.075 20.369 2.836 1.00 0.00 N ATOM 1663 NH2 ARG A 112 -1.221 19.047 2.856 1.00 0.00 N ATOM 0 H ARG A 112 -6.718 13.806 3.453 1.00 0.00 H new ATOM 0 HA ARG A 112 -8.749 15.828 3.380 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -7.356 17.581 2.440 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -6.962 17.236 4.112 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -4.923 16.052 3.423 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -5.330 16.280 1.734 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -5.150 18.681 1.910 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -5.106 18.621 3.661 1.00 0.00 H new ATOM 0 HE ARG A 112 -2.856 17.164 2.624 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -4.089 20.473 2.797 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -2.480 21.195 2.900 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -0.791 18.122 2.833 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -0.636 19.880 2.920 1.00 0.00 H new ATOM 1677 N THR A 113 -8.776 15.594 0.874 1.00 0.00 N ATOM 1678 CA THR A 113 -8.966 15.271 -0.514 1.00 0.00 C ATOM 1679 C THR A 113 -7.708 15.680 -1.297 1.00 0.00 C ATOM 1680 O THR A 113 -7.236 16.815 -1.152 1.00 0.00 O ATOM 1681 CB THR A 113 -10.170 16.068 -1.041 1.00 0.00 C ATOM 1682 OG1 THR A 113 -11.253 15.957 -0.103 1.00 0.00 O ATOM 1683 CG2 THR A 113 -10.628 15.543 -2.388 1.00 0.00 C ATOM 0 H THR A 113 -9.434 16.288 1.229 1.00 0.00 H new ATOM 0 HA THR A 113 -9.143 14.202 -0.634 1.00 0.00 H new ATOM 0 HB THR A 113 -9.869 17.109 -1.160 1.00 0.00 H new ATOM 0 HG1 THR A 113 -12.024 16.465 -0.432 1.00 0.00 H new ATOM 0 HG21 THR A 113 -11.481 16.126 -2.735 1.00 0.00 H new ATOM 0 HG22 THR A 113 -9.814 15.628 -3.107 1.00 0.00 H new ATOM 0 HG23 THR A 113 -10.919 14.497 -2.291 1.00 0.00 H new ATOM 1691 N CYS A 114 -7.159 14.764 -2.067 1.00 0.00 N ATOM 1692 CA CYS A 114 -5.973 15.012 -2.860 1.00 0.00 C ATOM 1693 C CYS A 114 -5.942 14.138 -4.092 1.00 0.00 C ATOM 1694 O CYS A 114 -5.922 12.909 -4.011 1.00 0.00 O ATOM 1695 CB CYS A 114 -4.672 14.846 -2.050 1.00 0.00 C ATOM 1696 SG CYS A 114 -4.393 16.141 -0.818 1.00 0.00 S ATOM 0 H CYS A 114 -7.527 13.817 -2.161 1.00 0.00 H new ATOM 0 HA CYS A 114 -6.028 16.055 -3.173 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -4.692 13.880 -1.546 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -3.828 14.829 -2.740 1.00 0.00 H new ATOM 0 HG CYS A 114 -5.514 16.748 -0.564 1.00 0.00 H new ATOM 1702 N GLN A 115 -5.972 14.765 -5.215 1.00 0.00 N ATOM 1703 CA GLN A 115 -5.888 14.082 -6.468 1.00 0.00 C ATOM 1704 C GLN A 115 -4.581 14.511 -7.110 1.00 0.00 C ATOM 1705 O GLN A 115 -4.150 15.643 -6.905 1.00 0.00 O ATOM 1706 CB GLN A 115 -7.086 14.464 -7.348 1.00 0.00 C ATOM 1707 CG GLN A 115 -7.195 13.672 -8.640 1.00 0.00 C ATOM 1708 CD GLN A 115 -8.364 14.112 -9.490 1.00 0.00 C ATOM 1709 OE1 GLN A 115 -8.237 14.994 -10.337 1.00 0.00 O ATOM 1710 NE2 GLN A 115 -9.508 13.534 -9.265 1.00 0.00 N ATOM 0 H GLN