USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=21 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 44 THR OG1 : rot -109:sc= -0.307 USER MOD Set 1.2: A 91 GLN : amide:sc= 1.6 K(o=1.3,f=-1.8!) USER MOD Set 2.1: A 42 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 66 SER OG : rot -98:sc= 0.32 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.292 K(o=-0.29,f=-7.9!) USER MOD Single : A 41 GLN :FLIP amide:sc= 0 F(o=-0.8,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -115:sc= 0.086 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0.691 K(o=0.69,f=-1.5!) USER MOD Single : A 57 ASN : amide:sc= -0.651 K(o=-0.65,f=-4!) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0.318 K(o=0.32,f=-6!) USER MOD Single : A 76 ASN :FLIP amide:sc=-0.00921 F(o=-0.73,f=-0.0092) 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 -169:sc= -2.45 USER MOD Single : A 94 HIS : no HE2:sc= -0.503 K(o=-0.5,f=-1.1) USER MOD Single : A 99 TYR OH : rot 180:sc= -0.0477 USER MOD Single : A 100 ASN : amide:sc= 0.046 X(o=0.046,f=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 105 ASN : amide:sc= -2.27! C(o=-2.3!,f=-9.9!) USER MOD Single : A 108 TYR OH : rot -115:sc= 1.26 USER MOD Single : A 109 CYS SG : rot 180:sc= -0.698 USER MOD Single : A 113 THR OG1 : rot -170:sc= 0.0925 USER MOD Single : A 114 CYS SG : rot 14:sc= 0.584 USER MOD Single : A 115 GLN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Single : A 120 ASN : amide:sc= -0.0191 K(o=-0.019,f=-1.6!) USER MOD Single : A 121 HIS : no HE2:sc= 0.277 K(o=0.28,f=-0.93) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 504 N TRP A 37 8.709 9.568 -4.700 1.00 0.00 N ATOM 505 CA TRP A 37 7.719 8.671 -4.177 1.00 0.00 C ATOM 506 C TRP A 37 7.968 7.269 -4.703 1.00 0.00 C ATOM 507 O TRP A 37 8.558 7.093 -5.780 1.00 0.00 O ATOM 508 CB TRP A 37 6.317 9.142 -4.560 1.00 0.00 C ATOM 509 CG TRP A 37 5.904 10.445 -3.929 1.00 0.00 C ATOM 510 CD1 TRP A 37 6.388 11.692 -4.205 1.00 0.00 C ATOM 511 CD2 TRP A 37 4.887 10.625 -2.937 1.00 0.00 C ATOM 512 NE1 TRP A 37 5.747 12.623 -3.431 1.00 0.00 N ATOM 513 CE2 TRP A 37 4.823 11.996 -2.649 1.00 0.00 C ATOM 514 CE3 TRP A 37 4.033 9.758 -2.262 1.00 0.00 C ATOM 515 CZ2 TRP A 37 3.936 12.523 -1.716 1.00 0.00 C ATOM 516 CZ3 TRP A 37 3.153 10.280 -1.339 1.00 0.00 C ATOM 517 CH2 TRP A 37 3.112 11.650 -1.073 1.00 0.00 C ATOM 0 HA TRP A 37 7.791 8.660 -3.089 1.00 0.00 H new ATOM 0 HB2 TRP A 37 6.265 9.245 -5.644 1.00 0.00 H new ATOM 0 HB3 TRP A 37 5.599 8.372 -4.278 1.00 0.00 H new ATOM 0 HD1 TRP A 37 7.161 11.911 -4.926 1.00 0.00 H new ATOM 0 HE1 TRP A 37 5.932 13.626 -3.439 1.00 0.00 H new ATOM 0 HE3 TRP A 37 4.059 8.696 -2.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 3.902 13.583 -1.510 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.483 9.617 -0.812 1.00 0.00 H new ATOM 0 HH2 TRP A 37 2.412 12.025 -0.342 1.00 0.00 H new ATOM 528 N LYS A 38 7.546 6.293 -3.955 1.00 0.00 N ATOM 529 CA LYS A 38 7.712 4.910 -4.325 1.00 0.00 C ATOM 530 C LYS A 38 6.335 4.321 -4.568 1.00 0.00 C ATOM 531 O LYS A 38 5.420 4.549 -3.781 1.00 0.00 O ATOM 532 CB LYS A 38 8.422 4.166 -3.188 1.00 0.00 C ATOM 533 CG LYS A 38 9.747 4.810 -2.789 1.00 0.00 C ATOM 534 CD LYS A 38 10.397 4.110 -1.611 1.00 0.00 C ATOM 535 CE LYS A 38 11.672 4.833 -1.195 1.00 0.00 C ATOM 536 NZ LYS A 38 12.303 4.227 -0.006 1.00 0.00 N ATOM 0 H LYS A 38 7.072 6.431 -3.062 1.00 0.00 H new ATOM 0 HA LYS A 38 8.315 4.817 -5.228 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.765 4.131 -2.319 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.603 3.135 -3.493 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.428 4.792 -3.640 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.578 5.857 -2.538 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.702 4.076 -0.772 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.627 3.078 -1.876 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.380 4.821 -2.024 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.442 5.878 -0.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 13.166 4.755 0.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.640 4.261 0.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.549 3.237 -0.210 1.00 0.00 H new ATOM 550 N LYS A 39 6.172 3.603 -5.650 1.00 0.00 N ATOM 551 CA LYS A 39 4.875 3.048 -5.987 1.00 0.00 C ATOM 552 C LYS A 39 4.690 1.670 -5.372 1.00 0.00 C ATOM 553 O LYS A 39 5.557 0.806 -5.483 1.00 0.00 O ATOM 554 CB LYS A 39 4.671 3.003 -7.508 1.00 0.00 C ATOM 555 CG LYS A 39 3.305 2.480 -7.931 1.00 0.00 C ATOM 556 CD LYS A 39 3.100 2.582 -9.431 1.00 0.00 C ATOM 557 CE LYS A 39 1.735 2.052 -9.822 1.00 0.00 C ATOM 558 NZ LYS A 39 1.431 2.273 -11.253 1.00 0.00 N ATOM 0 H LYS A 39 6.915 3.386 -6.314 1.00 0.00 H new ATOM 0 HA LYS A 39 4.114 3.706 -5.566 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.807 4.006 -7.913 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.443 2.373 -7.950 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.202 1.440 -7.620 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.526 3.044 -7.419 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.196 3.621 -9.746 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.876 2.018 -9.948 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.687 0.985 -9.604 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.972 2.537 -9.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.487 1.893 -11.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.450 3.292 -11.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.142 1.789 -11.838 1.00 0.00 H new ATOM 572 N ASN A 40 3.580 1.494 -4.710 1.00 0.00 N ATOM 573 CA ASN A 40 3.211 0.243 -4.077 1.00 0.00 C ATOM 574 C ASN A 40 2.224 -0.465 -5.015 1.00 0.00 C ATOM 575 O ASN A 40 1.594 0.191 -5.849 1.00 0.00 O ATOM 576 CB ASN A 40 2.549 0.572 -2.714 1.00 0.00 C ATOM 577 CG ASN A 40 2.327 -0.612 -1.768 1.00 0.00 C ATOM 578 OD1 ASN A 40 2.101 -1.749 -2.177 1.00 0.00 O ATOM 579 ND2 ASN A 40 2.389 -0.342 -0.499 1.00 0.00 N ATOM 0 H ASN A 40 2.885 2.230 -4.589 1.00 0.00 H new ATOM 0 HA ASN A 40 4.070 -0.404 -3.899 1.00 0.00 H new ATOM 0 HB2 ASN A 40 3.167 1.309 -2.202 1.00 0.00 H new ATOM 0 HB3 ASN A 40 1.585 1.043 -2.906 1.00 0.00 H new ATOM 0 HD21 ASN A 40 2.248 -1.083 0.188 1.00 0.00 H new ATOM 0 HD22 ASN A 40 2.578 0.611 -0.189 1.00 0.00 H new ATOM 586 N GLN A 41 2.059 -1.769 -4.864 1.00 0.00 N ATOM 587 CA GLN A 41 1.183 -2.572 -5.734 1.00 0.00 C ATOM 588 C GLN A 41 -0.301 -2.194 -5.600 1.00 0.00 C ATOM 589 O GLN A 41 -1.137 -2.605 -6.415 1.00 0.00 O ATOM 590 CB GLN A 41 1.366 -4.062 -5.473 1.00 0.00 C ATOM 591 CG GLN A 41 2.754 -4.586 -5.804 1.00 0.00 C ATOM 592 CD GLN A 41 2.879 -6.092 -5.618 1.00 0.00 C ATOM 593 OE1 GLN A 41 2.163 -6.639 -4.683 1.00 0.00 O flip ATOM 594 NE2 GLN A 41 3.647 -6.756 -6.319 1.00 0.00 N flip ATOM 0 H GLN A 41 2.525 -2.311 -4.137 1.00 0.00 H new ATOM 0 HA GLN A 41 1.485 -2.347 -6.757 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.154 -4.264 -4.423 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.632 -4.615 -6.059 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.997 -4.331 -6.836 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.486 -4.085 -5.171 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.197 -6.299 -7.046 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.732 -7.762 -6.171 1.00 0.00 H new ATOM 603 N TYR A 42 -0.625 -1.404 -4.582 1.00 0.00 N ATOM 604 CA TYR A 42 -1.991 -0.918 -4.392 1.00 0.00 C ATOM 605 C TYR A 42 -2.282 0.234 -5.374 1.00 0.00 C ATOM 606 O TYR A 42 -3.399 