USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 714 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 114 CYS SG : rot 15:sc= 0.514 USER MOD Set 1.2: A 121 HIS : no HE2:sc= 0.488 K(o=1,f=-1.1!) USER MOD Set 2.1: A 103 ASN : amide:sc= 1.04 K(o=2.1,f=0.25) USER MOD Set 2.2: A 105 ASN : amide:sc= 1.04 K(o=2.1,f=0.25) USER MOD Set 3.1: A 44 THR OG1 : rot 150:sc= 0 USER MOD Set 3.2: A 91 GLN : amide:sc= 1.09 K(o=1.1,f=-2.1) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0459) USER MOD Single : A 40 ASN : amide:sc= -0.218 K(o=-0.22,f=-8.3!) USER MOD Single : A 41 GLN : amide:sc= -0.0967 X(o=-0.097,f=-0.12) 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+ 174:sc= 1.23 (180deg=1.2) USER MOD Single : A 50 ASN :FLIP amide:sc= 0 F(o=-0.89,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0.89 K(o=0.89,f=-2.2) USER MOD Single : A 57 ASN : amide:sc= 0.587 K(o=0.59,f=-7.7!) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 62 THR OG1 : rot -170:sc= -0.272 USER MOD Single : A 66 SER OG : rot -123:sc= 0.122 USER MOD Single : A 70 ASN : amide:sc= -0.13 X(o=-0.13,f=-0.13) USER MOD Single : A 76 ASN : amide:sc=-0.00959 X(o=-0.0096,f=-0.31) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 30:sc= 0 USER MOD Single : A 89 CYS SG : rot -147:sc= -2.04! USER MOD Single : A 94 HIS : no HD1:sc= -0.25 X(o=-0.25,f=-0.094) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 57:sc= 1.26 USER MOD Single : A 109 CYS SG : rot -170:sc= -0.569 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0.0134 USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 ASN : amide:sc= -0.174 K(o=-0.17,f=-0.74) USER MOD Single : A 131 LYS NZ :NH3+ 166:sc= -0.0308 (180deg=-0.229) USER MOD ----------------------------------------------------------------- ATOM 504 N TRP A 37 8.795 9.388 -3.050 1.00 0.00 N ATOM 505 CA TRP A 37 7.636 8.595 -3.402 1.00 0.00 C ATOM 506 C TRP A 37 8.077 7.253 -3.967 1.00 0.00 C ATOM 507 O TRP A 37 8.739 7.182 -5.008 1.00 0.00 O ATOM 508 CB TRP A 37 6.710 9.330 -4.392 1.00 0.00 C ATOM 509 CG TRP A 37 6.056 10.571 -3.830 1.00 0.00 C ATOM 510 CD1 TRP A 37 6.392 11.865 -4.083 1.00 0.00 C ATOM 511 CD2 TRP A 37 4.949 10.623 -2.920 1.00 0.00 C ATOM 512 NE1 TRP A 37 5.564 12.718 -3.389 1.00 0.00 N ATOM 513 CE2 TRP A 37 4.677 11.982 -2.669 1.00 0.00 C ATOM 514 CE3 TRP A 37 4.168 9.659 -2.294 1.00 0.00 C ATOM 515 CZ2 TRP A 37 3.654 12.394 -1.821 1.00 0.00 C ATOM 516 CZ3 TRP A 37 3.157 10.073 -1.453 1.00 0.00 C ATOM 517 CH2 TRP A 37 2.909 11.426 -1.222 1.00 0.00 C ATOM 0 HA TRP A 37 7.058 8.427 -2.493 1.00 0.00 H new ATOM 0 HB2 TRP A 37 7.287 9.606 -5.274 1.00 0.00 H new ATOM 0 HB3 TRP A 37 5.932 8.642 -4.723 1.00 0.00 H new ATOM 0 HD1 TRP A 37 7.194 12.178 -4.735 1.00 0.00 H new ATOM 0 HE1 TRP A 37 5.609 13.737 -3.411 1.00 0.00 H new ATOM 0 HE3 TRP A 37 4.349 8.608 -2.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 3.459 13.442 -1.645 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.543 9.333 -0.962 1.00 0.00 H new ATOM 0 HH2 TRP A 37 2.109 11.711 -0.554 1.00 0.00 H new ATOM 528 N LYS A 38 7.724 6.219 -3.268 1.00 0.00 N ATOM 529 CA LYS A 38 8.061 4.871 -3.613 1.00 0.00 C ATOM 530 C LYS A 38 6.726 4.148 -3.782 1.00 0.00 C ATOM 531 O LYS A 38 5.800 4.388 -3.011 1.00 0.00 O ATOM 532 CB LYS A 38 8.877 4.277 -2.442 1.00 0.00 C ATOM 533 CG LYS A 38 9.969 3.269 -2.813 1.00 0.00 C ATOM 534 CD LYS A 38 9.436 1.981 -3.406 1.00 0.00 C ATOM 535 CE LYS A 38 10.583 1.042 -3.754 1.00 0.00 C ATOM 536 NZ LYS A 38 10.113 -0.217 -4.352 1.00 0.00 N ATOM 0 H LYS A 38 7.174 6.292 -2.412 1.00 0.00 H new ATOM 0 HA LYS A 38 8.656 4.785 -4.522 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.342 5.099 -1.898 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.184 3.792 -1.755 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.650 3.732 -3.527 1.00 0.00 H new ATOM 0 HG3 LYS A 38 10.552 3.034 -1.922 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.764 1.497 -2.697 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.852 2.199 -4.300 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.260 1.541 -4.448 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.155 0.822 -2.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.929 -0.823 -4.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.488 -0.708 -3.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.589 -0.012 -5.227 1.00 0.00 H new ATOM 550 N LYS A 39 6.600 3.305 -4.769 1.00 0.00 N ATOM 551 CA LYS A 39 5.322 2.678 -5.020 1.00 0.00 C ATOM 552 C LYS A 39 5.158 1.414 -4.179 1.00 0.00 C ATOM 553 O LYS A 39 6.094 0.634 -4.015 1.00 0.00 O ATOM 554 CB LYS A 39 5.138 2.390 -6.523 1.00 0.00 C ATOM 555 CG LYS A 39 3.742 1.888 -6.913 1.00 0.00 C ATOM 556 CD LYS A 39 3.584 1.743 -8.428 1.00 0.00 C ATOM 557 CE LYS A 39 4.486 0.657 -9.013 1.00 0.00 C ATOM 558 NZ LYS A 39 4.100 -0.700 -8.562 1.00 0.00 N ATOM 0 H LYS A 39 7.350 3.036 -5.406 1.00 0.00 H new ATOM 0 HA LYS A 39 4.537 3.372 -4.720 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.351 3.301 -7.082 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.875 1.648 -6.830 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.557 0.925 -6.436 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.990 2.581 -6.535 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.545 1.511 -8.660 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.812 2.696 -8.906 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.444 0.701 -10.101 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.519 0.852 -8.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.662 -1.409 -9.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.277 -0.790 -7.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.089 -0.855 -8.753 1.00 0.00 H new ATOM 572 N ASN A 40 3.991 1.255 -3.612 1.00 0.00 N ATOM 573 CA ASN A 40 3.638 0.067 -2.859 1.00 0.00 C ATOM 574 C ASN A 40 2.952 -0.869 -3.850 1.00 0.00 C ATOM 575 O ASN A 40 2.425 -0.405 -4.869 1.00 0.00 O ATOM 576 CB ASN A 40 2.687 0.451 -1.681 1.00 0.00 C ATOM 577 CG ASN A 40 2.437 -0.657 -0.640 1.00 0.00 C ATOM 578 OD1 ASN A 40 2.421 -1.840 -0.944 1.00 0.00 O ATOM 579 ND2 ASN A 40 2.255 -0.266 0.602 1.00 0.00 N ATOM 0 H ASN A 40 3.247 1.951 -3.657 1.00 0.00 H new ATOM 0 HA ASN A 40 4.509 -0.416 -2.416 1.00 0.00 H new ATOM 0 HB2 ASN A 40 3.104 1.318 -1.169 1.00 0.00 H new ATOM 0 HB3 ASN A 40 1.727 0.757 -2.097 1.00 0.00 H new ATOM 0 HD21 ASN A 40 2.096 -0.956 1.336 1.00 0.00 H new ATOM 0 HD22 ASN A 40 2.273 0.728 0.832 1.00 0.00 H new ATOM 586 N GLN A 41 2.915 -2.150 -3.545 1.00 0.00 N ATOM 587 CA GLN A 41 2.393 -3.183 -4.449 1.00 0.00 C ATOM 588 C GLN A 41 0.920 -2.958 -4.803 1.00 0.00 C ATOM 589 O GLN A 41 0.444 -3.405 -5.846 1.00 0.00 O ATOM 590 CB GLN A 41 2.588 -4.575 -3.841 1.00 0.00 C ATOM 591 CG GLN A 41 4.036 -4.892 -3.475 1.00 0.00 C ATOM 592 CD GLN A 41 4.988 -4.660 -4.632 1.00 0.00 C ATOM 593 OE1 GLN A 41 5.534 -3.570 -4.789 1.00 0.00 O ATOM 594 NE2 GLN A 41 5.169 -5.649 -5.451 1.00 0.00 N ATOM 0 H GLN A 41 3.248 -2.519 -2.654 1.00 0.00 H new ATOM 0 HA GLN A 41 2.961 -3.113 -5.376 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.970 -4.660 -2.947 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.230 -5.323 -4.548 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.338 -4.274 -2.630 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.107 -5.931 -3.152 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.698 -6.539 -5.288 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.782 -5.537 -6.259 1.00 0.00 H new ATOM 603 N TYR A 42 0.225 -2.220 -3.958 1.00 0.00 N ATOM 604 CA TYR A 42 -1.191 -1.913 -4.163 1.00 0.00 C ATOM 605 C TYR A 42 -1.390 -0.781 -5.189 1.00 0.00 C ATOM 606 O TYR A 42 -2.511 -0.352 -5.439 1.00 0.00 O ATOM 607 CB TYR A 42 -1.859 -1.545 -2.829 1.00 0.00 C ATOM 608 CG TYR A 42 -1.823 -2.656 -1.800 1.00 0.00 C ATOM 609 CD1 TYR A 42 -2.770 -3.674 -1.816 1.00 0.00 C ATOM 610 CD2 TYR A 42 -0.843 -2.689 -0.818 1.00 0.00 C ATOM 611 CE1 TYR A 42 -2.734 -4.694 -0.885 1.00 0.00 C ATOM 612 CE2 TYR A 42 -0.804 -3.702 0.116 1.00 0.00 C ATOM 613 CZ TYR A 42 -1.750 -4.703 0.078 1.00 0.00 C ATOM 614 OH TYR A 42 -1.706 -5.724 1.005 1.00 0.00 O ATOM 0 H TYR A 42 0.619 -1.814 -3.109 1.00 0.00 H new ATOM 0 HA TYR A 42 -1.664 -2.809 -4.564 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -1.366 -0.665 -2.417 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -2.897 -1.270 -3.017 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -3.545 -3.667 -2.568 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -0.098 -1.908 -0.785 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -3.474 -5.480 -0.912 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -0.035 -3.711 0.874 1.00 0.00 H new ATOM 0 HH TYR A 42 -0.951 -5.582 1.613 1.00 0.00 H new ATOM 624 N GLY A 43 -0.297 -0.289 -5.764 1.00 0.00 N ATOM 625 CA GLY A 43 -0.393 0.758 -6.770 1.00 0.00 C ATOM 626 C GLY A 43 -0.484 2.133 -6.155 1.00 0.00 C ATOM 627 O GLY A 43 -0.781 3.121 -6.833 1.00 0.00 O ATOM 0 H GLY A 43 0.653 -0.595 -5.553 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.477 0.712 -7.424 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.270 0.582 -7.393 1.00 0.00 H new ATOM 631 N THR A 44 -0.247 2.187 -4.885 1.00 0.00 N ATOM 632 CA THR A 44 -0.274 3.406 -4.147 1.00 0.00 C ATOM 633 C THR A 44 1.153 3.912 -4.007 1.00 0.00 C ATOM 634 O THR A 44 2.073 3.113 -3.874 1.00 0.00 O ATOM 635 CB THR A 44 -0.854 3.128 -2.758 1.00 0.00 C ATOM 636 OG1 THR A 44 -2.074 2.389 -2.917 1.00 0.00 O ATOM 637 CG2 THR A 44 -1.144 4.422 -2.024 1.00 0.00 C ATOM 0 H THR A 44 -0.025 1.367 -4.320 1.00 0.00 H new ATOM 0 HA THR A 44 -0.886 4.151 -4.656 1.00 0.00 H new ATOM 0 HB THR A 44 -0.130 2.559 -2.174 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.208 1.807 -2.140 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.555 4.198 -1.040 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.221 4.991 -1.911 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.865 5.009 -2.593 1.00 0.00 H new ATOM 645 N TRP A 45 1.342 5.196 -4.055 1.00 0.00 N ATOM 646 CA TRP A 45 2.674 5.758 -3.912 1.00 0.00 C ATOM 647 C TRP A 45 2.815 6.277 -2.514 1.00 0.00 C ATOM 648 O TRP A 45 1.938 6.999 -2.057 1.00 0.00 O ATOM 649 CB TRP A 45 2.885 6.889 -4.908 1.00 0.00 C ATOM 650 CG TRP A 45 2.808 6.461 -6.342 1.00 0.00 C ATOM 651 CD1 TRP A 45 1.680 6.257 -7.082 1.00 0.00 C ATOM 652 CD2 TRP A 45 3.910 6.213 -7.215 1.00 0.00 C ATOM 653 NE1 TRP A 45 2.014 5.884 -8.353 1.00 0.00 N ATOM 654 CE2 TRP A 45 3.377 5.853 -8.465 1.00 0.00 C ATOM 655 CE3 TRP A 45 5.297 6.259 -7.059 1.00 0.00 C ATOM 656 CZ2 TRP A 45 4.182 5.540 -9.553 1.00 0.00 C ATOM 657 CZ3 TRP A 45 6.096 5.951 -8.140 1.00 0.00 C ATOM 658 CH2 TRP A 45 5.536 5.596 -9.371 1.00 0.00 C ATOM 0 H TRP A 45 0.600 5.883 -4.191 1.00 0.00 H new ATOM 0 HA TRP A 45 3.422 4.990 -4.109 1.00 0.00 H new ATOM 0 HB2 TRP A 45 2.137 7.661 -4.729 1.00 0.00 H new ATOM 0 HB3 TRP A 45 3.860 7.342 -4.727 1.00 0.00 H new ATOM 0 HD1 TRP A 45 0.670 6.373 -6.716 1.00 0.00 H new ATOM 0 HE1 TRP A 45 1.353 5.664 -9.098 1.00 0.00 H new ATOM 0 HE3 TRP A 45 5.735 6.531 -6.110 