A 115 -6.056 15.778 -5.296 1.00 0.00 H new ATOM 0 HA GLN A 115 -5.911 13.000 -6.340 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -8.002 14.326 -6.773 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -7.019 15.524 -7.591 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -6.273 13.784 -9.210 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -7.298 12.613 -8.406 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -9.580 12.805 -8.555 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -10.332 13.810 -9.799 1.00 0.00 H new ATOM 1719 N GLY A 116 -3.933 13.634 -7.810 1.00 0.00 N ATOM 1720 CA GLY A 116 -2.701 13.996 -8.436 1.00 0.00 C ATOM 1721 C GLY A 116 -1.712 12.889 -8.370 1.00 0.00 C ATOM 1722 O GLY A 116 -2.061 11.754 -8.000 1.00 0.00 O ATOM 0 H GLY A 116 -4.233 12.671 -7.962 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -2.884 14.260 -9.478 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -2.291 14.881 -7.950 1.00 0.00 H new ATOM 1726 N VAL A 117 -0.501 13.197 -8.721 1.00 0.00 N ATOM 1727 CA VAL A 117 0.593 12.260 -8.706 1.00 0.00 C ATOM 1728 C VAL A 117 1.805 12.950 -8.117 1.00 0.00 C ATOM 1729 O VAL A 117 1.994 14.150 -8.353 1.00 0.00 O ATOM 1730 CB VAL A 117 0.936 11.673 -10.120 1.00 0.00 C ATOM 1731 CG1 VAL A 117 -0.156 10.729 -10.596 1.00 0.00 C ATOM 1732 CG2 VAL A 117 1.158 12.782 -11.150 1.00 0.00 C ATOM 0 H VAL A 117 -0.234 14.130 -9.035 1.00 0.00 H new ATOM 0 HA VAL A 117 0.291 11.408 -8.098 1.00 0.00 H new ATOM 0 HB VAL A 117 1.865 11.112 -10.020 1.00 0.00 H new ATOM 0 HG11 VAL A 117 0.106 10.336 -11.578 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -0.257 9.905 -9.890 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -1.101 11.269 -10.661 1.00 0.00 H new ATOM 0 HG21 VAL A 117 1.393 12.338 -12.117 1.00 0.00 H new ATOM 0 HG22 VAL A 117 0.253 13.384 -11.237 1.00 0.00 H new ATOM 0 HG23 VAL A 117 1.986 13.415 -10.830 1.00 0.00 H new ATOM 1742 N PRO A 118 2.612 12.219 -7.315 1.00 0.00 N ATOM 1743 CA PRO A 118 3.802 12.759 -6.642 1.00 0.00 C ATOM 1744 C PRO A 118 4.663 13.651 -7.555 1.00 0.00 C ATOM 1745 O PRO A 118 5.076 13.221 -8.635 1.00 0.00 O ATOM 1746 CB PRO A 118 4.581 11.501 -6.277 1.00 0.00 C ATOM 1747 CG PRO A 118 3.533 10.484 -6.027 1.00 0.00 C ATOM 1748 CD PRO A 118 2.419 10.783 -6.993 1.00 0.00 C ATOM 0 HA PRO A 118 3.531 13.396 -5.800 1.00 0.00 H new ATOM 0 HB2 PRO A 118 5.247 11.197 -7.085 1.00 0.00 H new ATOM 0 HB3 PRO A 118 5.201 11.659 -5.395 1.00 0.00 H new ATOM 0 HG2 PRO A 118 3.922 9.478 -6.181 1.00 0.00 H new ATOM 0 HG3 PRO A 118 3.179 10.534 -4.997 1.00 0.00 H new ATOM 0 HD2 PRO A 118 2.484 10.160 -7.885 1.00 0.00 H new ATOM 0 HD3 PRO A 118 1.442 10.600 -6.547 1.00 0.00 H new ATOM 1756 N PRO A 119 4.988 14.881 -7.124 1.00 0.00 N ATOM 1757 CA PRO A 119 4.602 15.423 -5.828 1.00 0.00 C ATOM 1758 C PRO A 119 3.333 16.294 -5.863 1.00 0.00 C ATOM 1759 O PRO A 119 2.774 16.617 -4.799 1.00 0.00 O ATOM 1760 CB PRO A 119 5.807 16.309 -5.477 