0.755 -5.440 1.00 0.00 O ATOM 607 CB TYR A 42 -2.207 -0.399 -2.957 1.00 0.00 C ATOM 608 CG TYR A 42 -1.955 -1.392 -1.835 1.00 0.00 C ATOM 609 CD1 TYR A 42 -2.706 -2.551 -1.710 1.00 0.00 C ATOM 610 CD2 TYR A 42 -0.970 -1.151 -0.890 1.00 0.00 C ATOM 611 CE1 TYR A 42 -2.484 -3.440 -0.676 1.00 0.00 C ATOM 612 CE2 TYR A 42 -0.743 -2.032 0.147 1.00 0.00 C ATOM 613 CZ TYR A 42 -1.500 -3.173 0.251 1.00 0.00 C ATOM 614 OH TYR A 42 -1.275 -4.056 1.297 1.00 0.00 O ATOM 0 H TYR A 42 0.038 -1.086 -3.875 1.00 0.00 H new ATOM 0 HA TYR A 42 -2.665 -1.755 -4.575 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -1.557 0.462 -2.804 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -3.234 -0.042 -2.873 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -3.479 -2.763 -2.434 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -0.369 -0.257 -0.967 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -3.078 -4.338 -0.595 1.00 0.00 H new ATOM 0 HE2 TYR A 42 0.028 -1.825 0.875 1.00 0.00 H new ATOM 0 HH TYR A 42 -0.546 -3.719 1.859 1.00 0.00 H new ATOM 624 N GLY A 43 -1.251 0.650 -6.109 1.00 0.00 N ATOM 625 CA GLY A 43 -1.374 1.756 -7.041 1.00 0.00 C ATOM 626 C GLY A 43 -1.118 3.061 -6.334 1.00 0.00 C ATOM 627 O GLY A 43 -1.194 4.146 -6.914 1.00 0.00 O ATOM 0 H GLY A 43 -0.321 0.232 -6.072 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.665 1.632 -7.860 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.371 1.762 -7.481 1.00 0.00 H new ATOM 631 N THR A 44 -0.810 2.927 -5.077 1.00 0.00 N ATOM 632 CA THR A 44 -0.565 4.005 -4.194 1.00 0.00 C ATOM 633 C THR A 44 0.911 4.363 -4.236 1.00 0.00 C ATOM 634 O THR A 44 1.764 3.481 -4.346 1.00 0.00 O ATOM 635 CB THR A 44 -0.904 3.538 -2.774 1.00 0.00 C ATOM 636 OG1 THR A 44 -2.165 2.864 -2.792 1.00 0.00 O ATOM 637 CG2 THR A 44 -0.978 4.704 -1.817 1.00 0.00 C ATOM 0 H THR A 44 -0.721 2.015 -4.629 1.00 0.00 H new ATOM 0 HA THR A 44 -1.165 4.869 -4.480 1.00 0.00 H new ATOM 0 HB THR A 44 -0.116 2.866 -2.435 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.839 3.419 -2.347 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.220 4.340 -0.818 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.016 5.217 -1.793 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.751 5.398 -2.148 1.00 0.00 H new ATOM 645 N TRP A 45 1.200 5.621 -4.188 1.00 0.00 N ATOM 646 CA TRP A 45 2.557 6.076 -4.090 1.00 0.00 C ATOM 647 C TRP A 45 2.790 6.476 -2.670 1.00 0.00 C ATOM 648 O TRP A 45 1.929 7.118 -2.076 1.00 0.00 O ATOM 649 CB TRP A 45 2.800 7.261 -5.002 1.00 0.00 C ATOM 650 CG TRP A 45 2.705 6.942 -6.457 1.00 0.00 C ATOM 651 CD1 TRP A 45 1.570 6.787 -7.191 1.00 0.00 C ATOM 652 CD2 TRP A 45 3.797 6.768 -7.358 1.00 0.00 C ATOM 653 NE1 TRP A 45 1.890 6.513 -8.492 1.00 0.00 N ATOM 654 CE2 TRP A 45 3.251 6.497 -8.623 1.00 0.00 C ATOM 655 CE3 TRP A 45 5.185 6.811 -7.217 1.00 0.00 C ATOM 656 CZ2 TRP A 45 4.042 6.272 -9.740 1.00 0.00 C ATOM 657 CZ3 TRP A 45 5.972 6.587 -8.326 1.00 0.00 C ATOM 658 CH2 TRP A 45 5.398 6.321 -9.571 1.00 0.00 C ATOM 0 H TRP A 45 0.505 6.367 -4.215 1.00 0.00 H new ATOM 0 HA TRP A 45 3.239 5.282 -4.394 1.00 0.00 H new ATOM 0 HB2 TRP A 45 2.078 8.042 -4.765 1.00 0.00 H new ATOM 0 HB3 TRP A 45 3.790 7.668 -4.794 1.00 0.00 H new ATOM 0 HD1 TRP A 45 0.565 6.868 -6.804 1.00 0.00 H new ATOM 0 HE1 TRP A 45 1.221 6.347 -9.244 1.00 0.00 H new ATOM 0 HE3 TRP A 45 5.634 7.016 -6.256 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 3.604 6.066 -10.705 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 7.047 6.618 -8.231 1.00 0.00 H new ATOM 0 HH2 TRP A 45 6.041 6.150 -10.422 1.00 0.00 H new ATOM 669 N TYR A 46 3.899 6.099 -2.112 1.00 0.00 N ATOM 670 CA TYR A 46 4.164 6.412 -0.738 1.00 0.00 C ATOM 671 C TYR A 46 5.589 6.868 -0.534 1.00 0.00 C ATOM 672 O TYR A 46 6.479 6.559 -1.343 1.00 0.00 O ATOM 673 CB TYR A 46 3.854 5.208 0.177 1.00 0.00 C ATOM 674 CG TYR A 46 4.796 4.021 0.047 1.00 0.00 C ATOM 675 CD1 TYR A 46 4.673 3.107 -0.990 1.00 0.00 C ATOM 676 CD2 TYR A 46 5.807 3.817 0.982 1.00 0.00 C ATOM 677 CE1 TYR A 46 5.529 2.026 -1.091 1.00 0.00 C ATOM 678 CE2 TYR A 46 6.659 2.742 0.887 1.00 0.00 C ATOM 679 CZ TYR A 46 6.517 1.849 -0.147 1.00 0.00 C ATOM 680 OH TYR A 46 7.373 0.764 -0.237 1.00 0.00 O ATOM 0 H TYR A 46 4.636 5.575 -2.584 1.00 0.00 H new ATOM 0 HA TYR A 46 3.504 7.236 -0.466 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.869 5.549 1.212 1.00 0.00 H new ATOM 0 HB3 TYR A 46 2.840 4.868 -0.032 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.897 3.242 -1.729 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.924 4.516 1.797 1.00 0.00 H new ATOM 0 HE1 TYR A 46 5.424 1.324 -1.905 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.437 2.600 1.623 1.00 0.00 H new ATOM 0 HH TYR A 46 8.011 0.788 0.506 1.00 0.00 H new ATOM 690 N LYS A 47 5.789 7.623 0.511 1.00 0.00 N ATOM 691 CA LYS A 47 7.098 8.029 0.934 1.00 0.00 C ATOM 692 C LYS A 47 7.107 8.147 2.459 1.00 0.00 C ATOM 693 O LYS A 47 6.125 8.628 3.048 1.00 0.00 O ATOM 694 CB LYS A 47 7.536 9.372 0.301 1.00 0.00 C ATOM 695 CG LYS A 47 6.722 10.593 0.718 1.00 0.00 C ATOM 696 CD LYS A 47 7.402 11.870 0.265 1.00 0.00 C ATOM 697 CE LYS A 47 6.681 13.106 0.764 1.00 0.00 C ATOM 698 NZ LYS A 47 7.422 14.341 0.428 1.00 0.00 N ATOM 0 H LYS A 47 5.036 7.978 1.100 1.00 0.00 H new ATOM 0 HA LYS A 47 7.810 7.274 0.600 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.581 9.550 0.556 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.484 9.276 -0.784 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.723 10.535 0.287 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.602 10.604 1.801 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.431 11.880 0.625 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.446 11.891 -0.824 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.684 13.148 0.325 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.551 13.041 1.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.742 14.803 1.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.247 14.102 -0.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.799 14.988 -0.097 1.00 0.00 H new ATOM 712 N PRO A 48 8.140 7.638 3.128 1.00 0.00 N ATOM 713 CA PRO A 48 8.301 7.818 4.568 1.00 0.00 C ATOM 714 C PRO A 48 8.574 9.285 4.922 1.00 0.00 C ATOM 715 O PRO A 48 9.454 9.937 4.324 1.00 0.00 O ATOM 716 CB PRO A 48 9.526 6.959 4.905 1.00 0.00 C ATOM 717 CG PRO A 48 9.650 6.020 3.765 1.00 0.00 C ATOM 718 CD PRO A 48 9.204 6.794 2.571 1.00 0.00 C ATOM 0 HA PRO A 48 7.405 7.536 5.122 1.00 0.00 H new ATOM 0 HB2 PRO A 48 10.421 7.571 5.014 1.00 0.00 H new ATOM 0 HB3 PRO A 48 9.389 6.425 5.845 1.00 0.00 H new ATOM 0 HG2 PRO A 48 10.677 5.675 3.649 1.00 0.00 H new ATOM 0 HG3 PRO A 48 9.031 5.135 3.914 1.00 0.00 H new ATOM 0 HD2 PRO A 48 10.013 7.387 2.145 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.835 6.143 1.779 1.00 0.00 H new ATOM 726 N GLU A 49 7.813 9.789 5.866 1.00 0.00 N ATOM 727 CA GLU A 49 7.930 11.145 6.352 1.00 0.00 C ATOM 728 C GLU A 49 7.100 11.252 7.622 1.00 0.00 C ATOM 729 O GLU A 49 5.893 10.985 7.603 1.00 0.00 O ATOM 730 CB GLU A 49 7.413 12.137 5.290 1.00 0.00 C ATOM 731 CG GLU A 49 7.585 13.606 5.642 1.00 0.00 C ATOM 732 CD GLU A 49 7.065 14.513 4.552 1.00 0.00 C ATOM 733 OE1 GLU A 49 7.776 14.739 3.552 1.00 0.00 O ATOM 734 OE2 GLU A 49 5.929 15.029 4.675 1.00 0.00 O ATOM 0 H GLU A 49 7.078 9.255 6.329 1.00 0.00 H new ATOM 0 HA GLU A 49 8.972 11.389 6.558 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.930 11.942 4.350 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.354 