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 3.755 5.263 -10.506 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 7.170 5.985 -8.034 1.00 0.00 H new ATOM 0 HH2 TRP A 45 6.189 5.360 -10.198 1.00 0.00 H new ATOM 669 N TYR A 46 3.875 5.916 -1.827 1.00 0.00 N ATOM 670 CA TYR A 46 4.049 6.346 -0.460 1.00 0.00 C ATOM 671 C TYR A 46 5.452 6.844 -0.213 1.00 0.00 C ATOM 672 O TYR A 46 6.375 6.497 -0.929 1.00 0.00 O ATOM 673 CB TYR A 46 3.705 5.217 0.541 1.00 0.00 C ATOM 674 CG TYR A 46 4.701 4.063 0.631 1.00 0.00 C ATOM 675 CD1 TYR A 46 4.701 3.040 -0.297 1.00 0.00 C ATOM 676 CD2 TYR A 46 5.625 3.999 1.672 1.00 0.00 C ATOM 677 CE1 TYR A 46 5.593 1.985 -0.198 1.00 0.00 C ATOM 678 CE2 TYR A 46 6.511 2.948 1.783 1.00 0.00 C ATOM 679 CZ TYR A 46 6.491 1.944 0.845 1.00 0.00 C ATOM 680 OH TYR A 46 7.366 0.883 0.957 1.00 0.00 O ATOM 0 H TYR A 46 4.626 5.329 -2.191 1.00 0.00 H new ATOM 0 HA TYR A 46 3.355 7.171 -0.299 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.603 5.659 1.532 1.00 0.00 H new ATOM 0 HB3 TYR A 46 2.731 4.808 0.273 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.994 3.063 -1.113 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.648 4.789 2.408 1.00 0.00 H new ATOM 0 HE1 TYR A 46 5.584 1.197 -0.937 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.215 2.914 2.601 1.00 0.00 H new ATOM 0 HH TYR A 46 7.933 1.008 1.747 1.00 0.00 H new ATOM 690 N LYS A 47 5.587 7.660 0.781 1.00 0.00 N ATOM 691 CA LYS A 47 6.859 8.138 1.225 1.00 0.00 C ATOM 692 C LYS A 47 6.900 8.079 2.743 1.00 0.00 C ATOM 693 O LYS A 47 5.920 8.466 3.402 1.00 0.00 O ATOM 694 CB LYS A 47 7.143 9.584 0.741 1.00 0.00 C ATOM 695 CG LYS A 47 6.122 10.641 1.150 1.00 0.00 C ATOM 696 CD LYS A 47 6.667 12.043 0.906 1.00 0.00 C ATOM 697 CE LYS A 47 5.648 13.122 1.240 1.00 0.00 C ATOM 698 NZ LYS A 47 6.256 14.475 1.231 1.00 0.00 N ATOM 0 H LYS A 47 4.800 8.022 1.320 1.00 0.00 H new ATOM 0 HA LYS A 47 7.633 7.501 0.797 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.120 9.886 1.118 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.210 9.575 -0.347 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.200 10.501 0.585 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.871 10.522 2.204 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.563 12.193 1.509 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.966 12.138 -0.138 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.831 13.086 0.520 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.217 12.924 2.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.513 15.190 1.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.949 14.550 2.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.734 14.635 0.321 1.00 0.00 H new ATOM 712 N PRO A 48 7.967 7.536 3.336 1.00 0.00 N ATOM 713 CA PRO A 48 8.119 7.566 4.780 1.00 0.00 C ATOM 714 C PRO A 48 8.466 8.988 5.214 1.00 0.00 C ATOM 715 O PRO A 48 9.501 9.541 4.804 1.00 0.00 O ATOM 716 CB PRO A 48 9.310 6.621 5.052 1.00 0.00 C ATOM 717 CG PRO A 48 9.569 5.914 3.759 1.00 0.00 C ATOM 718 CD PRO A 48 9.073 6.825 2.676 1.00 0.00 C ATOM 0 HA PRO A 48 7.220 7.265 5.317 1.00 0.00 H new ATOM 0 HB2 PRO A 48 10.188 7.180 5.375 1.00 0.00 H new ATOM 0 HB3 PRO A 48 9.074 5.912 5.846 1.00 0.00 H new ATOM 0 HG2 PRO A 48 10.632 5.706 3.636 1.00 0.00 H new ATOM 0 HG3 PRO A 48 9.051 4.956 3.729 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.849 7.510 2.336 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.733 6.269 1.802 1.00 0.00 H new ATOM 726 N GLU A 49 7.643 9.560 6.042 1.00 0.00 N ATOM 727 CA GLU A 49 7.812 10.925 6.479 1.00 0.00 C ATOM 728 C GLU A 49 7.139 11.064 7.831 1.00 0.00 C ATOM 729 O GLU A 49 6.004 10.634 7.999 1.00 0.00 O ATOM 730 CB GLU A 49 7.188 11.877 5.436 1.00 0.00 C ATOM 731 CG GLU A 49 7.400 13.357 5.700 1.00 0.00 C ATOM 732 CD GLU A 49 6.849 14.218 4.585 1.00 0.00 C ATOM 733 OE1 GLU A 49 7.589 14.517 3.613 1.00 0.00 O ATOM 734 OE2 GLU A 49 5.681 14.624 4.647 1.00 0.00 O ATOM 0 H GLU A 49 6.827 9.094 6.439 1.00 0.00 H new ATOM 0 HA GLU A 49 8.866 11.185 6.574 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.601 11.637 4.456 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.116 11.683 5.387 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.919 13.630 6.640 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.465 13.555 5.818 1.00 0.00 H new ATOM 741 N ASN A 50 7.845 11.620 8.780 1.00 0.00 N ATOM 742 CA ASN A 50 7.358 11.740 10.143 1.00 0.00 C ATOM 743 C ASN A 50 6.776 13.107 10.361 1.00 0.00 C ATOM 744 O ASN A 50 7.506 14.089 10.446 1.00 0.00 O ATOM 745 CB ASN A 50 8.497 11.498 11.154 1.00 0.00 C ATOM 746 CG ASN A 50 9.066 10.082 11.137 1.00 0.00 C ATOM 747 OD1 ASN A 50 8.233 9.091 10.967 1.00 0.00 O flip ATOM 748 ND2 ASN A 50 10.264 9.883 11.333 1.00 0.00 N flip ATOM 0 H ASN A 50 8.778 12.006 8.636 1.00 0.00 H new ATOM 0 HA ASN A 50 6.586 10.986 10.298 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.303 12.203 10.950 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.129 11.716 12.156 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.897 10.672 11.463 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.624 8.929 11.365 1.00 0.00 H new ATOM 755 N ALA A 51 5.479 13.180 10.431 1.00 0.00 N ATOM 756 CA ALA A 51 4.806 14.441 10.642 1.00 0.00 C ATOM 757 C ALA A 51 3.531 14.205 11.416 1.00 0.00 C ATOM 758 O ALA A 51 3.107 13.055 11.575 1.00 0.00 O ATOM 759 CB ALA A 51 4.537 15.135 9.325 1.00 0.00 C ATOM 0 H ALA A 51 4.856 12.377 10.345 1.00 0.00 H new ATOM 0 HA ALA A 51 5.449 15.100 11.225 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.030 16.082 9.510 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.481 15.323 8.813 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.906 14.501 8.702 1.00 0.00 H new ATOM 765 N THR A 52 2.910 15.249 11.872 1.00 0.00 N ATOM 766 CA THR A 52 1.769 15.107 12.743 1.00 0.00 C ATOM 767 C THR A 52 0.472 15.556 12.051 1.00 0.00 C ATOM 768 O THR A 52 0.490 16.408 11.162 1.00 0.00 O ATOM 769 CB THR A 52 2.003 15.954 14.012 1.00 0.00 C ATOM 770 OG1 THR A 52 3.342 15.718 14.479 1.00 0.00 O ATOM 771 CG2 THR A 52 1.026 15.584 15.115 1.00 0.00 C ATOM 0 H THR A 52 3.169 16.212 11.659 1.00 0.00 H new ATOM 0 HA THR A 52 1.658 14.054 13.003 1.00 0.00 H new ATOM 0 HB THR A 52 1.853 17.004 13.761 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.506 16.251 15.285 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.219 16.200 15.994 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.006 15.754 14.770 1.00 0.00 H new ATOM 0 HG23 THR A 52 1.151 14.533 15.374 1.00 0.00 H new ATOM 779 N PHE A 53 -0.620 14.940 12.424 1.00 0.00 N ATOM 780 CA PHE A 53 -1.928 15.313 11.970 1.00 0.00 C ATOM 781 C PHE A 53 -2.838 15.437 13.171 1.00 0.00 C ATOM 782 O PHE A 53 -2.854 14.562 14.040 1.00 0.00 O ATOM 783 CB PHE A 53 -2.500 14.285 10.979 1.00 0.00 C ATOM 784 CG PHE A 53 -3.918 14.580 10.549 1.00 0.00 C ATOM 785 CD1 PHE A 53 -4.187 15.605 9.662 1.00 0.00 C ATOM 786 CD2 PHE A 53 -4.981 13.839 11.051 1.00 0.00 C ATOM 787 CE1 PHE A 53 -5.483 15.888 9.279 1.00 0.00 C ATOM 788 CE2 PHE A 53 -6.279 14.119 10.673 1.00 0.00 C ATOM 789 CZ PHE A 53 -6.531 15.143 9.786 1.00 0.00 C ATOM 0 H PHE A 53 -0.621 14.148 13.066 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.859 16.266 11.445 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.862 14.250 10.096 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.466 13.296 11.435 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.373 16.192 9.263 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.789 13.034 11.745 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.678 16.691 8.584 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -7.096 13.536 11.072 1.00 0.00 H new ATOM 0 HZ PHE A 53 -7.545 15.363 9.488 1.00 0.00 H new ATOM 799 N VAL A 54 -3.550 16.515 13.237 1.00 0.00 N ATOM 800 CA VAL A 54 -4.496 16.753 14.290 1.00 0.00 C ATOM 801 C VAL A 54 -5.858 16.856 13.643 1.00 0.00 C ATOM 802 O VAL A 54 -6.074 17.730 12.811 1.00 0.00 O ATOM 803 CB VAL A 54 -4.194 18.080 15.042 1.00 0.00 C ATOM 804 CG1 VAL A 54 -5.119 18.250 16.243 1.00 0.00 C ATOM 805 CG2 VAL A 54 -2.737 18.145 15.474 1.00 0.00 C ATOM 0 H VAL A 54 -3.493 17.269 12.553 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.445 15.943 15.017 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.379 18.902 14.351 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.887 19.186 16.751 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.155 18.268 15.905 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.977 17.418 16.932 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.554 19.083 15.997 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.517 17.310 16.139 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.094 18.088 14.596 1.00 0.00 H new ATOM 815 N ASN A 55 -6.750 15.958 13.976 1.00 0.00 N ATOM 816 CA ASN A 55 -8.082 15.972 13.383 1.00 0.00 C ATOM 817 C ASN A 55 -8.866 17.177 13.903 1.00 0.00 C ATOM 818 O ASN A 55 -8.780 17.516 15.093 1.00 0.00 O ATOM 819 CB ASN A 55 -8.829 14.657 13.650 1.00 0.00 C ATOM 820 CG ASN A 55 -10.174 14.615 12.949 1.00 0.00 C ATOM 821 OD1 ASN A 55 -10.365 15.244 11.929 1.00 0.00 O ATOM 822 ND2 ASN A 55 -11.091 13.856 13.466 1.00 0.00 N ATOM 0 H ASN A 55 -6.589 15.209 14.649 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.981 16.063 12.302 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -8.219 13.819 13.314 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -8.975 14.535 14.723 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -12.002 13.776 13.014 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -10.901 13.339 14.325 1.00 0.00 H new ATOM 829 N GLY A 56 -9.619 17.809 13.042 1.00 0.00 N ATOM 830 CA GLY A 56 -10.263 19.034 13.408 1.00 0.00 C ATOM 831 C GLY A 56 -11.730 18.906 13.720 1.00 0.00 C ATOM 832 O GLY A 56 -12.124 18.935 14.889 1.00 0.00 O ATOM 0 H GLY A 56 -9.798 17.495 12.088 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.755 19.449 14.279 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.140 19.750 12.596 1.00 0.00 H new ATOM 836 N ASN A 57 -12.533 18.732 12.700 1.00 0.00 N ATOM 837 CA ASN A 57 -13.983 18.802 12.858 1.00 0.00 C ATOM 838 C ASN A 57 -14.689 17.481 13.147 1.00 0.00 C ATOM 839 O ASN A 57 -15.212 17.285 14.246 1.00 0.00 O ATOM 840 CB ASN A 57 -14.670 19.578 11.702 1.00 0.00 C ATOM 841 CG ASN A 57 -14.246 19.146 10.295 1.00 0.00 C ATOM 842 OD1 ASN A 57 -13.871 18.004 10.050 1.00 0.00 O ATOM 843 ND2 ASN A 57 -14.315 20.057 9.369 1.00 0.00 N ATOM 0 H ASN A 57 -12.218 18.541 11.749 1.00 0.00 H new ATOM 0 HA ASN A 57 -14.104 19.376 13.777 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -15.749 19.457 11.794 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -14.457 20.640 11.820 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -14.054 19.830 8.410 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -14.631 20.998 9.602 1.00 0.00 H new ATOM 850 N GLN A 58 -14.734 16.599 12.204 1.00 0.00 N ATOM 851 CA GLN A 58 -15.495 15.392 12.373 1.00 0.00 C ATOM 852 C GLN A 58 -14.587 14.189 12.526 1.00 0.00 C ATOM 