1.00 0.00 C ATOM 1761 CG PRO A 119 6.606 16.477 -6.751 1.00 0.00 C ATOM 1762 CD PRO A 119 5.810 15.842 -7.855 1.00 0.00 C ATOM 0 HA PRO A 119 4.369 14.627 -5.121 1.00 0.00 H new ATOM 0 HB2 PRO A 119 5.479 17.276 -5.095 1.00 0.00 H new ATOM 0 HB3 PRO A 119 6.413 15.848 -4.697 1.00 0.00 H new ATOM 0 HG2 PRO A 119 6.782 17.532 -6.960 1.00 0.00 H new ATOM 0 HG3 PRO A 119 7.583 16.003 -6.659 1.00 0.00 H new ATOM 0 HD2 PRO A 119 5.204 16.571 -8.392 1.00 0.00 H new ATOM 0 HD3 PRO A 119 6.450 15.355 -8.591 1.00 0.00 H new ATOM 1770 N ASN A 120 2.855 16.624 -7.062 1.00 0.00 N ATOM 1771 CA ASN A 120 1.752 17.571 -7.215 1.00 0.00 C ATOM 1772 C ASN A 120 0.428 16.961 -6.783 1.00 0.00 C ATOM 1773 O ASN A 120 -0.176 16.142 -7.485 1.00 0.00 O ATOM 1774 CB ASN A 120 1.653 18.064 -8.669 1.00 0.00 C ATOM 1775 CG ASN A 120 0.602 19.152 -8.865 1.00 0.00 C ATOM 1776 OD1 ASN A 120 0.343 19.956 -7.971 1.00 0.00 O ATOM 1777 ND2 ASN A 120 -0.009 19.184 -10.022 1.00 0.00 N ATOM 0 H ASN A 120 3.214 16.250 -7.940 1.00 0.00 H new ATOM 0 HA ASN A 120 1.963 18.421 -6.566 1.00 0.00 H new ATOM 0 HB2 ASN A 120 2.624 18.446 -8.983 1.00 0.00 H new ATOM 0 HB3 ASN A 120 1.418 17.220 -9.317 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -0.723 19.890 -10.202 1.00 0.00 H new ATOM 0 HD22 ASN A 120 0.229 18.503 -10.743 1.00 0.00 H new ATOM 1784 N HIS A 121 0.036 17.319 -5.598 1.00 0.00 N ATOM 1785 CA HIS A 121 -1.216 16.909 -5.016 1.00 0.00 C ATOM 1786 C HIS A 121 -2.204 18.067 -4.994 1.00 0.00 C ATOM 1787 O HIS A 121 -1.880 19.129 -4.476 1.00 0.00 O ATOM 1788 CB HIS A 121 -1.002 16.285 -3.609 1.00 0.00 C ATOM 1789 CG HIS A 121 -0.213 17.132 -2.632 1.00 0.00 C ATOM 1790 ND1 HIS A 121 1.167 17.132 -2.579 1.00 0.00 N ATOM 1791 CD2 HIS A 121 -0.616 17.993 -1.671 1.00 0.00 C ATOM 1792 CE1 HIS A 121 1.571 17.943 -1.628 1.00 0.00 C ATOM 1793 NE2 HIS A 121 0.514 18.485 -1.062 1.00 0.00 N ATOM 0 H HIS A 121 0.590 17.921 -4.989 1.00 0.00 H new ATOM 0 HA HIS A 121 -1.650 16.129 -5.641 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -1.978 16.073 -3.173 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -0.492 15.329 -3.729 1.00 0.00 H new ATOM 0 HD1 HIS A 121 1.779 16.586 -3.185 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -1.637 18.247 -1.427 1.00 0.00 H new ATOM 0 HE1 HIS A 121 2.599 18.133 -1.356 1.00 0.00 H new ATOM 1802 N ILE A 122 -3.367 17.877 -5.558 1.00 0.00 N ATOM 1803 CA ILE A 122 -4.418 18.895 -5.540 1.00 0.00 C ATOM 1804 C ILE A 122 -5.212 18.741 -4.225 1.00 0.00 C ATOM 1805 O ILE A 122 -5.927 17.748 -4.060 1.00 0.00 O ATOM 1806 CB ILE A 122 -5.396 18.709 -6.751 1.00 0.00 C ATOM 1807 CG1 ILE A 122 -4.636 18.740 -8.103 1.00 0.00 C ATOM 1808 CG2 ILE A 122 -6.522 19.750 -6.737 1.00 0.00 C ATOM 1809 CD1 ILE A 122 -3.868 20.023 -8.382 1.00 0.00 C ATOM 0 H ILE A 122 -3.626 17.019 -6.045 1.00 0.00 H new ATOM 0 HA ILE A 122 -3.964 19.883 -5.612 1.00 0.00 H new ATOM 0 HB ILE A 122 -5.853 17.725 -6.643 