11.942 5.118 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.060 13.820 6.573 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.640 13.816 5.816 1.00 0.00 H new ATOM 741 N ASN A 50 7.733 11.609 8.713 1.00 0.00 N ATOM 742 CA ASN A 50 7.043 11.728 9.991 1.00 0.00 C ATOM 743 C ASN A 50 6.478 13.109 10.168 1.00 0.00 C ATOM 744 O ASN A 50 7.222 14.082 10.352 1.00 0.00 O ATOM 745 CB ASN A 50 7.954 11.391 11.183 1.00 0.00 C ATOM 746 CG ASN A 50 8.330 9.924 11.287 1.00 0.00 C ATOM 747 OD1 ASN A 50 9.313 9.475 10.696 1.00 0.00 O ATOM 748 ND2 ASN A 50 7.596 9.175 12.077 1.00 0.00 N ATOM 0 H ASN A 50 8.729 11.825 8.749 1.00 0.00 H new ATOM 0 HA ASN A 50 6.231 11.001 9.972 1.00 0.00 H new ATOM 0 HB2 ASN A 50 8.866 11.983 11.107 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.454 11.692 12.104 1.00 0.00 H new ATOM 0 HD21 ASN A 50 7.834 8.193 12.215 1.00 0.00 H new ATOM 0 HD22 ASN A 50 6.788 9.575 12.553 1.00 0.00 H new ATOM 755 N ALA A 51 5.187 13.213 10.108 1.00 0.00 N ATOM 756 CA ALA A 51 4.518 14.474 10.302 1.00 0.00 C ATOM 757 C ALA A 51 3.325 14.282 11.211 1.00 0.00 C ATOM 758 O ALA A 51 2.901 13.146 11.442 1.00 0.00 O ATOM 759 CB ALA A 51 4.115 15.088 8.981 1.00 0.00 C ATOM 0 H ALA A 51 4.561 12.429 9.923 1.00 0.00 H new ATOM 0 HA ALA A 51 5.209 15.170 10.778 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.612 16.039 9.160 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.003 15.256 8.372 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.438 14.413 8.457 1.00 0.00 H new ATOM 765 N THR A 52 2.777 15.353 11.720 1.00 0.00 N ATOM 766 CA THR A 52 1.707 15.245 12.663 1.00 0.00 C ATOM 767 C THR A 52 0.389 15.802 12.103 1.00 0.00 C ATOM 768 O THR A 52 0.359 16.846 11.438 1.00 0.00 O ATOM 769 CB THR A 52 2.096 15.963 13.970 1.00 0.00 C ATOM 770 OG1 THR A 52 3.380 15.474 14.386 1.00 0.00 O ATOM 771 CG2 THR A 52 1.083 15.701 15.076 1.00 0.00 C ATOM 0 H THR A 52 3.057 16.308 11.495 1.00 0.00 H new ATOM 0 HA THR A 52 1.540 14.188 12.868 1.00 0.00 H new ATOM 0 HB THR A 52 2.122 17.037 13.785 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.647 15.921 15.217 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.390 16.223 15.982 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.103 16.061 14.764 1.00 0.00 H new ATOM 0 HG23 THR A 52 1.030 14.631 15.275 1.00 0.00 H new ATOM 779 N PHE A 53 -0.663 15.072 12.343 1.00 0.00 N ATOM 780 CA PHE A 53 -1.992 15.447 11.977 1.00 0.00 C ATOM 781 C PHE A 53 -2.813 15.582 13.242 1.00 0.00 C ATOM 782 O PHE A 53 -2.839 14.667 14.083 1.00 0.00 O ATOM 783 CB PHE A 53 -2.612 14.392 11.040 1.00 0.00 C ATOM 784 CG PHE A 53 -4.077 14.609 10.746 1.00 0.00 C ATOM 785 CD1 PHE A 53 -4.492 15.653 9.942 1.00 0.00 C ATOM 786 CD2 PHE A 53 -5.037 13.766 11.291 1.00 0.00 C ATOM 787 CE1 PHE A 53 -5.832 15.856 9.685 1.00 0.00 C ATOM 788 CE2 PHE A 53 -6.379 13.967 11.037 1.00 0.00 C ATOM 789 CZ PHE A 53 -6.776 15.014 10.232 1.00 0.00 C ATOM 0 H PHE A 53 -0.613 14.169 12.815 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.976 16.396 11.442 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.061 14.389 10.100 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.485 13.406 11.487 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.759 16.318 9.510 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.730 12.944 11.921 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -6.142 16.676 9.054 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -7.116 13.306 11.468 1.00 0.00 H new ATOM 0 HZ PHE A 53 -7.825 15.174 10.031 1.00 0.00 H new ATOM 799 N VAL A 54 -3.446 16.699 13.397 1.00 0.00 N ATOM 800 CA VAL A 54 -4.282 16.930 14.533 1.00 0.00 C ATOM 801 C VAL A 54 -5.720 16.835 14.073 1.00 0.00 C ATOM 802 O VAL A 54 -6.218 17.711 13.340 1.00 0.00 O ATOM 803 CB VAL A 54 -4.024 18.319 15.186 1.00 0.00 C ATOM 804 CG1 VAL A 54 -4.868 18.499 16.444 1.00 0.00 C ATOM 805 CG2 VAL A 54 -2.545 18.506 15.505 1.00 0.00 C ATOM 0 H VAL A 54 -3.399 17.478 12.740 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.058 16.182 15.294 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.318 19.083 14.466 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.668 19.478 16.880 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.925 18.426 16.187 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.615 17.722 17.166 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.392 19.484 15.960 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.221 17.729 16.197 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.963 18.439 14.586 1.00 0.00 H new ATOM 815 N ASN A 55 -6.356 15.747 14.423 1.00 0.00 N ATOM 816 CA ASN A 55 -7.743 15.538 14.069 1.00 0.00 C ATOM 817 C ASN A 55 -8.572 16.390 14.997 1.00 0.00 C ATOM 818 O ASN A 55 -8.468 16.235 16.209 1.00 0.00 O ATOM 819 CB ASN A 55 -8.131 14.065 14.247 1.00 0.00 C ATOM 820 CG ASN A 55 -9.489 13.764 13.648 1.00 0.00 C ATOM 821 OD1 ASN A 55 -9.870 14.352 12.674 1.00 0.00 O ATOM 822 ND2 ASN A 55 -10.221 12.874 14.229 1.00 0.00 N ATOM 0 H ASN A 55 -5.936 14.986 14.956 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.910 15.806 13.026 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -7.378 13.432 13.777 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -8.139 13.817 15.308 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -11.147 12.656 13.861 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -9.873 12.388 15.056 1.00 0.00 H new ATOM 829 N GLY A 56 -9.365 17.290 14.472 1.00 0.00 N ATOM 830 CA GLY A 56 -10.091 18.174 15.366 1.00 0.00 C ATOM 831 C GLY A 56 -11.423 18.640 14.843 1.00 0.00 C ATOM 832 O GLY A 56 -12.310 18.987 15.627 1.00 0.00 O ATOM 0 H GLY A 56 -9.525 17.433 13.475 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.248 17.661 16.315 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.472 19.047 15.574 1.00 0.00 H new ATOM 836 N ASN A 57 -11.576 18.643 13.545 1.00 0.00 N ATOM 837 CA ASN A 57 -12.787 19.128 12.903 1.00 0.00 C ATOM 838 C ASN A 57 -13.921 18.156 13.132 1.00 0.00 C ATOM 839 O ASN A 57 -14.989 18.526 13.624 1.00 0.00 O ATOM 840 CB ASN A 57 -12.592 19.297 11.375 1.00 0.00 C ATOM 841 CG ASN A 57 -11.462 20.232 10.960 1.00 0.00 C ATOM 842 OD1 ASN A 57 -10.454 20.372 11.646 1.00 0.00 O ATOM 843 ND2 ASN A 57 -11.621 20.860 9.827 1.00 0.00 N ATOM 0 H ASN A 57 -10.866 18.309 12.893 1.00 0.00 H new ATOM 0 HA ASN A 57 -13.020 20.098 13.342 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -12.407 18.315 10.939 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -13.523 19.667 10.946 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -10.895 21.490 9.487 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -12.472 20.721 9.282 1.00 0.00 H new ATOM 850 N GLN A 58 -13.675 16.911 12.798 1.00 0.00 N ATOM 851 CA GLN A 58 -14.677 15.868 12.876 1.00 0.00 C ATOM 852 C GLN A 58 -14.004 14.503 13.006 1.00 0.00 C ATOM 853 O GLN A 58 -12.819 14.377 12.703 1.00 0.00 O ATOM 854 CB GLN A 58 -15.552 15.893 11.602 1.00 0.00 C ATOM 855 CG GLN A 58 -14.758 15.863 10.296 1.00 0.00 C ATOM 856 CD GLN A 58 -15.652 15.728 9.087 1.00 0.00 C ATOM 857 OE1 GLN A 58 -16.117 16.717 8.522 1.00 0.00 O ATOM 858 NE2 GLN A 58 -15.897 14.515 8.672 1.00 0.00 N ATOM 0 H GLN A 58 -12.768 16.588 12.462 1.00 0.00 H new ATOM 0 HA GLN A 58 -15.302 16.042 13.752 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -16.229 15.039 11.623 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -16.171 16.790 11.617 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -14.169 16.776 10.210 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -14.054 