853 O GLN A 58 -13.456 14.207 12.056 1.00 0.00 O ATOM 854 CB GLN A 58 -16.450 15.181 11.180 1.00 0.00 C ATOM 855 CG GLN A 58 -15.760 14.914 9.839 1.00 0.00 C ATOM 856 CD GLN A 58 -16.750 14.665 8.723 1.00 0.00 C ATOM 857 OE1 GLN A 58 -17.850 15.206 8.719 1.00 0.00 O ATOM 858 NE2 GLN A 58 -16.384 13.851 7.772 1.00 0.00 N ATOM 0 H GLN A 58 -14.256 16.685 11.307 1.00 0.00 H new ATOM 0 HA GLN A 58 -16.083 15.497 13.285 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -17.110 14.343 11.406 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -17.080 16.064 11.078 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -15.131 15.766 9.580 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -15.102 14.051 9.937 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -15.462 13.415 7.801 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -17.019 13.651 7.000 1.00 0.00 H new ATOM 867 N PRO A 59 -15.043 13.147 13.243 1.00 0.00 N ATOM 868 CA PRO A 59 -14.342 11.878 13.293 1.00 0.00 C ATOM 869 C PRO A 59 -14.178 11.334 11.881 1.00 0.00 C ATOM 870 O PRO A 59 -15.145 11.300 11.092 1.00 0.00 O ATOM 871 CB PRO A 59 -15.274 10.972 14.094 1.00 0.00 C ATOM 872 CG PRO A 59 -16.081 11.901 14.916 1.00 0.00 C ATOM 873 CD PRO A 59 -16.240 13.144 14.094 1.00 0.00 C ATOM 0 HA PRO A 59 -13.348 11.955 13.734 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -15.905 10.373 13.438 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -14.712 10.277 14.718 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -17.051 11.466 15.158 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -15.584 12.119 15.861 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -17.154 13.119 13.501 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -16.290 14.035 14.719 1.00 0.00 H new ATOM 881 N ILE A 60 -12.997 10.940 11.559 1.00 0.00 N ATOM 882 CA ILE A 60 -12.689 10.476 10.242 1.00 0.00 C ATOM 883 C ILE A 60 -12.492 8.980 10.293 1.00 0.00 C ATOM 884 O ILE A 60 -11.635 8.499 11.025 1.00 0.00 O ATOM 885 CB ILE A 60 -11.374 11.130 9.711 1.00 0.00 C ATOM 886 CG1 ILE A 60 -11.464 12.661 9.746 1.00 0.00 C ATOM 887 CG2 ILE A 60 -11.077 10.658 8.297 1.00 0.00 C ATOM 888 CD1 ILE A 60 -10.193 13.358 9.284 1.00 0.00 C ATOM 0 H ILE A 60 -12.207 10.928 12.204 1.00 0.00 H new ATOM 0 HA ILE A 60 -13.509 10.744 9.576 1.00 0.00 H new ATOM 0 HB ILE A 60 -10.560 10.820 10.366 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -12.294 12.982 9.116 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -11.694 12.980 10.763 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -10.157 11.124 7.944 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -10.960 9.574 8.292 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -11.901 10.937 7.640 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -10.331 14.438 9.336 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -9.364 13.067 9.928 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -9.973 13.069 8.256 1.00 0.00 H new ATOM 900 N VAL A 61 -13.301 8.239 9.580 1.00 0.00 N ATOM 901 CA VAL A 61 -13.090 6.819 9.514 1.00 0.00 C ATOM 902 C VAL A 61 -11.898 6.533 8.621 1.00 0.00 C ATOM 903 O VAL A 61 -11.665 7.228 7.613 1.00 0.00 O ATOM 904 CB VAL A 61 -14.333 6.006 9.064 1.00 0.00 C ATOM 905 CG1 VAL A 61 -15.483 6.183 10.046 1.00 0.00 C ATOM 906 CG2 VAL A 61 -14.749 6.362 7.651 1.00 0.00 C ATOM 0 H VAL A 61 -14.097 8.588 9.047 1.00 0.00 H new ATOM 0 HA VAL A 61 -12.892 6.482 10.532 1.00 0.00 H new ATOM 0 HB VAL A 61 -14.057 4.951 9.061 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -16.342 5.603 9.708 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -15.176 5.836 11.032 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -15.755 7.237 10.101 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -15.622 5.773 7.370 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -14.995 7.423 7.600 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -13.930 6.146 6.965 1.00 0.00 H new ATOM 916 N THR A 62 -11.156 5.562 8.992 1.00 0.00 N ATOM 917 CA THR A 62 -9.935 5.248 8.344 1.00 0.00 C ATOM 918 C THR A 62 -10.001 3.841 7.750 1.00 0.00 C ATOM 919 O THR A 62 -10.996 3.120 7.936 1.00 0.00 O ATOM 920 CB THR A 62 -8.765 5.378 9.355 1.00 0.00 C ATOM 921 OG1 THR A 62 -9.001 4.541 10.488 1.00 0.00 O ATOM 922 CG2 THR A 62 -8.634 6.807 9.854 1.00 0.00 C ATOM 0 H THR A 62 -11.382 4.946 9.773 1.00 0.00 H new ATOM 0 HA THR A 62 -9.764 5.947 7.525 1.00 0.00 H new ATOM 0 HB THR A 62 -7.852 5.081 8.839 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.345 4.745 11.187 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.807 6.871 10.561 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.443 7.471 9.011 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.558 7.106 10.349 1.00 0.00 H new ATOM 930 N ARG A 63 -8.991 3.468 7.012 1.00 0.00 N ATOM 931 CA ARG A 63 -8.916 2.158 6.404 1.00 0.00 C ATOM 932 C ARG A 63 -7.738 1.419 6.988 1.00 0.00 C ATOM 933 O ARG A 63 -6.737 2.038 7.348 1.00 0.00 O ATOM 934 CB ARG A 63 -8.737 2.278 4.899 1.00 0.00 C ATOM 935 CG ARG A 63 -9.849 3.006 4.146 1.00 0.00 C ATOM 936 CD ARG A 63 -11.189 2.277 4.145 1.00 0.00 C ATOM 937 NE ARG A 63 -11.920 2.359 5.412 1.00 0.00 N ATOM 938 CZ ARG A 63 -13.232 2.142 5.530 1.00 0.00 C ATOM 939 NH1 ARG A 63 -13.953 1.782 4.461 1.00 0.00 N ATOM 940 NH2 ARG A 63 -13.822 2.265 6.717 1.00 0.00 N ATOM 0 H ARG A 63 -8.189 4.065 6.811 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.841 1.617 6.603 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.797 2.794 4.705 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -8.641 1.275 4.484 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.986 3.993 4.589 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.532 3.161 3.115 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.813 2.689 3.352 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -11.018 1.228 3.904 1.00 0.00 H new ATOM 0 HE ARG A 63 -11.395 2.596 6.254 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -13.500 1.673 3.554 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -14.955 1.617 4.554 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -13.272 2.525 7.536 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -14.824 2.099 6.808 1.00 0.00 H new ATOM 954 N ILE A 64 -7.840 0.129 7.081 1.00 0.00 N ATOM 955 CA ILE A 64 -6.794 -0.660 7.677 1.00 0.00 C ATOM 956 C ILE A 64 -6.101 -1.546 6.627 1.00 0.00 C ATOM 957 O ILE A 64 -6.756 -2.166 5.809 1.00 0.00 O ATOM 958 CB ILE A 64 -7.365 -1.550 8.828 1.00 0.00 C ATOM 959 CG1 ILE A 64 -8.060 -0.674 9.892 1.00 0.00 C ATOM 960 CG2 ILE A 64 -6.262 -2.388 9.466 1.00 0.00 C ATOM 961 CD1 ILE A 64 -8.713 -1.460 11.017 1.00 0.00 C ATOM 0 H ILE A 64 -8.642 -0.408 6.750 1.00 0.00 H new ATOM 0 HA ILE A 64 -6.056 0.027 8.091 1.00 0.00 H new ATOM 0 HB ILE A 64 -8.102 -2.229 8.399 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.326 0.009 10.320 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -8.818 -0.062 9.404 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -6.684 -2.999 10.264 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -5.815 -3.035 8.712 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -5.498 -1.730 9.879 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -9.178 -0.770 11.721 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -9.473 -2.124 10.604 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -7.957 -2.051 11.534 1.00 0.00 H new ATOM 973 N GLY A 65 -4.783 -1.515 6.619 1.00 0.00 N ATOM 974 CA GLY A 65 -3.976 -2.430 5.817 1.00 0.00 C ATOM 975 C GLY A 65 -3.721 -1.999 4.391 1.00 0.00 C ATOM 976 O GLY A 65 -2.753 -2.439 3.773 1.00 0.00 O ATOM 0 H GLY A 65 -4.234 -0.854 7.169 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.015 -2.568 6.313 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.469 -3.402 5.801 1.00 0.00 H new ATOM 980 N SER A 66 -4.558 -1.164 3.859 1.00 0.00 N ATOM 981 CA SER A 66 -4.398 -0.687 2.507 1.00 0.00 C ATOM 982 C SER A 66 -5.140 0.618 2.348 1.00 0.00 C ATOM 983 O SER A 66 -6.196 0.800 2.957 1.00 0.00 O ATOM 984 CB SER A 66 -4.977 -1.708 1.504 1.00 0.00 C ATOM 985 OG SER A 66 -4.346 -2.976 1.600 1.00 0.00 O ATOM 0 H SER A 66 -5.374 -0.790 4.344 1.00 0.00 H new ATOM 0 HA SER A 66 -3.335 -0.548 2.309 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.046 -1.823 1.682 1.00 0.00 H new ATOM 0 HB3 SER A 66 -4.862 -1.323 0.491 1.00 0.00 H new ATOM 0 HG SER A 66 -3.968 -3.220 0.729 1.00 0.00 H new ATOM 991 N PRO A 67 -4.600 1.571 1.595 1.00 0.00 N ATOM 992 CA PRO A 67 -5.338 2.754 1.283 1.00 0.00 C ATOM 993 C PRO A 67 -6.148 2.546 -0.004 1.00 0.00 C ATOM 994 O PRO A 67 -5.600 2.307 -1.075 1.00 0.00 O ATOM 995 CB PRO A 67 -4.243 3.802 1.086 1.00 0.00 C ATOM 996 CG PRO A 67 -3.034 3.033 0.639 1.00 0.00 C ATOM 997 CD PRO A 67 -3.234 1.593 1.046 1.00 0.00 C ATOM 0 HA PRO A 67 -6.059 3.038 2.049 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -4.536 4.542 0.341 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -4.045 4.343 2.011 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -2.907 3.112 -0.441 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -2.131 3.439 1.096 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.134 0.919 0.195 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -2.499 1.281 1.788 1.00 0.00 H new ATOM 1005 N PHE A 68 -7.435 2.647 0.148 1.00 0.00 N ATOM 1006 CA PHE A 68 -8.473 2.501 -0.865 1.00 0.00 C ATOM 1007 C PHE A 68 -9.718 2.967 -0.167 1.00 0.00 C ATOM 1008 O PHE A 68 -9.658 3.258 1.022 1.00 0.00 O ATOM 1009 CB PHE A 68 -8.726 1.024 -1.324 1.00 0.00 C ATOM 1010 CG PHE A 68 -7.629 0.323 -2.084 1.00 0.00 C ATOM 1011 CD1 PHE A 68 -7.433 0.577 -3.433 1.00 0.00 C ATOM 1012 CD2 PHE A 68 -6.811 -0.601 -1.457 1.00 0.00 C ATOM 1013 CE1 PHE A 68 -6.438 -0.075 -4.138 1.00 0.00 C ATOM 1014 CE2 PHE A 68 -5.817 -1.255 -2.157 1.00 0.00 C ATOM 1015 CZ PHE A 68 -5.631 -0.991 -3.498 1.00 0.00 C ATOM 0 H PHE A 68 -7.836 2.852 1.063 1.00 0.00 H new ATOM 0 HA PHE A 68 -8.185 3.051 -1.761 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -8.949 0.432 -0.437 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -9.621 1.016 -1.946 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -8.065 1.292 -3.939 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.952 -0.813 -0.407 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.294 0.133 -5.188 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.185 -1.973 -1.655 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.853 -1.502 -4.046 1.00 0.00 H new ATOM 1025 N LEU A 69 -10.822 3.010 -0.840 1.00 0.00 N ATOM 1026 CA LEU A 69 -12.074 3.361 -0.186 1.00 0.00 C ATOM 1027 C LEU A 69 -12.760 2.096 0.331 1.00 0.00 C ATOM 1028 O LEU A 69 -13.304 2.066 1.439 1.00 0.00 O ATOM 1029 CB LEU A 69 -13.011 4.158 -1.120 1.00 0.00 C ATOM 1030 CG LEU A 69 -12.538 5.563 -1.570 1.00 0.00 C ATOM 1031 CD1 LEU A 69 -12.157 6.428 -0.379 1.00 0.00 C ATOM 1032 CD2 LEU A 69 -11.405 5.502 -2.597 1.00 0.00 C ATOM 0 H LEU A 69 -10.899 2.810 -1.837 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.844 4.012 0.658 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -13.186 