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -3.937 17.904 -8.129 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -5.353 18.581 -8.909 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -7.178 19.588 -7.592 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -7.096 19.653 -5.815 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -6.093 20.751 -6.794 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -3.371 19.947 -9.349 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -4.559 20.866 -8.395 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -3.122 20.177 -7.602 1.00 0.00 H new ATOM 1821 N PRO A 123 -5.059 19.672 -3.257 1.00 0.00 N ATOM 1822 CA PRO A 123 -5.728 19.585 -1.972 1.00 0.00 C ATOM 1823 C PRO A 123 -7.145 20.159 -1.997 1.00 0.00 C ATOM 1824 O PRO A 123 -7.358 21.326 -2.362 1.00 0.00 O ATOM 1825 CB PRO A 123 -4.839 20.419 -1.036 1.00 0.00 C ATOM 1826 CG PRO A 123 -3.799 21.059 -1.910 1.00 0.00 C ATOM 1827 CD PRO A 123 -4.249 20.887 -3.332 1.00 0.00 C ATOM 0 HA PRO A 123 -5.848 18.547 -1.661 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -5.425 21.174 -0.512 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -4.376 19.790 -0.276 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -3.689 22.116 -1.666 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -2.826 20.593 -1.755 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -4.829 21.741 -3.681 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -3.407 20.773 -4.014 1.00 0.00 H new ATOM 1835 N GLY A 124 -8.091 19.348 -1.616 1.00 0.00 N ATOM 1836 CA GLY A 124 -9.458 19.771 -1.542 1.00 0.00 C ATOM 1837 C GLY A 124 -9.846 20.132 -0.130 1.00 0.00 C ATOM 1838 O GLY A 124 -9.353 21.118 0.420 1.00 0.00 O ATOM 0 H GLY A 124 -7.935 18.376 -1.348 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -9.610 20.631 -2.194 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -10.107 18.975 -1.907 1.00 0.00 H new ATOM 1842 N VAL A 125 -10.686 19.323 0.477 1.00 0.00 N ATOM 1843 CA VAL A 125 -11.170 19.588 1.819 1.00 0.00 C ATOM 1844 C VAL A 125 -10.317 18.853 2.843 1.00 0.00 C ATOM 1845 O VAL A 125 -10.134 17.631 2.744 1.00 0.00 O ATOM 1846 CB VAL A 125 -12.654 19.156 1.982 1.00 0.00 C ATOM 1847 CG1 VAL A 125 -13.183 19.500 3.374 1.00 0.00 C ATOM 1848 CG2 VAL A 125 -13.516 19.801 0.910 1.00 0.00 C ATOM 0 H VAL A 125 -11.053 18.467 0.060 1.00 0.00 H new ATOM 0 HA VAL A 125 -11.101 20.663 1.987 1.00 0.00 H new ATOM 0 HB VAL A 125 -12.702 18.073 1.865 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -14.223 19.185 3.456 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -12.587 18.984 4.127 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -13.116 20.576 3.533 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -14.552 19.488 1.039 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -13.452 20.886 0.995 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -13.164 19.493 -0.074 1.00 0.00 H new ATOM 1858 N ALA A 126 -9.742 19.602 3.763 