15.031 10.320 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -15.495 13.717 9.164 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -16.490 14.365 7.856 1.00 0.00 H new ATOM 867 N PRO A 59 -14.729 13.476 13.498 1.00 0.00 N ATOM 868 CA PRO A 59 -14.222 12.106 13.532 1.00 0.00 C ATOM 869 C PRO A 59 -14.084 11.559 12.107 1.00 0.00 C ATOM 870 O PRO A 59 -15.010 11.684 11.280 1.00 0.00 O ATOM 871 CB PRO A 59 -15.306 11.324 14.299 1.00 0.00 C ATOM 872 CG PRO A 59 -16.134 12.363 14.973 1.00 0.00 C ATOM 873 CD PRO A 59 -16.082 13.565 14.082 1.00 0.00 C ATOM 0 HA PRO A 59 -13.239 12.031 13.998 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -15.908 10.719 13.622 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -14.861 10.643 15.025 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -17.160 12.020 15.107 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -15.743 12.593 15.964 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -16.857 13.535 13.316 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -16.222 14.490 14.641 1.00 0.00 H new ATOM 881 N ILE A 60 -12.956 10.980 11.811 1.00 0.00 N ATOM 882 CA ILE A 60 -12.694 10.498 10.480 1.00 0.00 C ATOM 883 C ILE A 60 -12.577 8.991 10.508 1.00 0.00 C ATOM 884 O ILE A 60 -11.893 8.438 11.369 1.00 0.00 O ATOM 885 CB ILE A 60 -11.381 11.096 9.897 1.00 0.00 C ATOM 886 CG1 ILE A 60 -11.379 12.629 10.005 1.00 0.00 C ATOM 887 CG2 ILE A 60 -11.220 10.681 8.436 1.00 0.00 C ATOM 888 CD1 ILE A 60 -10.107 13.278 9.496 1.00 0.00 C ATOM 0 H ILE A 60 -12.197 10.828 12.476 1.00 0.00 H new ATOM 0 HA ILE A 60 -13.522 10.809 9.843 1.00 0.00 H new ATOM 0 HB ILE A 60 -10.544 10.708 10.478 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -12.226 13.024 9.445 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -11.527 12.910 11.048 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -10.298 11.104 8.037 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -11.179 9.594 8.369 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -12.068 11.048 7.858 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -10.182 14.360 9.605 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -9.257 12.913 10.072 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -9.967 13.028 8.444 1.00 0.00 H new ATOM 900 N VAL A 61 -13.251 8.330 9.599 1.00 0.00 N ATOM 901 CA VAL A 61 -13.168 6.898 9.517 1.00 0.00 C ATOM 902 C VAL A 61 -11.833 6.506 8.871 1.00 0.00 C ATOM 903 O VAL A 61 -11.424 7.078 7.851 1.00 0.00 O ATOM 904 CB VAL A 61 -14.386 6.278 8.754 1.00 0.00 C ATOM 905 CG1 VAL A 61 -14.461 6.747 7.306 1.00 0.00 C ATOM 906 CG2 VAL A 61 -14.371 4.762 8.834 1.00 0.00 C ATOM 0 H VAL A 61 -13.862 8.763 8.907 1.00 0.00 H new ATOM 0 HA VAL A 61 -13.209 6.489 10.526 1.00 0.00 H new ATOM 0 HB VAL A 61 -15.286 6.637 9.253 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -15.322 6.289 6.819 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -14.563 7.832 7.280 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -13.551 6.456 6.782 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -15.229 4.361 8.295 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -13.452 4.383 8.387 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -14.421 4.452 9.878 1.00 0.00 H new ATOM 916 N THR A 62 -11.149 5.591 9.478 1.00 0.00 N ATOM 917 CA THR A 62 -9.863 5.189 9.005 1.00 0.00 C ATOM 918 C THR A 62 -9.952 3.849 8.292 1.00 0.00 C ATOM 919 O THR A 62 -10.898 3.075 8.510 1.00 0.00 O ATOM 920 CB THR A 62 -8.845 5.125 10.160 1.00 0.00 C ATOM 921 OG1 THR A 62 -9.344 4.288 11.213 1.00 0.00 O ATOM 922 CG2 THR A 62 -8.569 6.514 10.711 1.00 0.00 C ATOM 0 H THR A 62 -11.465 5.101 10.315 1.00 0.00 H new ATOM 0 HA THR A 62 -9.515 5.936 8.292 1.00 0.00 H new ATOM 0 HB THR A 62 -7.917 4.707 9.770 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.689 4.253 11.941 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.848 6.446 11.525 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.164 7.145 9.920 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.497 6.949 11.083 1.00 0.00 H new ATOM 930 N ARG A 63 -9.001 3.588 7.449 1.00 0.00 N ATOM 931 CA ARG A 63 -8.958 2.370 6.693 1.00 0.00 C ATOM 932 C ARG A 63 -7.809 1.550 7.204 1.00 0.00 C ATOM 933 O ARG A 63 -6.780 2.096 7.589 1.00 0.00 O ATOM 934 CB ARG A 63 -8.779 2.677 5.214 1.00 0.00 C ATOM 935 CG ARG A 63 -9.814 3.648 4.667 1.00 0.00 C ATOM 936 CD ARG A 63 -11.234 3.122 4.766 1.00 0.00 C ATOM 937 NE ARG A 63 -12.203 4.143 4.341 1.00 0.00 N ATOM 938 CZ ARG A 63 -13.460 3.902 3.944 1.00 0.00 C ATOM 939 NH1 ARG A 63 -13.880 2.645 3.766 1.00 0.00 N ATOM 940 NH2 ARG A 63 -14.276 4.921 3.684 1.00 0.00 N ATOM 0 H ARG A 63 -8.223 4.221 7.263 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.891 1.818 6.808 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.784 3.092 5.055 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -8.831 1.746 4.649 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.743 4.590 5.211 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.585 3.864 3.624 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.341 2.233 4.145 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -11.444 2.821 5.792 1.00 0.00 H new ATOM 0 HE ARG A 63 -11.893 5.115 4.349 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -13.243 1.866 3.932 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -14.837 2.465 3.464 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -13.944 5.880 3.787 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -15.234 4.743 3.381 1.00 0.00 H new ATOM 954 N ILE A 64 -7.975 0.269 7.237 1.00 0.00 N ATOM 955 CA ILE A 64 -6.969 -0.583 7.809 1.00 0.00 C ATOM 956 C ILE A 64 -6.257 -1.407 6.726 1.00 0.00 C ATOM 957 O ILE A 64 -6.890 -1.911 5.800 1.00 0.00 O ATOM 958 CB ILE A 64 -7.551 -1.541 8.936 1.00 0.00 C ATOM 959 CG1 ILE A 64 -8.195 -0.765 10.126 1.00 0.00 C ATOM 960 CG2 ILE A 64 -6.470 -2.470 9.477 1.00 0.00 C ATOM 961 CD1 ILE A 64 -9.542 -0.117 9.845 1.00 0.00 C ATOM 0 H ILE A 64 -8.796 -0.217 6.876 1.00 0.00 H new ATOM 0 HA ILE A 64 -6.242 0.076 8.284 1.00 0.00 H new ATOM 0 HB ILE A 64 -8.336 -2.122 8.452 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -8.312 -1.454 10.963 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.500 0.011 10.447 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -6.896 -3.114 10.246 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -6.078 -3.084 8.666 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -5.662 -1.877 9.906 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -9.894 0.394 10.741 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -9.437 0.604 9.034 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -10.262 -0.884 9.558 1.00 0.00 H new ATOM 973 N GLY A 65 -4.940 -1.448 6.819 1.00 0.00 N ATOM 974 CA GLY A 65 -4.097 -2.311 6.003 1.00 0.00 C ATOM 975 C GLY A 65 -3.862 -1.889 4.559 1.00 0.00 C ATOM 976 O GLY A 65 -2.864 -2.313 3.950 1.00 0.00 O ATOM 0 H GLY A 65 -4.414 -0.872 7.476 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.127 -2.396 6.492 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.539 -3.307 5.996 1.00 0.00 H new ATOM 980 N SER A 66 -4.726 -1.090 3.987 1.00 0.00 N ATOM 981 CA SER A 66 -4.566 -0.687 2.604 1.00 0.00 C ATOM 982 C SER A 66 -5.211 0.667 2.340 1.00 0.00 C ATOM 983 O SER A 66 -6.277 0.957 2.881 1.00 0.00 O ATOM 984 CB SER A 66 -5.207 -1.735 1.677 1.00 0.00 C ATOM 985 OG SER A 66 -4.655 -3.026 1.897 1.00 0.00 O ATOM 0 H SER A 66 -5.547 -0.704 4.452 1.00 0.00 H new ATOM 0 HA SER A 66 -3.498 -0.608 2.403 