3.559 -2.014 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.972 4.270 -0.618 1.00 0.00 H new ATOM 0 HG LEU A 69 -13.387 6.031 -2.069 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.830 7.407 -0.730 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.021 6.547 0.275 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.347 5.951 0.173 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -11.113 6.514 -2.877 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.549 4.984 -2.164 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.745 4.964 -3.482 1.00 0.00 H new ATOM 1044 N ASN A 70 -12.649 1.042 -0.461 1.00 0.00 N ATOM 1045 CA ASN A 70 -13.258 -0.272 -0.189 1.00 0.00 C ATOM 1046 C ASN A 70 -12.395 -1.089 0.788 1.00 0.00 C ATOM 1047 O ASN A 70 -12.765 -2.187 1.212 1.00 0.00 O ATOM 1048 CB ASN A 70 -13.444 -1.016 -1.540 1.00 0.00 C ATOM 1049 CG ASN A 70 -14.028 -2.422 -1.435 1.00 0.00 C ATOM 1050 OD1 ASN A 70 -15.244 -2.602 -1.420 1.00 0.00 O ATOM 1051 ND2 ASN A 70 -13.179 -3.418 -1.431 1.00 0.00 N ATOM 0 H ASN A 70 -12.123 1.066 -1.334 1.00 0.00 H new ATOM 0 HA ASN A 70 -14.229 -0.138 0.287 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -14.093 -0.418 -2.179 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -12.476 -1.079 -2.038 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -13.520 -4.379 -1.415 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.176 -3.233 -1.444 1.00 0.00 H new ATOM 1058 N ALA A 71 -11.264 -0.515 1.169 1.00 0.00 N ATOM 1059 CA ALA A 71 -10.304 -1.149 2.081 1.00 0.00 C ATOM 1060 C ALA A 71 -10.957 -1.501 3.438 1.00 0.00 C ATOM 1061 O ALA A 71 -12.013 -0.940 3.780 1.00 0.00 O ATOM 1062 CB ALA A 71 -9.110 -0.231 2.277 1.00 0.00 C ATOM 0 H ALA A 71 -10.977 0.412 0.855 1.00 0.00 H new ATOM 0 HA ALA A 71 -9.968 -2.085 1.635 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.397 -0.701 2.954 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.631 -0.047 1.315 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.444 0.715 2.702 1.00 0.00 H new ATOM 1068 N PRO A 72 -10.350 -2.460 4.200 1.00 0.00 N ATOM 1069 CA PRO A 72 -10.871 -2.929 5.497 1.00 0.00 C ATOM 1070 C PRO A 72 -11.288 -1.813 6.461 1.00 0.00 C ATOM 1071 O PRO A 72 -10.564 -0.819 6.661 1.00 0.00 O ATOM 1072 CB PRO A 72 -9.715 -3.731 6.081 1.00 0.00 C ATOM 1073 CG PRO A 72 -9.005 -4.265 4.892 1.00 0.00 C ATOM 1074 CD PRO A 72 -9.113 -3.203 3.834 1.00 0.00 C ATOM 0 HA PRO A 72 -11.790 -3.497 5.352 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -9.061 -3.104 6.687 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -10.073 -4.534 6.725 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -7.962 -4.480 5.124 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -9.455 -5.199 4.555 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -8.240 -2.550 3.832 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -9.188 -3.638 2.837 1.00 0.00 H new ATOM 1082 N VAL A 73 -12.446 -2.011 7.053 1.00 0.00 N ATOM 1083 CA VAL A 73 -13.053 -1.078 7.981 1.00 0.00 C ATOM 1084 C VAL A 73 -12.620 -1.394 9.415 1.00 0.00 C ATOM 1085 O VAL A 73 -11.946 -2.405 9.660 1.00 0.00 O ATOM 1086 CB VAL A 73 -14.613 -1.128 7.901 1.00 0.00 C ATOM 1087 CG1 VAL A 73 -15.100 -0.818 6.502 1.00 0.00 C ATOM 1088 CG2 VAL A 73 -15.149 -2.474 8.352 1.00 0.00 C ATOM 0 H VAL A 73 -13.008 -2.848 6.899 1.00 0.00 H new ATOM 0 HA VAL A 73 -12.717 -0.079 7.703 1.00 0.00 H new ATOM 0 HB VAL A 73 -14.993 -0.363 8.578 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -16.189 -0.860 6.478 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -14.769 0.180 6.214 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -14.693 -1.550 5.804 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -16.237 -2.474 8.284 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -14.745 -3.259 7.713 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -14.850 -2.657 9.384 1.00 0.00 H new ATOM 1098 N GLY A 74 -12.995 -0.542 10.342 1.00 0.00 N ATOM 1099 CA GLY A 74 -12.687 -0.780 11.737 1.00 0.00 C ATOM 1100 C GLY A 74 -11.812 0.294 12.335 1.00 0.00 C ATOM 1101 O GLY A 74 -11.370 0.180 13.486 1.00 0.00 O ATOM 0 H GLY A 74 -13.511 0.318 10.159 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -13.616 -0.843 12.304 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -12.188 -1.744 11.835 1.00 0.00 H new ATOM 1105 N GLY A 75 -11.562 1.330 11.578 1.00 0.00 N ATOM 1106 CA GLY A 75 -10.751 2.407 12.061 1.00 0.00 C ATOM 1107 C GLY A 75 -11.511 3.712 12.098 1.00 0.00 C ATOM 1108 O GLY A 75 -12.144 4.098 11.107 1.00 0.00 O ATOM 0 H GLY A 75 -11.910 1.447 10.626 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -10.390 2.169 13.061 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.874 2.516 11.423 1.00 0.00 H new ATOM 1112 N ASN A 76 -11.531 4.341 13.243 1.00 0.00 N ATOM 1113 CA ASN A 76 -12.128 5.656 13.405 1.00 0.00 C ATOM 1114 C ASN A 76 -11.142 6.593 14.079 1.00 0.00 C ATOM 1115 O ASN A 76 -10.459 6.199 15.027 1.00 0.00 O ATOM 1116 CB ASN A 76 -13.449 5.574 14.202 1.00 0.00 C ATOM 1117 CG ASN A 76 -14.046 6.941 14.542 1.00 0.00 C ATOM 1118 OD1 ASN A 76 -14.793 7.528 13.753 1.00 0.00 O ATOM 1119 ND2 ASN A 76 -13.754 7.433 15.727 1.00 0.00 N ATOM 0 H ASN A 76 -11.133 3.959 14.101 1.00 0.00 H new ATOM 0 HA ASN A 76 -12.367 6.052 12.418 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -14.176 5.003 13.625 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -13.272 5.024 15.126 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -14.149 8.327 16.019 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -13.133 6.920 16.353 1.00 0.00 H new ATOM 1126 N LEU A 77 -11.023 7.789 13.575 1.00 0.00 N ATOM 1127 CA LEU A 77 -10.175 8.798 14.167 1.00 0.00 C ATOM 1128 C LEU A 77 -11.060 9.908 14.744 1.00 0.00 C ATOM 1129 O LEU A 77 -11.695 10.636 13.987 1.00 0.00 O ATOM 1130 CB LEU A 77 -9.229 9.377 13.104 1.00 0.00 C ATOM 1131 CG LEU A 77 -8.217 10.413 13.588 1.00 0.00 C ATOM 1132 CD1 LEU A 77 -7.246 9.790 14.569 1.00 0.00 C ATOM 1133 CD2 LEU A 77 -7.474 11.026 12.417 1.00 0.00 C ATOM 0 H LEU A 77 -11.513 8.098 12.736 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.574 8.356 14.962 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.682 8.552 12.648 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.834 9.831 12.319 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.760 11.208 14.100 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.533 10.543 14.903 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.794 9.404 15.428 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.711 8.974 14.083 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.758 11.761 12.785 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.944 10.244 11.873 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.185 11.514 11.750 1.00 0.00 H new ATOM 1145 N PRO A 78 -11.136 10.042 16.081 1.00 0.00 N ATOM 1146 CA PRO A 78 -11.991 11.045 16.731 1.00 0.00 C ATOM 1147 C PRO A 78 -11.521 12.489 16.480 1.00 0.00 C ATOM 1148 O PRO A 78 -10.396 12.728 16.012 1.00 0.00 O ATOM 1149 CB PRO A 78 -11.903 10.699 18.223 1.00 0.00 C ATOM 1150 CG PRO A 78 -10.646 9.916 18.377 1.00 0.00 C ATOM 1151 CD PRO A 78 -10.395 9.228 17.061 1.00 0.00 C ATOM 0 HA PRO A 78 -13.006 11.013 16.336 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -11.881 11.601 18.834 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -12.768 10.119 18.543 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -9.813 10.570 18.636 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -10.741 9.187 19.182 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -9.331 9.193 16.826 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -10.752 8.198 17.075 1.00 0.00 H new ATOM 1159 N ALA A 79 -12.377 13.443 16.783 1.00 0.00 N ATOM 1160 CA ALA A 79 -12.071 14.847 16.569 1.00 0.00 C ATOM 1161 C ALA A 79 -11.105 15.343 17.633 1.00 0.00 C ATOM 1162 O ALA A 79 -11.257 15.024 18.816 1.00 0.00 O ATOM 1163 CB ALA A 79 -13.343 15.676 16.570 1.00 0.00 C ATOM 0 H ALA A 79 -13.300 13.271 17.182 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.596 14.955 15.594 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -13.094 16.725 16.408 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -14.002 15.332 15.773 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -13.848 15.567 17.530 1.00 0.00 H new ATOM 1169 N GLY A 80 -10.096 16.076 17.209 1.00 0.00 N ATOM 1170 CA GLY A 80 -9.108 16.593 18.127 1.00 0.00 C ATOM 1171 C GLY A 80 -7.921 15.666 18.275 1.00 0.00 C ATOM 1172 O GLY A 80 -6.898 16.045 18.842 1.00 0.00 O ATOM 0 H GLY A 80 -9.940 16.326 16.232 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.765 17.567 17.777 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.568 16.749 19.103 1.00 0.00 H new ATOM 1176 N ALA A 81 -8.049 14.459 17.747 1.00 0.00 N ATOM 1177 CA ALA A 81 -7.012 13.446 17.876 1.00 0.00 C ATOM 1178 C ALA A 81 -5.742 13.840 17.144 1.00 0.00 C ATOM 1179 O ALA A 81 -5.781 14.239 15.972 1.00 0.00 O ATOM 1180 CB ALA A 81 -7.510 12.100 17.395 1.00 0.00 C ATOM 0 H ALA A 81 -8.868 14.155 17.221 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.768 13.367 18.935 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.717 11.360 17.501 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.372 11.797 17.990 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.800 12.173 16.347 1.00 0.00 H new ATOM 1186 N THR A 82 -4.648 13.756 17.844 1.00 0.00 N ATOM 1187 CA THR A 82 -3.354 14.074 17.329 1.00 0.00 C ATOM 1188 C THR A 82 -2.585 12.775 17.067 1.00 0.00 C ATOM 1189 O THR A 82 -2.330 11.998 17.987 1.00 0.00 O ATOM 1190 CB THR A 82 -2.617 14.938 18.358 1.00 0.00 C ATOM 1191 OG1 THR A 82 -3.430 16.084 18.658 1.00 0.00 O ATOM 1192 CG2 THR A 82 -1.268 15.392 17.835 1.00 0.00 C ATOM 0 H THR A 82 -4.635 13.455 18.818 1.00 0.00 H new ATOM 0 HA THR A 82 -3.438 14.625 16.392 1.00 0.00 H new ATOM 0 HB THR A 82 -2.442 14.345 19.256 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.972 16.646 19.317 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.772 16.003 18.590 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.653 14.521 17.611 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.408 15.980 16.928 1.00 0.00 H new ATOM 1200 N ILE A 83 -2.257 12.538 15.826 1.00 0.00 N ATOM 1201 CA ILE A 83 -1.584 11.321 15.415 1.00 0.00 C ATOM 1202 C ILE A 83 -0.317 11.675 14.648 1.00 0.00 C ATOM 1203 O ILE A 83 -0.305 12.641 13.884 1.00 0.00 O ATOM 1204 CB ILE A 83 -2.522 10.460 14.497 1.00 0.00 C ATOM 1205 CG1 ILE A 83 -3.794 10.017 15.245 1.00 0.00 C ATOM 1206 CG2 ILE A 83 -1.802 9.251 13.907 1.00 0.00 C ATOM 1207 CD1 ILE A 83 -3.548 9.115 16.443 1.00 0.00 C ATOM 0 H ILE A 83 -2.448 13.185 15.061 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.330 10.743 16.304 1.00 0.00 H new ATOM 0 HB ILE A 83 -2.817 11.104 13.669 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.329 10.905 15.581 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.448 9.497 14.545 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.492 8.687 13.280 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.958 