1.00 0.00 N ATOM 1859 CA ALA A 126 -8.976 19.040 4.854 1.00 0.00 C ATOM 1860 C ALA A 126 -9.855 18.865 6.078 1.00 0.00 C ATOM 1861 O ALA A 126 -10.638 19.757 6.412 1.00 0.00 O ATOM 1862 CB ALA A 126 -7.778 19.920 5.177 1.00 0.00 C ATOM 0 H ALA A 126 -9.794 20.621 3.774 1.00 0.00 H new ATOM 0 HA ALA A 126 -8.607 18.061 4.549 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -7.215 19.480 6.000 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -7.137 19.998 4.299 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -8.123 20.913 5.464 1.00 0.00 H new ATOM 1868 N TRP A 127 -9.736 17.739 6.745 1.00 0.00 N ATOM 1869 CA TRP A 127 -10.530 17.485 7.940 1.00 0.00 C ATOM 1870 C TRP A 127 -9.703 17.693 9.220 1.00 0.00 C ATOM 1871 O TRP A 127 -10.105 17.287 10.333 1.00 0.00 O ATOM 1872 CB TRP A 127 -11.141 16.079 7.895 1.00 0.00 C ATOM 1873 CG TRP A 127 -12.088 15.877 6.742 1.00 0.00 C ATOM 1874 CD1 TRP A 127 -13.272 16.524 6.537 1.00 0.00 C ATOM 1875 CD2 TRP A 127 -11.949 14.950 5.654 1.00 0.00 C ATOM 1876 NE1 TRP A 127 -13.855 16.081 5.378 1.00 0.00 N ATOM 1877 CE2 TRP A 127 -13.070 15.115 4.820 1.00 0.00 C ATOM 1878 CE3 TRP A 127 -10.981 14.009 5.298 1.00 0.00 C ATOM 1879 CZ2 TRP A 127 -13.253 14.371 3.656 1.00 0.00 C ATOM 1880 CZ3 TRP A 127 -11.163 13.270 4.145 1.00 0.00 C ATOM 1881 CH2 TRP A 127 -12.289 13.458 3.335 1.00 0.00 C ATOM 0 H TRP A 127 -9.101 16.983 6.487 1.00 0.00 H new ATOM 0 HA TRP A 127 -11.345 18.208 7.961 1.00 0.00 H new ATOM 0 HB2 TRP A 127 -10.339 15.344 7.830 1.00 0.00 H new ATOM 0 HB3 TRP A 127 -11.671 15.891 8.829 1.00 0.00 H new ATOM 0 HD1 TRP A 127 -13.689 17.275 7.192 1.00 0.00 H new ATOM 0 HE1 TRP A 127 -14.737 16.420 4.994 1.00 0.00 H new ATOM 0 HE3 TRP A 127 -10.106 13.861 5.913 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 -14.123 14.511 3.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 -10.424 12.535 3.864 1.00 0.00 H new ATOM 0 HH2 TRP A 127 -12.398 12.868 2.437 1.00 0.00 H new ATOM 1892 N GLY A 128 -8.579 18.358 9.077 1.00 0.00 N ATOM 1893 CA GLY A 128 -7.737 18.614 10.204 1.00 0.00 C ATOM 1894 C GLY A 128 -6.620 19.558 9.870 1.00 0.00 C ATOM 1895 O GLY A 128 -6.579 20.118 8.765 1.00 0.00 O ATOM 0 H GLY A 128 -8.235 18.727 8.191 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -8.334 19.032 11.015 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -7.321 17.674 10.566 1.00 0.00 H new ATOM 1899 N VAL A 129 -5.714 19.707 10.793 1.00 0.00 N ATOM 1900 CA VAL A 129 -4.593 20.601 10.669 1.00 0.00 C ATOM 1901 C VAL A 129 -3.315 19.786 10.554 1.00 0.00 C ATOM 1902 O VAL A 129 -3.039 18.927 11.398 1.00 0.00 O ATOM 1903 CB VAL A 129 -4.490 21.531 11.910 1.00 0.00 C ATOM 1904 CG1 VAL A 129 -3.325 22.490 11.778 1.00 0.00 C ATOM 1905 CG2 VAL A 129 -5.788 22.295 12.134 1.00 0.00 C ATOM 0 H VAL A 129 -5.733 19.198 11.677 1.00 0.00 H new ATOM 0 HA VAL A 129 -4.734 21.215 9.780 1.00 0.00 H new ATOM 0 HB VAL A 129 -4.314 20.899 12.780 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -3.277 