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.283 -1.764 1.847 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.056 -1.445 0.637 1.00 0.00 H new ATOM 0 HG SER A 66 -3.963 -3.205 1.226 1.00 0.00 H new ATOM 991 N PRO A 67 -4.552 1.532 1.559 1.00 0.00 N ATOM 992 CA PRO A 67 -5.150 2.764 1.110 1.00 0.00 C ATOM 993 C PRO A 67 -5.893 2.563 -0.235 1.00 0.00 C ATOM 994 O PRO A 67 -5.294 2.192 -1.249 1.00 0.00 O ATOM 995 CB PRO A 67 -3.950 3.698 0.942 1.00 0.00 C ATOM 996 CG PRO A 67 -2.761 2.802 0.714 1.00 0.00 C ATOM 997 CD PRO A 67 -3.158 1.398 1.102 1.00 0.00 C ATOM 0 HA PRO A 67 -5.897 3.152 1.802 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -4.096 4.375 0.100 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.809 4.317 1.828 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -2.452 2.836 -0.331 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.911 3.137 1.309 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.080 0.714 0.257 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -2.516 1.006 1.891 1.00 0.00 H new ATOM 1005 N PHE A 68 -7.172 2.840 -0.214 1.00 0.00 N ATOM 1006 CA PHE A 68 -8.110 2.716 -1.329 1.00 0.00 C ATOM 1007 C PHE A 68 -9.340 3.452 -0.910 1.00 0.00 C ATOM 1008 O PHE A 68 -9.490 3.757 0.280 1.00 0.00 O ATOM 1009 CB PHE A 68 -8.551 1.250 -1.624 1.00 0.00 C ATOM 1010 CG PHE A 68 -7.531 0.327 -2.212 1.00 0.00 C ATOM 1011 CD1 PHE A 68 -7.133 0.469 -3.529 1.00 0.00 C ATOM 1012 CD2 PHE A 68 -6.997 -0.705 -1.460 1.00 0.00 C ATOM 1013 CE1 PHE A 68 -6.221 -0.396 -4.087 1.00 0.00 C ATOM 1014 CE2 PHE A 68 -6.080 -1.570 -2.013 1.00 0.00 C ATOM 1015 CZ PHE A 68 -5.692 -1.415 -3.330 1.00 0.00 C ATOM 0 H PHE A 68 -7.627 3.181 0.632 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.621 3.097 -2.226 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -8.904 0.811 -0.691 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -9.404 1.285 -2.302 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.544 1.269 -4.127 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.302 -0.833 -0.432 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.921 -0.275 -5.117 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.664 -2.369 -1.418 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.973 -2.094 -3.765 1.00 0.00 H new ATOM 1025 N LEU A 69 -10.222 3.722 -1.830 1.00 0.00 N ATOM 1026 CA LEU A 69 -11.482 4.361 -1.495 1.00 0.00 C ATOM 1027 C LEU A 69 -12.375 3.363 -0.767 1.00 0.00 C ATOM 1028 O LEU A 69 -12.985 3.674 0.249 1.00 0.00 O ATOM 1029 CB LEU A 69 -12.175 4.853 -2.761 1.00 0.00 C ATOM 1030 CG LEU A 69 -11.400 5.868 -3.600 1.00 0.00 C ATOM 1031 CD1 LEU A 69 -12.153 6.174 -4.876 1.00 0.00 C ATOM 1032 CD2 LEU A 69 -11.149 7.146 -2.806 1.00 0.00 C ATOM 0 H LEU A 69 -10.100 3.513 -2.821 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.291 5.217 -0.848 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.399 3.989 -3.387 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.129 5.298 -2.479 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.434 5.436 -3.860 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.591 6.898 -5.465 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.280 5.258 -5.452 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.132 6.587 -4.631 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.596 7.855 -3.422 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -12.102 7.586 -2.514 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.569 6.912 -1.913 1.00 0.00 H new ATOM 1044 N ASN A 70 -12.359 2.144 -1.262 1.00 0.00 N ATOM 1045 CA ASN A 70 -13.175 1.032 -0.759 1.00 0.00 C ATOM 1046 C ASN A 70 -12.365 0.157 0.200 1.00 0.00 C ATOM 1047 O ASN A 70 -12.667 -1.035 0.401 1.00 0.00 O ATOM 1048 CB ASN A 70 -13.683 0.181 -1.941 1.00 0.00 C ATOM 1049 CG ASN A 70 -12.564 -0.408 -2.815 1.00 0.00 C ATOM 1050 OD1 ASN A 70 -11.490 0.182 -2.973 1.00 0.00 O ATOM 1051 ND2 ASN A 70 -12.807 -1.556 -3.381 1.00 0.00 N ATOM 0 H ASN A 70 -11.765 1.880 -2.048 1.00 0.00 H new ATOM 0 HA ASN A 70 -14.026 1.444 -0.216 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -14.293 -0.634 -1.552 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -14.332 0.795 -2.565 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -12.101 -1.992 -3.974 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -13.704 -2.019 -3.231 1.00 0.00 H new ATOM 1058 N ALA A 71 -11.369 0.763 0.809 1.00 0.00 N ATOM 1059 CA ALA A 71 -10.464 0.092 1.733 1.00 0.00 C ATOM 1060 C ALA A 71 -11.196 -0.371 3.011 1.00 0.00 C ATOM 1061 O ALA A 71 -12.228 0.224 3.388 1.00 0.00 O ATOM 1062 CB ALA A 71 -9.324 1.024 2.086 1.00 0.00 C ATOM 0 H ALA A 71 -11.157 1.752 0.678 1.00 0.00 H new ATOM 0 HA ALA A 71 -10.071 -0.799 1.243 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.646 0.524 2.777 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.783 1.296 1.180 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.722 1.924 2.555 1.00 0.00 H new ATOM 1068 N PRO A 72 -10.678 -1.446 3.679 1.00 0.00 N ATOM 1069 CA PRO A 72 -11.266 -2.024 4.908 1.00 0.00 C ATOM 1070 C PRO A 72 -11.627 -0.988 5.974 1.00 0.00 C ATOM 1071 O PRO A 72 -10.808 -0.141 6.353 1.00 0.00 O ATOM 1072 CB PRO A 72 -10.163 -2.939 5.432 1.00 0.00 C ATOM 1073 CG PRO A 72 -9.431 -3.367 4.218 1.00 0.00 C ATOM 1074 CD PRO A 72 -9.468 -2.203 3.268 1.00 0.00 C ATOM 0 HA PRO A 72 -12.209 -2.523 4.684 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -9.508 -2.414 6.127 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -10.577 -3.793 5.968 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -8.403 -3.639 4.460 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -9.897 -4.246 3.773 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -8.568 -1.593 3.348 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -9.537 -2.535 2.232 1.00 0.00 H new ATOM 1082 N VAL A 73 -12.845 -1.073 6.433 1.00 0.00 N ATOM 1083 CA VAL A 73 -13.390 -0.184 7.433 1.00 0.00 C ATOM 1084 C VAL A 73 -13.402 -0.935 8.790 1.00 0.00 C ATOM 1085 O VAL A 73 -13.117 -2.144 8.831 1.00 0.00 O ATOM 1086 CB VAL A 73 -14.828 0.269 6.995 1.00 0.00 C ATOM 1087 CG1 VAL A 73 -15.813 -0.880 6.996 1.00 0.00 C ATOM 1088 CG2 VAL A 73 -15.355 1.447 7.799 1.00 0.00 C ATOM 0 H VAL A 73 -13.508 -1.781 6.116 1.00 0.00 H new ATOM 0 HA VAL A 73 -12.784 0.716 7.540 1.00 0.00 H new ATOM 0 HB VAL A 73 -14.724 0.616 5.967 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -16.794 -0.519 6.687 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -15.475 -1.650 6.303 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -15.881 -1.300 8.000 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -16.352 1.711 7.447 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -15.402 1.176 8.854 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -14.689 2.300 7.674 1.00 0.00 H new ATOM 1098 N GLY A 74 -13.731 -0.256 9.866 1.00 0.00 N ATOM 1099 CA GLY A 74 -13.700 -0.874 11.169 1.00 0.00 C ATOM 1100 C GLY A 74 -12.737 -0.176 12.092 1.00 0.00 C ATOM 1101 O GLY A 74 -12.153 -0.789 12.973 1.00 0.00 O ATOM 0 H GLY A 74 -14.022 0.722 9.863 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -14.699 -0.856 11.604 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -13.414 -1.921 11.069 1.00 0.00 H new ATOM 1105 N GLY A 75 -12.548 1.102 11.858 1.00 0.00 N ATOM 1106 CA GLY A 75 -11.712 1.915 12.690 1.00 0.00 C ATOM 1107 C GLY A 75 -12.029 3.368 12.469 1.00 0.00 C ATOM 1108 O GLY A 75 -12.122 3.807 11.328 1.00 0.00 O ATOM 0 H GLY A 75 -12.975 1.603 11.079 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.864 