9.588 13.306 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.441 8.613 14.714 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.501 8.856 16.905 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.044 8.206 16.116 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.923 9.636 17.168 1.00 0.00 H new ATOM 1219 N VAL A 84 0.739 10.936 14.874 1.00 0.00 N ATOM 1220 CA VAL A 84 1.953 11.122 14.133 1.00 0.00 C ATOM 1221 C VAL A 84 2.053 10.028 13.062 1.00 0.00 C ATOM 1222 O VAL A 84 2.043 8.817 13.357 1.00 0.00 O ATOM 1223 CB VAL A 84 3.233 11.175 15.048 1.00 0.00 C ATOM 1224 CG1 VAL A 84 3.402 9.916 15.889 1.00 0.00 C ATOM 1225 CG2 VAL A 84 4.491 11.446 14.225 1.00 0.00 C ATOM 0 H VAL A 84 0.779 10.194 15.573 1.00 0.00 H new ATOM 0 HA VAL A 84 1.915 12.099 13.650 1.00 0.00 H new ATOM 0 HB VAL A 84 3.085 12.005 15.739 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.300 10.005 16.501 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.533 9.791 16.535 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.494 9.050 15.233 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.358 11.477 14.885 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.623 10.652 13.490 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.391 12.403 13.712 1.00 0.00 H new ATOM 1235 N TYR A 85 2.093 10.439 11.835 1.00 0.00 N ATOM 1236 CA TYR A 85 2.160 9.509 10.750 1.00 0.00 C ATOM 1237 C TYR A 85 3.584 9.348 10.301 1.00 0.00 C ATOM 1238 O TYR A 85 4.387 10.284 10.416 1.00 0.00 O ATOM 1239 CB TYR A 85 1.218 9.897 9.589 1.00 0.00 C ATOM 1240 CG TYR A 85 1.368 11.314 9.044 1.00 0.00 C ATOM 1241 CD1 TYR A 85 2.262 11.602 8.023 1.00 0.00 C ATOM 1242 CD2 TYR A 85 0.585 12.353 9.535 1.00 0.00 C ATOM 1243 CE1 TYR A 85 2.370 12.883 7.511 1.00 0.00 C ATOM 1244 CE2 TYR A 85 0.693 13.634 9.027 1.00 0.00 C ATOM 1245 CZ TYR A 85 1.583 13.893 8.018 1.00 0.00 C ATOM 1246 OH TYR A 85 1.692 15.177 7.507 1.00 0.00 O ATOM 0 H TYR A 85 2.080 11.420 11.556 1.00 0.00 H new ATOM 0 HA TYR A 85 1.805 8.542 11.106 1.00 0.00 H new ATOM 0 HB2 TYR A 85 1.378 9.196 8.770 1.00 0.00 H new ATOM 0 HB3 TYR A 85 0.189 9.766 9.924 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.883 10.815 7.622 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -0.121 12.155 10.328 1.00 0.00 H new ATOM 0 HE1 TYR A 85 3.070 13.090 6.715 1.00 0.00 H new ATOM 0 HE2 TYR A 85 0.078 14.428 9.424 1.00 0.00 H new ATOM 0 HH TYR A 85 1.957 15.133 6.564 1.00 0.00 H new ATOM 1256 N ASP A 86 3.908 8.172 9.831 1.00 0.00 N ATOM 1257 CA ASP A 86 5.266 7.875 9.402 1.00 0.00 C ATOM 1258 C ASP A 86 5.275 7.450 7.946 1.00 0.00 C ATOM 1259 O ASP A 86 6.302 7.026 7.401 1.00 0.00 O ATOM 1260 CB ASP A 86 5.931 6.797 10.302 1.00 0.00 C ATOM 1261 CG ASP A 86 5.322 5.408 10.195 1.00 0.00 C ATOM 1262 OD1 ASP A 86 4.378 5.075 10.963 1.00 0.00 O ATOM 1263 OD2 ASP A 86 5.788 4.609 9.379 1.00 0.00 O ATOM 0 H ASP A 86 3.253 7.396 9.732 1.00 0.00 H new ATOM 0 HA ASP A 86 5.857 8.785 9.503 1.00 0.00 H new ATOM 0 HB2 ASP A 86 6.989 6.734 10.047 1.00 0.00 H new ATOM 0 HB3 ASP A 86 5.872 7.125 11.340 1.00 0.00 H new ATOM 1268 N GLU A 87 4.148 7.616 7.302 1.00 0.00 N ATOM 1269 CA GLU A 87 3.990 7.222 5.939 1.00 0.00 C ATOM 1270 C GLU A 87 2.929 8.094 5.300 1.00 0.00 C ATOM 1271 O GLU A 87 1.871 8.315 5.882 1.00 0.00 O ATOM 1272 CB GLU A 87 3.599 5.750 5.911 1.00 0.00 C ATOM 1273 CG GLU A 87 3.610 5.082 4.556 1.00 0.00 C ATOM 1274 CD GLU A 87 3.546 3.581 4.705 1.00 0.00 C ATOM 1275 OE1 GLU A 87 4.550 2.984 5.174 1.00 0.00 O ATOM 1276 OE2 GLU A 87 2.502 2.975 4.438 1.00 0.00 O ATOM 0 H GLU A 87 3.314 8.031 7.717 1.00 0.00 H new ATOM 0 HA GLU A 87 4.915 7.347 5.377 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.276 5.203 6.568 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.598 5.653 6.332 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.763 5.431 3.965 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.513 5.361 4.014 1.00 0.00 H new ATOM 1283 N VAL A 88 3.241 8.644 4.169 1.00 0.00 N ATOM 1284 CA VAL A 88 2.313 9.468 3.423 1.00 0.00 C ATOM 1285 C VAL A 88 2.100 8.791 2.092 1.00 0.00 C ATOM 1286 O VAL A 88 3.070 8.488 1.420 1.00 0.00 O ATOM 1287 CB VAL A 88 2.895 10.888 3.168 1.00 0.00 C ATOM 1288 CG1 VAL A 88 1.868 11.794 2.514 1.00 0.00 C ATOM 1289 CG2 VAL A 88 3.420 11.511 4.449 1.00 0.00 C ATOM 0 H VAL A 88 4.153 8.539 3.724 1.00 0.00 H new ATOM 0 HA VAL A 88 1.386 9.579 3.986 1.00 0.00 H new ATOM 0 HB VAL A 88 3.734 10.775 2.481 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.305 12.779 2.349 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.562 11.367 1.559 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.998 11.887 3.164 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.819 12.502 4.234 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.608 11.595 5.172 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.210 10.883 4.862 1.00 0.00 H new ATOM 1299 N CYS A 89 0.877 8.539 1.715 1.00 0.00 N ATOM 1300 CA CYS A 89 0.620 7.842 0.479 1.00 0.00 C ATOM 1301 C CYS A 89 -0.505 8.478 -0.327 1.00 0.00 C ATOM 1302 O CYS A 89 -1.469 8.983 0.229 1.00 0.00 O ATOM 1303 CB CYS A 89 0.324 6.370 0.761 1.00 0.00 C ATOM 1304 SG CYS A 89 -1.043 6.096 1.884 1.00 0.00 S ATOM 0 H CYS A 89 0.044 8.803 2.241 1.00 0.00 H new ATOM 0 HA CYS A 89 1.519 7.917 -0.132 1.00 0.00 H new ATOM 0 HB2 CYS A 89 0.111 5.867 -0.182 1.00 0.00 H new ATOM 0 HB3 CYS A 89 1.218 5.904 1.175 1.00 0.00 H new ATOM 0 HG CYS A 89 -0.815 5.031 2.594 1.00 0.00 H new ATOM 1310 N ILE A 90 -0.366 8.469 -1.629 1.00 0.00 N ATOM 1311 CA ILE A 90 -1.386 8.997 -2.508 1.00 0.00 C ATOM 1312 C ILE A 90 -2.185 7.857 -3.122 1.00 0.00 C ATOM 1313 O ILE A 90 -1.630 6.994 -3.834 1.00 0.00 O ATOM 1314 CB ILE A 90 -0.817 9.916 -3.651 1.00 0.00 C ATOM 1315 CG1 ILE A 90 -0.155 11.177 -3.064 1.00 0.00 C ATOM 1316 CG2 ILE A 90 -1.927 10.310 -4.642 1.00 0.00 C ATOM 1317 CD1 ILE A 90 0.406 12.133 -4.111 1.00 0.00 C ATOM 0 H ILE A 90 0.453 8.098 -2.111 1.00 0.00 H new ATOM 0 HA ILE A 90 -2.028 9.625 -1.889 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.059 9.347 -4.189 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -0.888 11.709 -2.457 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.651 10.873 -2.396 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.509 10.945 -5.423 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.349 9.411 -5.092 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.711 10.853 -4.114 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.854 12.994 -3.615 1.00 0.00 H new ATOM 0 HD12 ILE A 90 1.164 11.620 -4.703 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.399 12.469 -4.765 1.00 0.00 H new ATOM 1329 N GLN A 91 -3.453 7.838 -2.800 1.00 0.00 N ATOM 1330 CA GLN A 91 -4.407 6.926 -3.362 1.00 0.00 C ATOM 1331 C GLN A 91 -5.506 7.791 -3.943 1.00 0.00 C ATOM 1332 O GLN A 91 -6.165 8.519 -3.196 1.00 0.00 O ATOM 1333 CB GLN A 91 -4.951 5.951 -2.291 1.00 0.00 C ATOM 1334 CG GLN A 91 -6.056 5.023 -2.788 1.00 0.00 C ATOM 1335 CD GLN A 91 -5.589 4.175 -3.957 1.00 0.00 C ATOM 1336 OE1 GLN A 91 -5.686 4.588 -5.114 1.00 0.00 O ATOM 1337 NE2 GLN A 91 -5.096 3.006 -3.680 1.00 0.00 N ATOM 0 H GLN A 91 -3.859 8.478 -2.118 1.00 0.00 H new ATOM 0 HA GLN A 91 -3.956 6.295 -4.128 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -4.126 5.346 -1.916 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -5.331 6.530 -1.449 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -6.381 4.375 -1.974 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -6.921 5.614 -3.089 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -5.031 2.697 -2.710 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -4.774 2.397 -4.432 1.00 0.00 H new ATOM 1346 N ALA A 92 -5.748 7.645 -5.239 1.00 0.00 N ATOM 1347 CA ALA A 92 -6.558 8.581 -6.031 1.00 0.00 C ATOM 1348 C ALA A 92 -7.891 8.918 -5.379 1.00 0.00 C ATOM 1349 O ALA A 92 -8.796 8.079 -5.269 1.00 0.00 O ATOM 1350 CB ALA A 92 -6.774 8.022 -7.428 1.00 0.00 C ATOM 0 H ALA A 92 -5.385 6.863 -5.784 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.001 9.516 -6.089 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.375 8.720 -8.010 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.810 7.879 -7.916 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.292 7.065 -7.361 1.00 0.00 H new ATOM 1356 N GLY A 93 -7.964 10.142 -4.888 1.00 0.00 N ATOM 1357 CA GLY A 93 -9.139 10.629 -4.237 1.00 0.00 C ATOM 1358 C GLY A 93 -8.787 11.338 -2.949 1.00 0.00 C ATOM 1359 O GLY A 93 -9.404 12.329 -2.579 1.00 0.00 O ATOM 0 H GLY A 93 -7.202 10.818 -4.936 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.670 11.312 -4.900 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.814 9.799 -4.027 1.00 0.00 H new ATOM 1363 N HIS A 94 -7.754 10.864 -2.275 1.00 0.00 N ATOM 1364 CA HIS A 94 -7.332 11.428 -0.991 1.00 0.00 C ATOM 1365 C HIS A 94 -5.851 11.218 -0.824 1.00 0.00 C ATOM 1366 O HIS A 94 -5.241 10.453 -1.564 1.00 0.00 O ATOM 1367 CB HIS A 94 -8.035 10.727 0.197 1.00 0.00 C ATOM 1368 CG HIS A 94 -9.524 10.814 0.219 1.00 0.00 C ATOM 1369 ND1 HIS A 94 -10.338 9.811 -0.253 1.00 0.00 N ATOM 1370 CD2 HIS A 94 -10.351 11.782 0.676 1.00 0.00 C ATOM 1371 CE1 HIS A 94 -11.596 10.155 -0.085 1.00 0.00 C ATOM 1372 NE2 HIS A 94 -11.631 11.344 0.475 1.00 0.00 N ATOM 0 H HIS A 94 -7.182 10.082 -2.594 1.00 0.00 H new ATOM 0 HA HIS A 94 -7.594 12.486 -0.993 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -7.752 9.674 0.191 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -7.652 11.154 1.124 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -10.056 12.723 1.116 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -12.455 9.561 -0.360 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -12.477 11.858 0.720 1.00 0.00 H new ATOM 1381 N ILE A 95 -5.274 11.889 0.112 1.00 0.00 N ATOM 1382 CA ILE A 95 -3.918 11.613 0.461 1.00 0.00 C ATOM 1383 C ILE A 95 -3.970 10.917 1.806 1.00 0.00 C ATOM 1384 O ILE A 95 -4.505 11.435 2.758 1.00 0.00 O ATOM 1385 CB ILE A 95 -3.001 12.888 0.453 1.00 0.00 C ATOM 1386 CG1 ILE A 95 -1.533 12.504 0.683 1.00 0.00 C ATOM 1387 CG2 ILE A 95 -3.456 13.936 1.465 1.00 0.00 C ATOM 1388 CD1 ILE A 95 -0.567 13.664 0.535 1.00 0.00 C ATOM 0 H ILE A 95 -5.717 12.633 0.651 1.00 0.00 H new ATOM 0 HA ILE A 95 -3.449 10.973 -0.286 1.00 0.00 H new ATOM 0 HB ILE A 95 -3.091 13.341 -0.534 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -1.430 12.082 1.683 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -1.257 11.721 -0.023 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -2.790 14.798 1.421 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -4.473 14.251 1.231 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -3.430 13.509 2.468 1.00 0.00 H new ATOM 0 HD11 ILE A 95 0.450 13.315 0.712 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.640 14.072 -0.473 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -0.816 14.439 1.260 1.00 0.00 H new ATOM 1400 N TRP A 96 -3.497 9.733 1.855 1.00 0.00 N ATOM 1401 CA TRP A 96 -3.672 8.925 3.018 1.00 0.00 C ATOM 1402 C TRP A 96 -2.431 8.919 3.856 1.00 0.00 C ATOM 1403 