23.128 12.660 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -2.397 21.925 11.688 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -3.461 23.108 10.890 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -5.686 22.937 13.009 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -6.006 22.906 11.258 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -6.603 21.589 12.295 1.00 0.00 H new ATOM 1915 N PHE A 130 -2.565 20.037 9.517 1.00 0.00 N ATOM 1916 CA PHE A 130 -1.320 19.340 9.280 1.00 0.00 C ATOM 1917 C PHE A 130 -0.177 20.120 9.858 1.00 0.00 C ATOM 1918 O PHE A 130 -0.111 21.345 9.705 1.00 0.00 O ATOM 1919 CB PHE A 130 -1.093 19.129 7.785 1.00 0.00 C ATOM 1920 CG PHE A 130 -2.094 18.224 7.153 1.00 0.00 C ATOM 1921 CD1 PHE A 130 -3.334 18.701 6.772 1.00 0.00 C ATOM 1922 CD2 PHE A 130 -1.799 16.893 6.950 1.00 0.00 C ATOM 1923 CE1 PHE A 130 -4.259 17.870 6.203 1.00 0.00 C ATOM 1924 CE2 PHE A 130 -2.719 16.056 6.380 1.00 0.00 C ATOM 1925 CZ PHE A 130 -3.953 16.545 6.005 1.00 0.00 C ATOM 0 H PHE A 130 -2.796 20.732 8.807 1.00 0.00 H new ATOM 0 HA PHE A 130 -1.377 18.365 9.765 1.00 0.00 H new ATOM 0 HB2 PHE A 130 -1.120 20.095 7.282 1.00 0.00 H new ATOM 0 HB3 PHE A 130 -0.095 18.718 7.632 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -3.575 19.742 6.926 1.00 0.00 H new ATOM 0 HD2 PHE A 130 -0.834 16.508 7.243 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -5.225 18.253 5.911 1.00 0.00 H new ATOM 0 HE2 PHE A 130 -2.479 15.015 6.224 1.00 0.00 H new ATOM 0 HZ PHE A 130 -4.680 15.885 5.555 1.00 0.00 H new ATOM 1935 N LYS A 131 0.694 19.439 10.529 1.00 0.00 N ATOM 1936 CA LYS A 131 1.849 20.032 11.125 1.00 0.00 C ATOM 1937 C LYS A 131 3.039 19.142 10.839 1.00 0.00 C ATOM 1938 O LYS A 131 3.230 18.156 11.552 1.00 0.00 O ATOM 1939 CB LYS A 131 1.658 20.196 12.641 1.00 0.00 C ATOM 1940 CG LYS A 131 0.477 21.064 13.037 1.00 0.00 C ATOM 1941 CD LYS A 131 0.388 21.217 14.533 1.00 0.00 C ATOM 1942 CE LYS A 131 -0.795 22.064 14.928 1.00 0.00 C ATOM 1943 NZ LYS A 131 -0.850 22.283 16.384 1.00 0.00 N ATOM 1944 OXT LYS A 131 3.785 19.417 9.891 1.00 0.00 O ATOM 0 H LYS A 131 0.622 18.433 10.682 1.00 0.00 H new ATOM 0 HA LYS A 131 2.011 21.024 10.704 1.00 0.00 H new ATOM 0 HB2 LYS A 131 1.533 19.209 13.087 1.00 0.00 H new ATOM 0 HB3 LYS A 131 2.566 20.625 13.064 1.00 0.00 H new ATOM 0 HG2 LYS A 131 0.573 22.046 12.574 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -0.445 20.622 12.659 1.00 0.00 H new ATOM 0 HD2 LYS A 131 0.305 20.234 14.997 1.00 0.00 H new ATOM 0 HD3 LYS A 131 1.305 21.671 14.909 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -0.740 23.026 14.418 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -1.714 21.580 14.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -1.677 22.870 16.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -0.928 21.367 16.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 0.016 22.767 16.695 1.00 0.00 H new