1.656 13.738 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.663 1.724 12.464 1.00 0.00 H new ATOM 1112 N ASN A 76 -12.220 4.105 13.524 1.00 0.00 N ATOM 1113 CA ASN A 76 -12.541 5.527 13.427 1.00 0.00 C ATOM 1114 C ASN A 76 -11.593 6.339 14.286 1.00 0.00 C ATOM 1115 O ASN A 76 -11.216 5.909 15.375 1.00 0.00 O ATOM 1116 CB ASN A 76 -14.009 5.781 13.828 1.00 0.00 C ATOM 1117 CG ASN A 76 -14.399 7.261 13.897 1.00 0.00 C ATOM 1118 OD1 ASN A 76 -14.365 7.829 15.079 1.00 0.00 O flip ATOM 1119 ND2 ASN A 76 -14.787 7.863 12.901 1.00 0.00 N flip ATOM 0 H ASN A 76 -12.161 3.753 14.480 1.00 0.00 H new ATOM 0 HA ASN A 76 -12.418 5.843 12.391 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -14.660 5.279 13.113 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -14.192 5.324 14.801 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -14.802 7.394 11.995 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -15.095 8.832 12.979 1.00 0.00 H new ATOM 1126 N LEU A 77 -11.199 7.478 13.796 1.00 0.00 N ATOM 1127 CA LEU A 77 -10.318 8.365 14.503 1.00 0.00 C ATOM 1128 C LEU A 77 -11.149 9.493 15.129 1.00 0.00 C ATOM 1129 O LEU A 77 -11.759 10.294 14.404 1.00 0.00 O ATOM 1130 CB LEU A 77 -9.283 8.947 13.527 1.00 0.00 C ATOM 1131 CG LEU A 77 -8.195 9.840 14.127 1.00 0.00 C ATOM 1132 CD1 LEU A 77 -7.333 9.053 15.098 1.00 0.00 C ATOM 1133 CD2 LEU A 77 -7.340 10.446 13.024 1.00 0.00 C ATOM 0 H LEU A 77 -11.484 7.823 12.880 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.792 7.823 15.289 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.797 8.118 13.013 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.816 9.523 12.770 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.676 10.649 14.676 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.565 9.705 15.514 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.955 8.665 15.904 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.859 8.223 14.574 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.570 11.079 13.466 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.868 9.649 12.450 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -7.968 11.045 12.365 1.00 0.00 H new ATOM 1145 N PRO A 78 -11.228 9.551 16.470 1.00 0.00 N ATOM 1146 CA PRO A 78 -11.978 10.599 17.168 1.00 0.00 C ATOM 1147 C PRO A 78 -11.244 11.945 17.114 1.00 0.00 C ATOM 1148 O PRO A 78 -10.011 11.993 16.901 1.00 0.00 O ATOM 1149 CB PRO A 78 -12.048 10.082 18.609 1.00 0.00 C ATOM 1150 CG PRO A 78 -10.845 9.215 18.764 1.00 0.00 C ATOM 1151 CD PRO A 78 -10.595 8.599 17.415 1.00 0.00 C ATOM 0 HA PRO A 78 -12.957 10.780 16.724 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -12.037 10.904 19.325 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -12.965 9.520 18.783 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -9.984 9.798 19.091 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -11.014 8.446 19.518 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -9.529 8.488 17.217 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -11.038 7.606 17.340 1.00 0.00 H new ATOM 1159 N ALA A 79 -11.976 13.027 17.267 1.00 0.00 N ATOM 1160 CA ALA A 79 -11.387 14.347 17.239 1.00 0.00 C ATOM 1161 C ALA A 79 -10.659 14.608 18.544 1.00 0.00 C ATOM 1162 O ALA A 79 -11.106 14.183 19.610 1.00 0.00 O ATOM 1163 CB ALA A 79 -12.442 15.415 16.979 1.00 0.00 C ATOM 0 H ALA A 79 -12.985 13.017 17.413 1.00 0.00 H new ATOM 0 HA ALA A 79 -10.670 14.393 16.419 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.969 16.397 16.964 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -12.921 15.227 16.018 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -13.192 15.386 17.769 1.00 0.00 H new ATOM 1169 N GLY A 80 -9.548 15.282 18.455 1.00 0.00 N ATOM 1170 CA GLY A 80 -8.727 15.544 19.601 1.00 0.00 C ATOM 1171 C GLY A 80 -7.464 14.722 19.543 1.00 0.00 C ATOM 1172 O GLY A 80 -6.439 15.085 20.128 1.00 0.00 O ATOM 0 H GLY A 80 -9.185 15.666 17.582 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.477 16.604 19.642 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.278 15.311 20.512 1.00 0.00 H new ATOM 1176 N ALA A 81 -7.524 13.637 18.792 1.00 0.00 N ATOM 1177 CA ALA A 81 -6.407 12.732 18.651 1.00 0.00 C ATOM 1178 C ALA A 81 -5.285 13.361 17.836 1.00 0.00 C ATOM 1179 O ALA A 81 -5.502 13.874 16.726 1.00 0.00 O ATOM 1180 CB ALA A 81 -6.853 11.421 18.027 1.00 0.00 C ATOM 0 H ALA A 81 -8.352 13.362 18.263 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.019 12.525 19.648 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -5.996 10.754 17.930 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.606 10.954 18.661 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.277 11.613 17.041 1.00 0.00 H new ATOM 1186 N THR A 82 -4.113 13.349 18.403 1.00 0.00 N ATOM 1187 CA THR A 82 -2.934 13.851 17.764 1.00 0.00 C ATOM 1188 C THR A 82 -2.171 12.654 17.175 1.00 0.00 C ATOM 1189 O THR A 82 -1.656 11.803 17.916 1.00 0.00 O ATOM 1190 CB THR A 82 -2.080 14.585 18.806 1.00 0.00 C ATOM 1191 OG1 THR A 82 -2.943 15.492 19.533 1.00 0.00 O ATOM 1192 CG2 THR A 82 -0.972 15.385 18.134 1.00 0.00 C ATOM 0 H THR A 82 -3.949 12.983 19.341 1.00 0.00 H new ATOM 0 HA THR A 82 -3.181 14.551 16.966 1.00 0.00 H new ATOM 0 HB THR A 82 -1.620 13.857 19.474 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.419 15.972 20.207 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.380 15.896 18.893 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.330 14.711 17.566 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.412 16.121 17.460 1.00 0.00 H new ATOM 1200 N ILE A 83 -2.143 12.565 15.872 1.00 0.00 N ATOM 1201 CA ILE A 83 -1.568 11.417 15.202 1.00 0.00 C ATOM 1202 C ILE A 83 -0.287 11.789 14.470 1.00 0.00 C ATOM 1203 O ILE A 83 -0.244 12.777 13.742 1.00 0.00 O ATOM 1204 CB ILE A 83 -2.591 10.797 14.197 1.00 0.00 C ATOM 1205 CG1 ILE A 83 -3.869 10.329 14.930 1.00 0.00 C ATOM 1206 CG2 ILE A 83 -1.978 9.650 13.392 1.00 0.00 C ATOM 1207 CD1 ILE A 83 -3.638 9.266 15.997 1.00 0.00 C ATOM 0 H ILE A 83 -2.514 13.278 15.244 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.326 10.678 15.966 1.00 0.00 H new ATOM 0 HB ILE A 83 -2.864 11.581 13.491 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.342 11.194 15.395 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.571 9.939 14.194 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.723 9.248 12.706 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.124 10.020 12.824 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.649 8.864 14.071 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.590 9.000 16.457 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.196 8.381 15.539 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.963 9.656 16.759 1.00 0.00 H new ATOM 1219 N VAL A 84 0.741 11.015 14.679 1.00 0.00 N ATOM 1220 CA VAL A 84 1.985 11.194 13.993 1.00 0.00 C ATOM 1221 C VAL A 84 2.169 10.055 12.984 1.00 0.00 C ATOM 1222 O VAL A 84 2.291 8.872 13.341 1.00 0.00 O ATOM 1223 CB VAL A 84 3.211 11.339 14.971 1.00 0.00 C ATOM 1224 CG1 VAL A 84 3.353 10.150 15.921 1.00 0.00 C ATOM 1225 CG2 VAL A 84 4.507 11.579 14.200 1.00 0.00 C ATOM 0 H VAL A 84 0.737 10.236 15.337 1.00 0.00 H new ATOM 0 HA VAL A 84 1.949 12.141 13.454 1.00 0.00 H new ATOM 0 HB VAL A 84 3.011 12.214 15.590 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.214 10.305 16.571 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.452 10.059 16.528 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.494 9.237 15.343 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.335 