O TRP A 96 -1.318 8.769 3.340 1.00 0.00 O ATOM 1404 CB TRP A 96 -4.060 7.494 2.623 1.00 0.00 C ATOM 1405 CG TRP A 96 -5.341 7.397 1.841 1.00 0.00 C ATOM 1406 CD1 TRP A 96 -5.530 7.732 0.537 1.00 0.00 C ATOM 1407 CD2 TRP A 96 -6.600 6.917 2.311 1.00 0.00 C ATOM 1408 NE1 TRP A 96 -6.831 7.504 0.174 1.00 0.00 N ATOM 1409 CE2 TRP A 96 -7.505 7.003 1.241 1.00 0.00 C ATOM 1410 CE3 TRP A 96 -7.049 6.428 3.531 1.00 0.00 C ATOM 1411 CZ2 TRP A 96 -8.830 6.621 1.356 1.00 0.00 C ATOM 1412 CZ3 TRP A 96 -8.364 6.047 3.644 1.00 0.00 C ATOM 1413 CH2 TRP A 96 -9.243 6.146 2.562 1.00 0.00 C ATOM 0 H TRP A 96 -2.978 9.288 1.098 1.00 0.00 H new ATOM 0 HA TRP A 96 -4.480 9.353 3.611 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -3.253 7.060 2.032 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -4.153 6.892 3.527 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -4.765 8.122 -0.118 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -7.229 7.682 -0.748 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -6.378 6.349 4.374 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -9.510 6.697 0.520 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -8.725 5.664 4.587 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -10.271 5.839 2.686 1.00 0.00 H new ATOM 1424 N ILE A 97 -2.602 9.092 5.125 1.00 0.00 N ATOM 1425 CA ILE A 97 -1.494 9.025 6.028 1.00 0.00 C ATOM 1426 C ILE A 97 -1.494 7.663 6.682 1.00 0.00 C ATOM 1427 O ILE A 97 -2.546 7.161 7.099 1.00 0.00 O ATOM 1428 CB ILE A 97 -1.503 10.140 7.116 1.00 0.00 C ATOM 1429 CG1 ILE A 97 -2.752 10.042 8.012 1.00 0.00 C ATOM 1430 CG2 ILE A 97 -1.418 11.518 6.456 1.00 0.00 C ATOM 1431 CD1 ILE A 97 -2.713 10.920 9.248 1.00 0.00 C ATOM 0 H ILE A 97 -3.502 9.282 5.565 1.00 0.00 H new ATOM 0 HA ILE A 97 -0.587 9.187 5.446 1.00 0.00 H new ATOM 0 HB ILE A 97 -0.630 9.999 7.754 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -3.629 10.308 7.421 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.880 9.005 8.323 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -1.425 12.291 7.225 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -0.496 11.589 5.879 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -2.272 11.658 5.794 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -3.632 10.786 9.818 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -1.859 10.641 9.865 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -2.620 11.964 8.950 1.00 0.00 H new ATOM 1443 N GLY A 98 -0.353 7.060 6.726 1.00 0.00 N ATOM 1444 CA GLY A 98 -0.223 5.766 7.290 1.00 0.00 C ATOM 1445 C GLY A 98 0.404 5.827 8.644 1.00 0.00 C ATOM 1446 O GLY A 98 1.510 6.373 8.813 1.00 0.00 O ATOM 0 H GLY A 98 0.517 7.456 6.369 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.205 5.298 7.362 1.00 0.00 H new ATOM 0 HA3 GLY A 98 0.382 5.140 6.634 1.00 0.00 H new ATOM 1450 N TYR A 99 -0.293 5.326 9.609 1.00 0.00 N ATOM 1451 CA TYR A 99 0.213 5.262 10.938 1.00 0.00 C ATOM 1452 C TYR A 99 0.123 3.849 11.447 1.00 0.00 C ATOM 1453 O TYR A 99 -0.767 3.080 11.044 1.00 0.00 O ATOM 1454 CB TYR A 99 -0.455 6.288 11.884 1.00 0.00 C ATOM 1455 CG TYR A 99 -1.973 6.224 12.019 1.00 0.00 C ATOM 1456 CD1 TYR A 99 -2.794 6.934 11.151 1.00 0.00 C ATOM 1457 CD2 TYR A 99 -2.575 5.502 13.045 1.00 0.00 C ATOM 1458 CE1 TYR A 99 -4.169 6.918 11.293 1.00 0.00 C ATOM 1459 CE2 TYR A 99 -3.951 5.488 13.199 1.00 0.00 C ATOM 1460 CZ TYR A 99 -4.743 6.198 12.319 1.00 0.00 C ATOM 1461 OH TYR A 99 -6.121 6.194 12.470 1.00 0.00 O ATOM 0 H TYR A 99 -1.234 4.948 9.497 1.00 0.00 H new ATOM 0 HA TYR A 99 1.264 5.549 10.918 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -0.022 6.165 12.877 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -0.188 7.288 11.541 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -2.350 7.508 10.351 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -1.958 4.943 13.733 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -4.791 7.468 10.602 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -4.402 4.925 14.003 1.00 0.00 H new ATOM 0 HH TYR A 99 -6.364 5.638 13.239 1.00 0.00 H new ATOM 1471 N ASN A 100 1.059 3.475 12.265 1.00 0.00 N ATOM 1472 CA ASN A 100 1.108 2.126 12.778 1.00 0.00 C ATOM 1473 C ASN A 100 0.389 2.123 14.103 1.00 0.00 C ATOM 1474 O ASN A 100 0.827 2.768 15.055 1.00 0.00 O ATOM 1475 CB ASN A 100 2.567 1.670 12.963 1.00 0.00 C ATOM 1476 CG ASN A 100 2.732 0.153 13.114 1.00 0.00 C ATOM 1477 OD1 ASN A 100 1.831 -0.566 13.547 1.00 0.00 O ATOM 1478 ND2 ASN A 100 3.894 -0.346 12.759 1.00 0.00 N ATOM 0 H ASN A 100 1.807 4.084 12.598 1.00 0.00 H new ATOM 0 HA ASN A 100 0.634 1.436 12.080 1.00 0.00 H new ATOM 0 HB2 ASN A 100 3.153 2.005 12.107 1.00 0.00 H new ATOM 0 HB3 ASN A 100 2.981 2.160 13.844 1.00 0.00 H new ATOM 0 HD21 ASN A 100 4.065 -1.348 12.839 1.00 0.00 H new ATOM 0 HD22 ASN A 100 4.626 0.269 12.403 1.00 0.00 H new ATOM 1485 N ALA A 101 -0.730 1.452 14.152 1.00 0.00 N ATOM 1486 CA ALA A 101 -1.525 1.413 15.348 1.00 0.00 C ATOM 1487 C ALA A 101 -0.881 0.493 16.360 1.00 0.00 C ATOM 1488 O ALA A 101 -0.183 -0.450 15.985 1.00 0.00 O ATOM 1489 CB ALA A 101 -2.941 0.952 15.034 1.00 0.00 C ATOM 0 H ALA A 101 -1.114 0.921 13.370 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.581 2.417 15.768 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -3.528 0.929 15.952 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.400 1.643 14.327 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -2.910 -0.046 14.598 1.00 0.00 H new ATOM 1495 N TYR A 102 -1.132 0.765 17.624 1.00 0.00 N ATOM 1496 CA TYR A 102 -0.605 -0.006 18.757 1.00 0.00 C ATOM 1497 C TYR A 102 -0.864 -1.517 18.629 1.00 0.00 C ATOM 1498 O TYR A 102 -0.070 -2.324 19.087 1.00 0.00 O ATOM 1499 CB TYR A 102 -1.190 0.534 20.081 1.00 0.00 C ATOM 1500 CG TYR A 102 -2.712 0.475 20.185 1.00 0.00 C ATOM 1501 CD1 TYR A 102 -3.509 1.501 19.690 1.00 0.00 C ATOM 1502 CD2 TYR A 102 -3.343 -0.606 20.786 1.00 0.00 C ATOM 1503 CE1 TYR A 102 -4.886 1.446 19.791 1.00 0.00 C ATOM 1504 CE2 TYR A 102 -4.714 -0.664 20.890 1.00 0.00 C ATOM 1505 CZ TYR A 102 -5.483 0.363 20.391 1.00 0.00 C ATOM 1506 OH TYR A 102 -6.859 0.307 20.505 1.00 0.00 O ATOM 0 H TYR A 102 -1.722 1.546 17.911 1.00 0.00 H new ATOM 0 HA TYR A 102 0.477 0.123 18.754 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -0.762 -0.033 20.908 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -0.872 1.569 20.206 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -3.044 2.355 19.219 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -2.747 -1.416 21.179 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -5.491 2.251 19.400 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -5.186 -1.513 21.362 1.00 0.00 H new ATOM 0 HH TYR A 102 -7.117 -0.526 20.953 1.00 0.00 H new ATOM 1516 N ASN A 103 -1.958 -1.883 17.967 1.00 0.00 N ATOM 1517 CA ASN A 103 -2.320 -3.293 17.803 1.00 0.00 C ATOM 1518 C ASN A 103 -1.521 -3.933 16.654 1.00 0.00 C ATOM 1519 O ASN A 103 -1.591 -5.125 16.420 1.00 0.00 O ATOM 1520 CB ASN A 103 -3.851 -3.445 17.600 1.00 0.00 C ATOM 1521 CG ASN A 103 -4.336 -4.903 17.563 1.00 0.00 C ATOM 1522 OD1 ASN A 103 -4.603 -5.503 18.603 1.00 0.00 O ATOM 1523 ND2 ASN A 103 -4.523 -5.447 16.396 1.00 0.00 N ATOM 0 H ASN A 103 -2.609 -1.227 17.536 1.00 0.00 H new ATOM 0 HA ASN A 103 -2.057 -3.828 18.716 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -4.367 -2.922 18.405 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -4.134 -2.955 16.668 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -4.899 -6.393 16.329 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -4.293 -4.928 15.549 1.00 0.00 H new ATOM 1530 N GLY A 104 -0.755 -3.125 15.949 1.00 0.00 N ATOM 1531 CA GLY A 104 0.088 -3.638 14.893 1.00 0.00 C ATOM 1532 C GLY A 104 -0.531 -3.539 13.523 1.00 0.00 C ATOM 1533 O GLY A 104 -0.018 -4.117 12.562 1.00 0.00 O ATOM 0 H GLY A 104 -0.700 -2.116 16.088 1.00 0.00 H new ATOM 0 HA2 GLY A 104 1.032 -3.093 14.896 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.322 -4.682 15.102 1.00 0.00 H new ATOM 1537 N ASN A 105 -1.615 -2.819 13.412 1.00 0.00 N ATOM 1538 CA ASN A 105 -2.281 -2.657 12.151 1.00 0.00 C ATOM 1539 C ASN A 105 -1.803 -1.386 11.493 1.00 0.00 C ATOM 1540 O ASN A 105 -1.517 -0.396 12.179 1.00 0.00 O ATOM 1541 CB ASN A 105 -3.790 -2.576 12.345 1.00 0.00 C ATOM 1542 CG ASN A 105 -4.379 -3.766 13.068 1.00 0.00 C ATOM 1543 OD1 ASN A 105 -4.501 -3.747 14.284 1.00 0.00 O ATOM 1544 ND2 ASN A 105 -4.740 -4.798 12.348 1.00 0.00 N ATOM 0 H ASN A 105 -2.058 -2.331 14.190 1.00 0.00 H new ATOM 0 HA ASN A 105 -2.050 -3.518 11.524 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -4.027 -1.670 12.903 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -4.267 -2.483 11.370 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -5.138 -5.621 12.800 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -4.624 -4.779 11.335 1.00 0.00 H new ATOM 1551 N ARG A 106 -1.712 -1.397 10.194 1.00 0.00 N ATOM 1552 CA ARG A 106 -1.288 -0.230 9.468 1.00 0.00 C ATOM 1553 C ARG A 106 -2.537 0.517 9.057 1.00 0.00 C ATOM 1554 O ARG A 106 -3.261 0.079 8.176 1.00 0.00 O ATOM 1555 CB ARG A 106 -0.474 -0.644 8.241 1.00 0.00 C ATOM 1556 CG ARG A 106 0.293 0.483 7.564 1.00 0.00 C ATOM 1557 CD ARG A 106 1.294 1.102 8.525 1.00 0.00 C ATOM 1558 NE ARG A 106 2.292 1.928 7.849 1.00 0.00 N ATOM 1559 CZ ARG A 106 3.149 2.746 8.472 1.00 0.00 C ATOM 1560 NH1 ARG A 106 2.954 3.097 9.742 1.00 0.00 N ATOM 1561 NH2 ARG A 106 4.165 3.247 7.823 1.00 0.00 N ATOM 0 H ARG A 106 -1.927 -2.206 9.611 1.00 0.00 H new ATOM 0 HA ARG A 106 -0.652 0.406 10.083 1.00 0.00 H new ATOM 0 HB2 ARG A 106 0.234 -1.417 8.538 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -1.148 -1.093 7.512 1.00 0.00 H new ATOM 0 HG2 ARG A 106 0.813 0.100 6.686 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -0.403 1.245 7.215 1.00 0.00 H new ATOM 0 HD2 ARG A 106 0.761 1.710 9.256 1.00 0.00 H new ATOM 0 HD3 ARG A 106 1.799 0.309 9.077 1.00 0.00 H new ATOM 0 HE ARG A 106 2.339 1.878 6.831 1.00 0.00 H new ATOM 0 HH11 ARG A 106 2.144 2.742 10.251 1.00 0.00 H new ATOM 0 HH12 ARG A 106 3.614 3.721 10.206 1.00 0.00 H new ATOM 0 HH21 ARG A 106 4.307 3.015 6.840 1.00 0.00 H new ATOM 0 HH22 ARG A 106 4.817 3.870 8.299 1.00 0.00 H new ATOM 1575 N VAL A 107 -2.816 1.595 9.719 1.00 0.00 N ATOM 1576 CA VAL A 107 -4.043 2.307 9.487 1.00 0.00 C ATOM 1577 C VAL A 107 -3.778 3.531 8.621 1.00 0.00 C ATOM 1578 O VAL A 107 -2.785 4.241 8.821 1.00 0.00 O ATOM 1579 CB VAL A 107 -4.713 2.715 10.826 1.00 0.00 C ATOM 1580 CG1 VAL A 107 -6.075 3.325 10.586 1.00 0.00 C ATOM 1581 CG2 VAL A 107 -4.829 1.521 11.765 1.00 0.00 C ATOM 0 H VAL A 107 -2.211 2.007 10.429 1.00 0.00 H new ATOM 0 HA VAL A 107 -4.732 1.646 8.960 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.078 3.464 11.298 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -6.523 3.602 11.540 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -5.971 4.213 9.962 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -6.714 2.600 10.082 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -5.302 1.835 12.696 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.433 