11.675 14.902 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.693 10.739 13.531 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.418 12.495 13.616 1.00 0.00 H new ATOM 1235 N TYR A 85 2.128 10.398 11.735 1.00 0.00 N ATOM 1236 CA TYR A 85 2.234 9.419 10.696 1.00 0.00 C ATOM 1237 C TYR A 85 3.645 9.347 10.188 1.00 0.00 C ATOM 1238 O TYR A 85 4.364 10.345 10.222 1.00 0.00 O ATOM 1239 CB TYR A 85 1.219 9.667 9.571 1.00 0.00 C ATOM 1240 CG TYR A 85 1.270 11.037 8.909 1.00 0.00 C ATOM 1241 CD1 TYR A 85 0.522 12.104 9.406 1.00 0.00 C ATOM 1242 CD2 TYR A 85 2.027 11.250 7.765 1.00 0.00 C ATOM 1243 CE1 TYR A 85 0.530 13.334 8.778 1.00 0.00 C ATOM 1244 CE2 TYR A 85 2.042 12.481 7.144 1.00 0.00 C ATOM 1245 CZ TYR A 85 1.294 13.512 7.647 1.00 0.00 C ATOM 1246 OH TYR A 85 1.301 14.728 6.999 1.00 0.00 O ATOM 0 H TYR A 85 2.021 11.358 11.407 1.00 0.00 H new ATOM 0 HA TYR A 85 1.984 8.445 11.118 1.00 0.00 H new ATOM 0 HB2 TYR A 85 1.368 8.909 8.802 1.00 0.00 H new ATOM 0 HB3 TYR A 85 0.217 9.519 9.975 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -0.073 11.966 10.297 1.00 0.00 H new ATOM 0 HD2 TYR A 85 2.612 10.440 7.356 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -0.059 14.150 9.171 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.644 12.632 6.260 1.00 0.00 H new ATOM 0 HH TYR A 85 1.894 14.680 6.220 1.00 0.00 H new ATOM 1256 N ASP A 86 4.040 8.179 9.746 1.00 0.00 N ATOM 1257 CA ASP A 86 5.410 7.939 9.299 1.00 0.00 C ATOM 1258 C ASP A 86 5.462 7.671 7.810 1.00 0.00 C ATOM 1259 O ASP A 86 6.531 7.646 7.207 1.00 0.00 O ATOM 1260 CB ASP A 86 6.033 6.744 10.060 1.00 0.00 C ATOM 1261 CG ASP A 86 5.316 5.415 9.829 1.00 0.00 C ATOM 1262 OD1 ASP A 86 4.357 5.101 10.571 1.00 0.00 O ATOM 1263 OD2 ASP A 86 5.718 4.641 8.916 1.00 0.00 O ATOM 0 H ASP A 86 3.431 7.363 9.682 1.00 0.00 H new ATOM 0 HA ASP A 86 5.985 8.840 9.512 1.00 0.00 H new ATOM 0 HB2 ASP A 86 7.075 6.639 9.759 1.00 0.00 H new ATOM 0 HB3 ASP A 86 6.030 6.965 11.127 1.00 0.00 H new ATOM 1268 N GLU A 87 4.319 7.497 7.219 1.00 0.00 N ATOM 1269 CA GLU A 87 4.233 7.146 5.832 1.00 0.00 C ATOM 1270 C GLU A 87 3.171 8.001 5.165 1.00 0.00 C ATOM 1271 O GLU A 87 2.064 8.140 5.678 1.00 0.00 O ATOM 1272 CB GLU A 87 3.909 5.656 5.759 1.00 0.00 C ATOM 1273 CG GLU A 87 3.740 5.038 4.392 1.00 0.00 C ATOM 1274 CD GLU A 87 3.502 3.544 4.510 1.00 0.00 C ATOM 1275 OE1 GLU A 87 2.656 3.123 5.348 1.00 0.00 O ATOM 1276 OE2 GLU A 87 4.147 2.761 3.799 1.00 0.00 O ATOM 0 H GLU A 87 3.417 7.594 7.685 1.00 0.00 H new ATOM 0 HA GLU A 87 5.169 7.330 5.304 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.702 5.115 6.275 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.990 5.485 6.320 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.902 5.506 3.876 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.629 5.224 3.790 1.00 0.00 H new ATOM 1283 N VAL A 88 3.527 8.617 4.074 1.00 0.00 N ATOM 1284 CA VAL A 88 2.613 9.456 3.330 1.00 0.00 C ATOM 1285 C VAL A 88 2.255 8.716 2.062 1.00 0.00 C ATOM 1286 O VAL A 88 3.148 8.276 1.353 1.00 0.00 O ATOM 1287 CB VAL A 88 3.284 10.799 2.944 1.00 0.00 C ATOM 1288 CG1 VAL A 88 2.266 11.780 2.407 1.00 0.00 C ATOM 1289 CG2 VAL A 88 4.042 11.389 4.115 1.00 0.00 C ATOM 0 H VAL A 88 4.461 8.555 3.669 1.00 0.00 H new ATOM 0 HA VAL A 88 1.735 9.672 3.939 1.00 0.00 H new ATOM 0 HB VAL A 88 4.004 10.595 2.151 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.764 12.713 2.144 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.789 11.361 1.521 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.510 11.974 3.168 1.00 0.00 H new ATOM 0 HG21 VAL A 88 4.502 12.330 3.814 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.353 11.569 4.940 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.817 10.693 4.435 1.00 0.00 H new ATOM 1299 N CYS A 89 0.986 8.546 1.792 1.00 0.00 N ATOM 1300 CA CYS A 89 0.559 7.794 0.628 1.00 0.00 C ATOM 1301 C CYS A 89 -0.462 8.569 -0.217 1.00 0.00 C ATOM 1302 O CYS A 89 -1.332 9.219 0.314 1.00 0.00 O ATOM 1303 CB CYS A 89 -0.072 6.485 1.096 1.00 0.00 C ATOM 1304 SG CYS A 89 0.997 5.464 2.125 1.00 0.00 S ATOM 0 H CYS A 89 0.225 8.917 2.361 1.00 0.00 H new ATOM 0 HA CYS A 89 1.434 7.609 0.004 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -0.980 6.714 1.653 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -0.371 5.908 0.221 1.00 0.00 H new ATOM 0 HG CYS A 89 0.462 4.289 2.275 1.00 0.00 H new ATOM 1310 N ILE A 90 -0.331 8.504 -1.518 1.00 0.00 N ATOM 1311 CA ILE A 90 -1.319 9.080 -2.416 1.00 0.00 C ATOM 1312 C ILE A 90 -2.040 7.970 -3.170 1.00 0.00 C ATOM 1313 O ILE A 90 -1.411 7.168 -3.879 1.00 0.00 O ATOM 1314 CB ILE A 90 -0.732 10.122 -3.444 1.00 0.00 C ATOM 1315 CG1 ILE A 90 -0.230 11.391 -2.725 1.00 0.00 C ATOM 1316 CG2 ILE A 90 -1.777 10.497 -4.514 1.00 0.00 C ATOM 1317 CD1 ILE A 90 0.285 12.481 -3.666 1.00 0.00 C ATOM 0 H ILE A 90 0.455 8.055 -1.989 1.00 0.00 H new ATOM 0 HA ILE A 90 -2.011 9.635 -1.783 1.00 0.00 H new ATOM 0 HB ILE A 90 0.115 9.648 -3.940 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.042 11.800 -2.123 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.568 11.114 -2.037 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.344 11.217 -5.209 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.077 9.602 -5.059 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.649 10.938 -4.032 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.619 13.338 -3.082 1.00 0.00 H new ATOM 0 HD12 ILE A 90 1.119 12.093 -4.250 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.516 12.790 -4.338 1.00 0.00 H new ATOM 1329 N GLN A 91 -3.331 7.909 -2.978 1.00 0.00 N ATOM 1330 CA GLN A 91 -4.208 7.003 -3.680 1.00 0.00 C ATOM 1331 C GLN A 91 -5.262 7.894 -4.299 1.00 0.00 C ATOM 1332 O GLN A 91 -5.629 8.883 -3.681 1.00 0.00 O ATOM 1333 CB GLN A 91 -4.833 5.988 -2.695 1.00 0.00 C ATOM 1334 CG GLN A 91 -5.827 5.004 -3.306 1.00 0.00 C ATOM 1335 CD GLN A 91 -5.197 4.061 -4.328 1.00 0.00 C ATOM 1336 OE1 GLN A 91 -5.119 4.370 -5.519 1.00 0.00 O ATOM 1337 NE2 GLN A 91 -4.779 2.905 -3.881 1.00 0.00 N ATOM 0 H GLN A 91 -3.818 8.505 -2.309 1.00 0.00 H new ATOM 0 HA GLN A 91 -3.688 6.412 -4.433 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -4.029 5.421 -2.226 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -5.337 6.541 -1.902 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -6.279 4.414 -2.509 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -6.631 5.562 -3.785 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -4.859 2.683 -2.889 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -4.373 2.226 -4.525 1.00 0.00 H new ATOM 1346 N ALA A 92 -5.730 7.563 -5.489 1.00 0.00 N ATOM 1347 CA ALA A 92 -6.627 8.444 -6.254 1.00 0.00 C ATOM 1348 C ALA A 92 -7.840 8.932 -5.443 1.00 0.00 C ATOM 1349 O ALA A 92 -8.792 8.185 -5.185 1.00 0.00 O ATOM 1350 CB ALA A 92 -7.082 7.749 -7.525 1.00 0.00 C ATOM 0 H ALA A 92 -5.508 6.685 -5.959 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.051 9.334 -6.507 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.745 8.410 -8.083 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.214 7.505 -8.137 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.614 6.833 -7.268 1.00 0.00 H new ATOM 1356 N GLY A 93 -7.776 10.186 -5.023 1.00 0.00 N ATOM 1357 CA GLY A 93 -8.864 10.776 -4.304 1.00 0.00 C ATOM 1358 C GLY A 93 -8.436 11.446 -3.020 1.00 0.00 C ATOM 1359 O GLY A 93 -8.911 12.541 -2.687 1.00 0.00 O ATOM 0 H GLY A 93 -6.978 10.803 -5.174 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.357 11.509 -4.942 