0.745 11.294 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -3.835 1.127 11.978 1.00 0.00 H new ATOM 1591 N TYR A 108 -4.637 3.744 7.659 1.00 0.00 N ATOM 1592 CA TYR A 108 -4.532 4.838 6.731 1.00 0.00 C ATOM 1593 C TYR A 108 -5.713 5.788 6.882 1.00 0.00 C ATOM 1594 O TYR A 108 -6.878 5.363 6.826 1.00 0.00 O ATOM 1595 CB TYR A 108 -4.455 4.315 5.295 1.00 0.00 C ATOM 1596 CG TYR A 108 -3.187 3.555 4.971 1.00 0.00 C ATOM 1597 CD1 TYR A 108 -2.078 4.223 4.487 1.00 0.00 C ATOM 1598 CD2 TYR A 108 -3.097 2.177 5.144 1.00 0.00 C ATOM 1599 CE1 TYR A 108 -0.913 3.557 4.179 1.00 0.00 C ATOM 1600 CE2 TYR A 108 -1.930 1.497 4.837 1.00 0.00 C ATOM 1601 CZ TYR A 108 -0.840 2.199 4.351 1.00 0.00 C ATOM 1602 OH TYR A 108 0.331 1.539 4.044 1.00 0.00 O ATOM 0 H TYR A 108 -5.448 3.147 7.496 1.00 0.00 H new ATOM 0 HA TYR A 108 -3.617 5.387 6.954 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -5.310 3.664 5.112 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -4.544 5.158 4.610 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -2.126 5.293 4.347 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -3.948 1.631 5.523 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -0.060 4.102 3.803 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -1.871 0.428 4.976 1.00 0.00 H new ATOM 0 HH TYR A 108 1.070 1.928 4.557 1.00 0.00 H new ATOM 1612 N CYS A 109 -5.419 7.049 7.082 1.00 0.00 N ATOM 1613 CA CYS A 109 -6.438 8.072 7.226 1.00 0.00 C ATOM 1614 C CYS A 109 -6.455 8.946 5.976 1.00 0.00 C ATOM 1615 O CYS A 109 -5.400 9.371 5.515 1.00 0.00 O ATOM 1616 CB CYS A 109 -6.180 8.920 8.480 1.00 0.00 C ATOM 1617 SG CYS A 109 -7.430 10.188 8.816 1.00 0.00 S ATOM 0 H CYS A 109 -4.464 7.401 7.151 1.00 0.00 H new ATOM 0 HA CYS A 109 -7.412 7.596 7.342 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -6.116 8.256 9.342 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -5.209 9.406 8.379 1.00 0.00 H new ATOM 0 HG CYS A 109 -7.009 10.972 9.764 1.00 0.00 H new ATOM 1623 N PRO A 110 -7.656 9.216 5.408 1.00 0.00 N ATOM 1624 CA PRO A 110 -7.800 9.984 4.157 1.00 0.00 C ATOM 1625 C PRO A 110 -7.444 11.472 4.274 1.00 0.00 C ATOM 1626 O PRO A 110 -7.194 12.098 3.263 1.00 0.00 O ATOM 1627 CB PRO A 110 -9.279 9.817 3.798 1.00 0.00 C ATOM 1628 CG PRO A 110 -9.955 9.517 5.086 1.00 0.00 C ATOM 1629 CD PRO A 110 -8.964 8.762 5.923 1.00 0.00 C ATOM 0 HA PRO A 110 -7.105 9.613 3.404 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -9.680 10.723 3.344 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -9.422 9.010 3.080 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -10.264 10.436 5.585 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -10.855 8.925 4.923 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -9.078 8.990 6.983 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -9.086 7.684 5.814 1.00 0.00 H new ATOM 1637 N VAL A 111 -7.482 12.003 5.521 1.00 0.00 N ATOM 1638 CA VAL A 111 -7.121 13.415 5.943 1.00 0.00 C ATOM 1639 C VAL A 111 -7.653 14.611 5.086 1.00 0.00 C ATOM 1640 O VAL A 111 -8.258 15.548 5.632 1.00 0.00 O ATOM 1641 CB VAL A 111 -5.617 13.597 6.298 1.00 0.00 C ATOM 1642 CG1 VAL A 111 -5.234 12.666 7.416 1.00 0.00 C ATOM 1643 CG2 VAL A 111 -4.701 13.387 5.108 1.00 0.00 C ATOM 0 H VAL A 111 -7.780 11.440 6.318 1.00 0.00 H new ATOM 0 HA VAL A 111 -7.714 13.490 6.855 1.00 0.00 H new ATOM 0 HB VAL A 111 -5.489 14.631 6.617 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.180 12.801 7.657 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -5.838 12.886 8.296 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -5.406 11.635 7.106 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -3.665 13.527 5.417 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -4.831 12.376 4.723 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -4.947 14.107 4.328 1.00 0.00 H new ATOM 1653 N ARG A 112 -7.403 14.596 3.796 1.00 0.00 N ATOM 1654 CA ARG A 112 -7.850 15.614 2.881 1.00 0.00 C ATOM 1655 C ARG A 112 -7.960 15.032 1.485 1.00 0.00 C ATOM 1656 O ARG A 112 -7.164 14.161 1.092 1.00 0.00 O ATOM 1657 CB ARG A 112 -6.930 16.859 2.891 1.00 0.00 C ATOM 1658 CG ARG A 112 -5.478 16.613 2.539 1.00 0.00 C ATOM 1659 CD ARG A 112 -4.677 17.904 2.616 1.00 0.00 C ATOM 1660 NE ARG A 112 -3.230 17.669 2.484 1.00 0.00 N ATOM 1661 CZ ARG A 112 -2.266 18.534 2.875 1.00 0.00 C ATOM 1662 NH1 ARG A 112 -2.580 19.739 3.341 1.00 0.00 N ATOM 1663 NH2 ARG A 112 -0.996 18.190 2.799 1.00 0.00 N ATOM 0 H ARG A 112 -6.868 13.854 3.345 1.00 0.00 H new ATOM 0 HA ARG A 112 -8.833 15.952 3.210 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -7.334 17.591 2.191 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -6.972 17.309 3.883 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -5.054 15.875 3.220 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -5.408 16.196 1.534 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -5.007 18.582 1.828 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -4.878 18.398 3.567 1.00 0.00 H new ATOM 0 HE ARG A 112 -2.932 16.788 2.066 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -3.558 20.021 3.407 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -1.843 20.381 3.632 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -0.737 17.269 2.445 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -0.272 18.845 3.095 1.00 0.00 H new ATOM 1677 N THR A 113 -8.972 15.456 0.775 1.00 0.00 N ATOM 1678 CA THR A 113 -9.213 15.046 -0.587 1.00 0.00 C ATOM 1679 C THR A 113 -8.017 15.459 -1.474 1.00 0.00 C ATOM 1680 O THR A 113 -7.537 16.598 -1.378 1.00 0.00 O ATOM 1681 CB THR A 113 -10.504 15.734 -1.066 1.00 0.00 C ATOM 1682 OG1 THR A 113 -11.511 15.552 -0.051 1.00 0.00 O ATOM 1683 CG2 THR A 113 -10.999 15.138 -2.378 1.00 0.00 C ATOM 0 H THR A 113 -9.668 16.110 1.133 1.00 0.00 H new ATOM 0 HA THR A 113 -9.324 13.964 -0.651 1.00 0.00 H new ATOM 0 HB THR A 113 -10.301 16.792 -1.235 1.00 0.00 H new ATOM 0 HG1 THR A 113 -12.343 15.984 -0.335 1.00 0.00 H new ATOM 0 HG21 THR A 113 -11.912 15.647 -2.687 1.00 0.00 H new ATOM 0 HG22 THR A 113 -10.236 15.264 -3.146 1.00 0.00 H new ATOM 0 HG23 THR A 113 -11.204 14.076 -2.241 1.00 0.00 H new ATOM 1691 N CYS A 114 -7.517 14.529 -2.279 1.00 0.00 N ATOM 1692 CA CYS A 114 -6.366 14.767 -3.143 1.00 0.00 C ATOM 1693 C CYS A 114 -6.396 13.895 -4.389 1.00 0.00 C ATOM 1694 O CYS A 114 -6.402 12.667 -4.314 1.00 0.00 O ATOM 1695 CB CYS A 114 -5.029 14.589 -2.400 1.00 0.00 C ATOM 1696 SG CYS A 114 -4.680 15.866 -1.164 1.00 0.00 S ATOM 0 H CYS A 114 -7.899 13.586 -2.351 1.00 0.00 H new ATOM 0 HA CYS A 114 -6.439 15.809 -3.456 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -5.028 13.616 -1.909 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -4.220 14.578 -3.131 1.00 0.00 H new ATOM 0 HG CYS A 114 -5.768 16.530 -0.907 1.00 0.00 H new ATOM 1702 N GLN A 115 -6.426 14.532 -5.515 1.00 0.00 N ATOM 1703 CA GLN A 115 -6.399 13.856 -6.790 1.00 0.00 C ATOM 1704 C GLN A 115 -5.111 14.238 -7.476 1.00 0.00 C ATOM 1705 O GLN A 115 -4.748 15.399 -7.452 1.00 0.00 O ATOM 1706 CB GLN A 115 -7.589 14.309 -7.643 1.00 0.00 C ATOM 1707 CG GLN A 115 -8.949 13.969 -7.053 1.00 0.00 C ATOM 1708 CD GLN A 115 -10.091 14.516 -7.879 1.00 0.00 C ATOM 1709 OE1 GLN A 115 -10.543 15.640 -7.664 1.00 0.00 O ATOM 1710 NE2 GLN A 115 -10.562 13.749 -8.820 1.00 0.00 N ATOM 0 H GLN A 115 -6.470 15.549 -5.586 1.00 0.00 H new ATOM 0 HA GLN A 115 -6.461 12.776 -6.654 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -7.528 15.388 -7.787 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -7.509 13.851 -8.629 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -9.047 12.886 -6.975 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -9.013 14.369 -6.041 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -10.163 12.822 -8.970 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -11.330 14.075 -9.407 1.00 0.00 H new ATOM 1719 N GLY A 116 -4.407 13.306 -8.043 1.00 0.00 N ATOM 1720 CA GLY A 116 -3.190 13.665 -8.707 1.00 0.00 C ATOM 1721 C GLY A 116 -2.210 12.550 -8.768 1.00 0.00 C ATOM 1722 O GLY A 116 -2.499 11.432 -8.342 1.00 0.00 O ATOM 0 H GLY A 116 -4.645 12.314 -8.061 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -3.419 13.995 -9.720 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -2.737 14.511 -8.191 1.00 0.00 H new ATOM 1726 N VAL A 117 -1.061 12.856 -9.289 1.00 0.00 N ATOM 1727 CA VAL A 117 0.015 11.921 -9.422 1.00 0.00 C ATOM 1728 C VAL A 117 1.235 12.531 -8.768 1.00 0.00 C ATOM 1729 O VAL A 117 1.474 13.730 -8.927 1.00 0.00 O ATOM 1730 CB VAL A 117 0.312 11.539 -10.918 1.00 0.00 C ATOM 1731 CG1 VAL A 117 -0.832 10.725 -11.503 1.00 0.00 C ATOM 1732 CG2 VAL A 117 0.551 12.778 -11.777 1.00 0.00 C ATOM 0 H VAL A 117 -0.840 13.787 -9.643 1.00 0.00 H new ATOM 0 HA VAL A 117 -0.265 10.988 -8.933 1.00 0.00 H new ATOM 0 HB VAL A 117 1.221 10.937 -10.923 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -0.606 10.471 -12.539 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -0.960 9.810 -10.925 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -1.751 11.310 -11.465 1.00 0.00 H new ATOM 0 HG21 VAL A 117 0.753 12.475 -12.804 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -0.334 13.413 -11.754 1.00 0.00 H new ATOM 0 HG23 VAL A 117 1.405 13.332 -11.387 1.00 0.00 H new ATOM 1742 N PRO A 118 1.986 11.744 -7.982 1.00 0.00 N ATOM 1743 CA PRO A 118 3.163 12.222 -7.245 1.00 0.00 C ATOM 1744 C PRO A 118 4.113 13.083 -8.103 1.00 0.00 C ATOM 1745 O PRO A 118 4.527 12.668 -9.196 1.00 0.00 O ATOM 1746 CB PRO A 118 3.858 10.931 -6.835 1.00 0.00 C ATOM 1747 CG PRO A 118 2.749 9.969 -6.672 1.00 0.00 C ATOM 1748 CD PRO A 118 1.746 10.307 -7.737 1.00 0.00 C ATOM 0 HA PRO A 118 2.878 12.869 -6.416 1.00 0.00 H new ATOM 0 HB2 PRO A 118 4.566 10.600 -7.594 1.00 0.00 H new ATOM 0 HB3 PRO A 118 4.419 11.056 -5.909 1.00 0.00 H new ATOM 0 HG2 PRO A 118 3.103 8.944 -6.781 1.00 0.00 H new ATOM 0 HG3 PRO A 118 2.306 10.049 -5.679 1.00 0.00 H new ATOM 0 HD2 PRO A 118 1.900 9.714 -8.638 1.00 0.00 H new ATOM 0 HD3 PRO A 118 0.725 10.120 -7.403 1.00 0.00 H new ATOM 1756 N PRO A 119 4.503 14.275 -7.618 1.00 0.00 N ATOM 1757 CA PRO A 119 4.109 14.795 -6.309 1.00 0.00 C ATOM 1758 C PRO A 119 2.896 15.746 -6.359 1.00 0.00 C ATOM 1759 O PRO A 119 2.378 16.151 -5.307 1.00 0.00 O ATOM 1760 CB PRO A 119 5.361 15.585 -5.887 1.00 0.00 C ATOM 1761 CG PRO A 119 6.151 15.847 -7.149 1.00 0.00 C ATOM 1762 CD PRO A 119 5.400 15.213 -8.295 1.00 0.00 C ATOM 0 HA PRO A 119 3.803 13.995 -5.634 1.00 0.00 H new ATOM 0 HB2 PRO A 119 5.084 16.521 -5.402 1.00 0.00 H new ATOM 0 HB3 PRO A 119 5.954 15.018 -5.169 1.00 0.00 H new ATOM 0 HG2 PRO A 119 6.267 16.918 -7.313 1.00 0.00 H new ATOM 0 HG3 PRO A 119 7.153 15.426 -7.068 1.00 0.00 H new ATOM 0 HD2 PRO A 119 4.848 15.953 -8.875 1.00 0.00 H new ATOM 0 HD3 PRO A 119 6.072 14.703 -8.985 1.00 0.00 H new ATOM 1770 N ASN A 120 2.413 16.054 -7.564 1.00 0.00 N ATOM 1771 CA ASN A 120 1.371 17.066 -7.739 1.00 0.00 C ATOM 1772 C ASN A 120 0.013 16.516 -7.349 1.00 0.00 C ATOM 1773 O ASN A 120 -0.624 15.773 -8.099 1.00 0.00 O ATOM 1774 CB ASN A 120 1.303 17.540 -9.203 1.00 0.00 C ATOM 1775 CG ASN A 120 2.607 18.102 -9.740 1.00 0.00 C ATOM 1776 OD1 ASN A 120 3.441 17.360 -10.276 1.00 0.00 O ATOM 1777 ND2 ASN A 120 2.794 19.393 -9.626 1.00 0.00 N ATOM 0 H ASN A 120 2.726 15.618 -8.431 1.00 0.00 H new ATOM 0 HA ASN A 120 1.627 17.906 -7.094 1.00 0.00 H new ATOM 0 HB2 ASN A 120 0.997 16.702 -9.830 1.00 0.00 H new ATOM 0 HB3 ASN A 120 0.529 18.303 -9.290 1.00 0.00 H new ATOM 0 HD21 ASN A 120 3.649 19.818 -9.985 1.00 0.00 H new ATOM 0 HD22 ASN A 120 2.085 19.973 -9.178 1.00 0.00 H new ATOM 1784 N HIS A 121 -0.395 16.851 -6.170 1.00 0.00 N ATOM 1785 CA HIS A 121 -1.685 16.481 -5.651 1.00 0.00 C ATOM 1786 C HIS A 121 -2.627 17.676 -5.605 1.00 0.00 C ATOM 1787 O HIS A 121 -2.230 18.750 -5.157 1.00 0.00 O ATOM 1788 CB HIS A 121 -1.565 15.760 -4.284 1.00 0.00 C ATOM 1789 CG HIS A 121 -0.813 16.507 -3.209 1.00 0.00 C ATOM 1790 ND1 HIS A 121 0.561 16.455 -3.074 1.00 0.00 N ATOM 1791 CD2 HIS A 121 -1.254 17.295 -2.198 1.00 0.00 C ATOM 1792 CE1 HIS A 121 0.922 17.162 -2.030 1.00 0.00 C ATOM 1793 NE2 HIS A 121 -0.157 17.687 -1.481 1.00 0.00 N ATOM 0 H HIS A 121 0.166 17.402 -5.520 1.00 0.00 H new ATOM 0 HA HIS A 121 -2.128 15.761 -6.339 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -2.569 15.548 -3.917 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -1.074 14.800 -4.443 1.00 0.00 H new ATOM 0 HD1 HIS A 121 1.195 15.946 -3.690 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -2.280 17.563 -1.996 1.00 0.00 H new ATOM 0 HE1 HIS A 121 1.935 17.293 -1.678 1.00 0.00 H new ATOM 1802 N ILE A 122 -3.832 17.504 -6.081 1.00 0.00 N ATOM 1803 CA ILE A 122 -4.865 18.532 -5.984 1.00 0.00 C ATOM 1804 C ILE A 122 -5.409 18.517 -4.554 1.00 0.00 C ATOM 1805 O ILE A 122 -6.006 17.529 -4.144 1.00 0.00 O ATOM 1806 CB ILE A 122 -6.049 18.251 -6.972 1.00 0.00 C ATOM 1807 CG1 ILE A 122 -5.581 18.264 -8.442 1.00 0.00 C ATOM 1808 CG2 ILE A 122 -7.200 19.229 -6.762 1.00 0.00 C ATOM 1809 CD1 ILE A 122 -4.997 19.578 -8.906 1.00 0.00 C ATOM 0 H ILE A 122 -4.137 16.651 -6.549 1.00 0.00 H new ATOM 0 HA ILE A 122 -4.429 19.497 -6.241 1.00 0.00 H new ATOM 0 HB ILE A 122 -6.416 17.249 -6.749 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -4.834 17.482 -8.579 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -6.427 18.012 -9.081 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -8.002 19.003 -7.465 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -7.574 19.137 -5.742 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -6.848 20.247 -6.929 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -4.696 19.494 -9.950 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -5.745 20.364 -8.807 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -4.128 19.825 -8.296 1.00 0.00 H new ATOM 1821 N PRO A 123 -5.182 19.575 -3.773 1.00 0.00 N ATOM 1822 CA PRO A 123 -5.624 19.624 -2.400 1.00 0.00 C ATOM 1823 C PRO A 123 -7.074 20.087 -2.268 1.00 0.00 C ATOM 1824 O PRO A 123 -7.462 21.145 -2.784 1.00 0.00 O ATOM 1825 CB PRO A 123 -4.667 20.627 -1.757 1.00 0.00 C ATOM 1826 CG PRO A 123 -4.245 21.546 -2.865 1.00 0.00 C ATOM 1827 CD PRO A 123 -4.486 20.819 -4.170 1.00 0.00 C ATOM 0 HA PRO A 123 -5.606 18.641 -1.928 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -5.158 21.179 -0.955 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -3.807 20.122 -1.317 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -4.815 22.475 -2.832 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -3.193 21.813 -2.763 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -5.094 21.415 -4.851 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -3.549 20.604 -4.684 1.00 0.00 H new ATOM 1835 N GLY A 124 -7.871 19.287 -1.626 1.00 0.00 N ATOM 1836 CA GLY A 124 -9.233 19.645 -1.378 1.00 0.00 C ATOM 1837 C GLY A 124 -9.439 20.049 0.060 1.00 0.00 C ATOM 1838 O GLY A 124 -8.575 20.711 0.659 1.00 0.00 O ATOM 0 H GLY A 124 -7.597 18.374 -1.262 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -9.521 20.467 -2.034 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -9.882 18.803 -1.618 1.00 0.00 H new ATOM 1842 N VAL A 125 -10.538 19.620 0.626 1.00 0.00 N ATOM 1843 CA VAL A 125 -10.889 19.967 1.985 1.00 0.00 C ATOM 1844 C VAL A 125 -10.138 19.082 2.966 1.00 0.00 C ATOM 1845 O VAL A 125 -10.170 17.846 2.855 1.00 0.00 O ATOM 1846 CB VAL A 125 -12.421 19.823 2.232 1.00 0.00 C ATOM 1847 CG1 VAL A 125 -12.796 20.206 3.661 1.00 0.00 C ATOM 1848 CG2 VAL A 125 -13.206 20.663 1.240 1.00 0.00 C ATOM 0 H VAL A 125 -11.218 19.019 0.159 1.00 0.00 H new ATOM 0 HA VAL A 125 -10.609 21.009 2.140 1.00 0.00 H new ATOM 0 HB VAL A 125 -12.679 18.774 2.086 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -13.872 20.094 3.797 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -12.271 19.556 4.361 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -12.513 21.242 3.846 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -14.273 20.548 1.430 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -12.929 21.711 1.351 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -12.981 20.334 0.226 1.00 0.00 H new ATOM 1858 N ALA A 126 -9.406 19.711 3.854 1.00 0.00 N ATOM 1859 CA ALA A 126 -8.746 19.028 4.927 1.00 0.00 C ATOM 1860 C ALA A 126 -9.641 19.068 6.127 1.00 0.00 C ATOM 1861 O ALA A 126 -10.145 20.134 6.487 1.00 0.00 O ATOM 1862 CB ALA A 126 -7.408 19.669 5.240 1.00 0.00 C ATOM 0 H ALA A 126 -9.254 20.720 3.847 1.00 0.00 H new ATOM 0 HA ALA A 126 -8.550 17.995 4.638 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -6.929 19.131 6.058 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -6.770 19.630 4.357 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -7.562 20.708 5.530 1.00 0.00 H new ATOM 1868 N TRP A 127 -9.852 17.942 6.745 1.00 0.00 N ATOM 1869 CA TRP A 127 -10.732 17.869 7.900 1.00 0.00 C ATOM 1870 C TRP A 127 -9.923 17.968 9.189 1.00 0.00 C ATOM 1871 O TRP A 127 -10.438 17.777 10.291 1.00 0.00 O ATOM 1872 CB TRP A 127 -11.568 16.583 7.846 1.00 0.00 C ATOM 1873 CG TRP A 127 -12.331 16.447 6.556 1.00 0.00 C ATOM 1874 CD1 TRP A 127 -13.396 17.196 6.153 1.00 0.00 C ATOM 1875 CD2 TRP A 127 -12.079 15.508 5.499 1.00 0.00 C ATOM 1876 NE1 TRP A 127 -13.807 16.794 4.905 1.00 0.00 N ATOM 1877 CE2 TRP A 127 -13.016 15.759 4.485 1.00 0.00 C ATOM 1878 CE3 TRP A 127 -11.146 14.484 5.312 1.00 0.00 C ATOM 1879 CZ2 TRP A 127 -13.048 15.027 3.302 1.00 0.00 C ATOM 1880 CZ3 TRP A 127 -11.180 13.758 4.139 1.00 0.00 C ATOM 1881 CH2 TRP A 127 -12.124 14.034 3.147 1.00 0.00 C ATOM 0 H TRP A 127 -9.430 17.053 6.476 1.00 0.00 H new ATOM 0 HA TRP A 127 -11.422 18.713 7.882 1.00 0.00 H new ATOM 0 HB2 TRP A 127 -10.912 15.721 7.969 1.00 0.00 H new ATOM 0 HB3 TRP A 127 -12.268 16.573 8.682 1.00 0.00 H new ATOM 0 HD1 TRP A 127 -13.850 17.989 6.729 1.00 0.00 H new ATOM 0 HE1 TRP A 127 -14.578 17.202 4.376 1.00 0.00 H new ATOM 0 HE3 TRP A 127 -10.411 14.265 6.073 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 -13.778 15.237 2.534 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 -10.465 12.963 3.985 1.00 0.00 H new ATOM 0 HH2 TRP A 127 -12.123 13.450 2.239 1.00 0.00 H new ATOM 1892 N GLY A 128 -8.672 18.354 9.038 1.00 0.00 N ATOM 1893 CA GLY A 128 -7.787 18.467 10.144 1.00 0.00 C ATOM 1894 C GLY A 128 -6.604 19.336 9.811 1.00 0.00 C ATOM 1895 O GLY A 128 -6.506 19.870 8.690 1.00 0.00 O ATOM 0 H GLY A 128 -8.255 18.595 8.139 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -8.320 18.886 10.998 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -7.442 17.476 10.439 1.00 0.00 H new ATOM 1899 N VAL A 129 -5.710 19.461 10.753 1.00 0.00 N ATOM 1900 CA VAL A 129 -4.557 20.325 10.643 1.00 0.00 C ATOM 1901 C VAL A 129 -3.293 19.468 10.620 1.00 0.00 C ATOM 1902 O VAL A 129 -3.216 18.447 11.309 1.00 0.00 O ATOM 1903 CB VAL A 129 -4.504 21.308 11.847 1.00 0.00 C ATOM 1904 CG1 VAL A 129 -3.415 22.343 11.676 1.00 0.00 C ATOM 1905 CG2 VAL A 129 -5.842 21.986 12.049 1.00 0.00 C ATOM 0 H VAL A 129 -5.760 18.957 11.638 1.00 0.00 H new ATOM 0 HA VAL A 129 -4.627 20.905 9.723 1.00 0.00 H new ATOM 0 HB VAL A 129 -4.271 20.719 12.734 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -3.410 23.011 12.537 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -2.449 21.845 11.597 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -3.601 22.920 10.770 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -5.780 22.668 12.897 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -6.106 22.545 11.151 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -6.606 21.233 12.245 1.00 0.00 H new ATOM 1915 N PHE A 130 -2.327 19.874 9.838 1.00 0.00 N ATOM 1916 CA PHE A 130 -1.100 19.127 9.667 1.00 0.00 C ATOM 1917 C PHE A 130 0.076 19.845 10.305 1.00 0.00 C ATOM 1918 O PHE A 130 0.149 21.078 10.288 1.00 0.00 O ATOM 1919 CB PHE A 130 -0.802 18.932 8.176 1.00 0.00 C ATOM 1920 CG PHE A 130 -1.828 18.139 7.425 1.00 0.00 C ATOM 1921 CD1 PHE A 130 -2.969 18.748 6.930 1.00 0.00 C ATOM 1922 CD2 PHE A 130 -1.645 16.787 7.210 1.00 0.00 C ATOM 1923 CE1 PHE A 130 -3.908 18.023 6.238 1.00 0.00 C ATOM 1924 CE2 PHE A 130 -2.580 16.057 6.515 1.00 0.00 C ATOM 1925 CZ PHE A 130 -3.715 16.678 6.028 1.00 0.00 C ATOM 0 H PHE A 130 -2.366 20.738 9.297 1.00 0.00 H new ATOM 0 HA PHE A 130 -1.235 18.161 10.154 1.00 0.00 H new ATOM 0 HB2 PHE A 130 -0.708 19.912 7.708 1.00 0.00 H new ATOM 0 HB3 PHE A 130 0.164 18.437 8.075 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -3.122 19.805 7.090 1.00 0.00 H new ATOM 0 HD2 PHE A 130 -0.760 16.299 7.591 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -4.796 18.508 5.860 1.00 0.00 H new ATOM 0 HE2 PHE A 130 -2.428 15.001 6.350 1.00 0.00 H new ATOM 0 HZ PHE A 130 -4.451 16.106 5.482 1.00 0.00 H new ATOM 1935 N LYS A 131 0.950 19.077 10.900 1.00 0.00 N ATOM 1936 CA LYS A 131 2.217 19.536 11.435 1.00 0.00 C ATOM 1937 C LYS A 131 3.240 18.433 11.180 1.00 0.00 C ATOM 1938 O LYS A 131 3.564 18.168 10.018 1.00 0.00 O ATOM 1939 CB LYS A 131 2.186 19.856 12.974 1.00 0.00 C ATOM 1940 CG LYS A 131 1.504 21.159 13.422 1.00 0.00 C ATOM 1941 CD LYS A 131 -0.012 21.080 13.417 1.00 0.00 C ATOM 1942 CE LYS A 131 -0.635 22.407 13.835 1.00 0.00 C ATOM 1943 NZ LYS A 131 -0.311 23.507 12.895 1.00 0.00 N ATOM 1944 OXT LYS A 131 3.703 17.805 12.142 1.00 0.00 O ATOM 0 H LYS A 131 0.799 18.077 11.033 1.00 0.00 H new ATOM 0 HA LYS A 131 2.467 20.474 10.938 1.00 0.00 H new ATOM 0 HB2 LYS A 131 1.689 19.027 13.478 1.00 0.00 H new ATOM 0 HB3 LYS A 131 3.215 19.876 13.333 1.00 0.00 H new ATOM 0 HG2 LYS A 131 1.844 21.411 14.427 1.00 0.00 H new ATOM 0 HG3 LYS A 131 1.820 21.970 12.766 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -0.361 20.809 12.421 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -0.340 20.292 14.095 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -1.717 22.293 13.897 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -0.285 22.671 14.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -0.936 24.317 13.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 0.679 23.796 13.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -0.449 23.180 11.917 1.00 0.00 H new