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.600 10.005 -4.076 1.00 0.00 H new ATOM 1363 N HIS A 94 -7.518 10.834 -2.301 1.00 0.00 N ATOM 1364 CA HIS A 94 -7.126 11.345 -0.985 1.00 0.00 C ATOM 1365 C HIS A 94 -5.682 11.057 -0.717 1.00 0.00 C ATOM 1366 O HIS A 94 -5.102 10.151 -1.314 1.00 0.00 O ATOM 1367 CB HIS A 94 -7.964 10.701 0.152 1.00 0.00 C ATOM 1368 CG HIS A 94 -9.427 11.011 0.119 1.00 0.00 C ATOM 1369 ND1 HIS A 94 -10.390 10.083 -0.221 1.00 0.00 N ATOM 1370 CD2 HIS A 94 -10.091 12.152 0.383 1.00 0.00 C ATOM 1371 CE1 HIS A 94 -11.575 10.648 -0.169 1.00 0.00 C ATOM 1372 NE2 HIS A 94 -11.423 11.902 0.194 1.00 0.00 N ATOM 0 H HIS A 94 -7.028 9.989 -2.594 1.00 0.00 H new ATOM 0 HA HIS A 94 -7.303 12.420 -1.000 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -7.837 9.619 0.107 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -7.561 11.030 1.110 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -10.210 9.111 -0.473 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -9.653 13.091 0.688 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -12.515 10.164 -0.388 1.00 0.00 H new ATOM 1381 N ILE A 95 -5.102 11.816 0.163 1.00 0.00 N ATOM 1382 CA ILE A 95 -3.780 11.526 0.608 1.00 0.00 C ATOM 1383 C ILE A 95 -3.954 10.756 1.907 1.00 0.00 C ATOM 1384 O ILE A 95 -4.718 11.151 2.772 1.00 0.00 O ATOM 1385 CB ILE A 95 -2.899 12.813 0.789 1.00 0.00 C ATOM 1386 CG1 ILE A 95 -1.440 12.454 1.100 1.00 0.00 C ATOM 1387 CG2 ILE A 95 -3.455 13.733 1.864 1.00 0.00 C ATOM 1388 CD1 ILE A 95 -0.515 13.656 1.149 1.00 0.00 C ATOM 0 H ILE A 95 -5.527 12.641 0.585 1.00 0.00 H new ATOM 0 HA ILE A 95 -3.236 10.942 -0.135 1.00 0.00 H new ATOM 0 HB ILE A 95 -2.928 13.349 -0.160 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -1.399 11.935 2.058 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -1.077 11.757 0.344 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -2.816 14.611 1.957 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -4.463 14.045 1.590 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -3.485 13.203 2.816 1.00 0.00 H new ATOM 0 HD11 ILE A 95 0.499 13.326 1.374 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.526 14.163 0.184 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -0.853 14.344 1.924 1.00 0.00 H new ATOM 1400 N TRP A 96 -3.337 9.654 2.001 1.00 0.00 N ATOM 1401 CA TRP A 96 -3.528 8.795 3.112 1.00 0.00 C ATOM 1402 C TRP A 96 -2.331 8.854 3.998 1.00 0.00 C ATOM 1403 O TRP A 96 -1.186 8.867 3.518 1.00 0.00 O ATOM 1404 CB TRP A 96 -3.800 7.360 2.634 1.00 0.00 C ATOM 1405 CG TRP A 96 -5.000 7.269 1.733 1.00 0.00 C ATOM 1406 CD1 TRP A 96 -5.035 7.510 0.397 1.00 0.00 C ATOM 1407 CD2 TRP A 96 -6.332 6.922 2.107 1.00 0.00 C ATOM 1408 NE1 TRP A 96 -6.311 7.358 -0.081 1.00 0.00 N ATOM 1409 CE2 TRP A 96 -7.124 6.989 0.944 1.00 0.00 C ATOM 1410 CE3 TRP A 96 -6.931 6.564 3.304 1.00 0.00 C ATOM 1411 CZ2 TRP A 96 -8.483 6.716 0.952 1.00 0.00 C ATOM 1412 CZ3 TRP A 96 -8.277 6.292 3.311 1.00 0.00 C ATOM 1413 CH2 TRP A 96 -9.041 6.368 2.145 1.00 0.00 C ATOM 0 H TRP A 96 -2.675 9.308 1.307 1.00 0.00 H new ATOM 0 HA TRP A 96 -4.396 9.124 3.683 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -2.924 6.985 2.105 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -3.950 6.715 3.500 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -4.180 7.783 -0.203 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -6.603 7.499 -1.048 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -6.351 6.500 4.213 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -9.075 6.777 0.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -8.755 6.013 4.239 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -10.097 6.146 2.190 1.00 0.00 H new ATOM 1424 N ILE A 97 -2.569 8.946 5.265 1.00 0.00 N ATOM 1425 CA ILE A 97 -1.493 8.958 6.198 1.00 0.00 C ATOM 1426 C ILE A 97 -1.349 7.580 6.807 1.00 0.00 C ATOM 1427 O ILE A 97 -2.326 6.991 7.285 1.00 0.00 O ATOM 1428 CB ILE A 97 -1.645 10.052 7.295 1.00 0.00 C ATOM 1429 CG1 ILE A 97 -2.883 9.818 8.176 1.00 0.00 C ATOM 1430 CG2 ILE A 97 -1.720 11.426 6.633 1.00 0.00 C ATOM 1431 CD1 ILE A 97 -2.954 10.717 9.400 1.00 0.00 C ATOM 0 H ILE A 97 -3.500 9.014 5.677 1.00 0.00 H new ATOM 0 HA ILE A 97 -0.584 9.217 5.656 1.00 0.00 H new ATOM 0 HB ILE A 97 -0.773 10.000 7.947 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -3.778 9.971 7.574 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.892 8.778 8.502 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -1.827 12.194 7.399 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -0.808 11.606 6.063 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -2.579 11.461 5.963 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -3.856 10.489 9.967 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -2.078 10.548 10.027 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -2.978 11.760 9.084 1.00 0.00 H new ATOM 1443 N GLY A 98 -0.167 7.051 6.732 1.00 0.00 N ATOM 1444 CA GLY A 98 0.087 5.743 7.222 1.00 0.00 C ATOM 1445 C GLY A 98 0.731 5.761 8.564 1.00 0.00 C ATOM 1446 O GLY A 98 1.781 6.404 8.763 1.00 0.00 O ATOM 0 H GLY A 98 0.645 7.518 6.328 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.850 5.189 7.278 1.00 0.00 H new ATOM 0 HA3 GLY A 98 0.729 5.212 6.520 1.00 0.00 H new ATOM 1450 N TYR A 99 0.107 5.096 9.483 1.00 0.00 N ATOM 1451 CA TYR A 99 0.603 4.953 10.816 1.00 0.00 C ATOM 1452 C TYR A 99 0.154 3.610 11.337 1.00 0.00 C ATOM 1453 O TYR A 99 -0.594 2.904 10.664 1.00 0.00 O ATOM 1454 CB TYR A 99 0.114 6.107 11.728 1.00 0.00 C ATOM 1455 CG TYR A 99 -1.397 6.252 11.877 1.00 0.00 C ATOM 1456 CD1 TYR A 99 -2.155 6.909 10.911 1.00 0.00 C ATOM 1457 CD2 TYR A 99 -2.055 5.759 12.999 1.00 0.00 C ATOM 1458 CE1 TYR A 99 -3.520 7.064 11.056 1.00 0.00 C ATOM 1459 CE2 TYR A 99 -3.419 5.917 13.154 1.00 0.00 C ATOM 1460 CZ TYR A 99 -4.146 6.569 12.180 1.00 0.00 C ATOM 1461 OH TYR A 99 -5.505 6.736 12.340 1.00 0.00 O ATOM 0 H TYR A 99 -0.784 4.625 9.324 1.00 0.00 H new ATOM 0 HA TYR A 99 1.692 5.005 10.815 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.544 5.966 12.720 1.00 0.00 H new ATOM 0 HB3 TYR A 99 0.512 7.044 11.338 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -1.667 7.305 10.033 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -1.490 5.244 13.762 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -4.093 7.570 10.293 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -3.913 5.532 14.034 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.788 6.328 13.185 1.00 0.00 H new ATOM 1471 N ASN A 100 0.613 3.228 12.477 1.00 0.00 N ATOM 1472 CA ASN A 100 0.191 1.979 13.049 1.00 0.00 C ATOM 1473 C ASN A 100 -0.472 2.281 14.347 1.00 0.00 C ATOM 1474 O ASN A 100 -0.098 3.237 15.023 1.00 0.00 O ATOM 1475 CB ASN A 100 1.371 0.998 13.258 1.00 0.00 C ATOM 1476 CG ASN A 100 2.322 1.408 14.378 1.00 0.00 C ATOM 1477 OD1 ASN A 100 3.253 2.172 14.168 1.00 0.00 O ATOM 1478 ND2 ASN A 100 2.124 0.867 15.556 1.00 0.00 N ATOM 0 H ASN A 100 1.281 3.756 13.039 1.00 0.00 H new ATOM 0 HA ASN A 100 -0.497 1.485 12.363 1.00 0.00 H new ATOM 0 HB2 ASN A 100 0.973 0.007 13.477 1.00 0.00 H new ATOM 0 HB3 ASN A 100 1.933 0.918 12.328 1.00 0.00 H new ATOM 0 HD21 ASN A 100 2.756 1.080 16.328 1.00 0.00 H new ATOM 0 HD22 ASN A 100 1.338 0.233 15.700 1.00 0.00 H new ATOM 1485 N ALA A 101 -1.461 1.532 14.687 1.00 0.00 N ATOM 1486 CA ALA A 101 -2.124 1.738 15.934 1.00 0.00 C ATOM 1487 C ALA A 101 -1.501 0.824 16.969 1.00 0.00 C ATOM 1488 O ALA A 101 -0.726 -0.083 16.605 1.00 0.00 O ATOM 1489 CB ALA A 101 -3.612 1.499 15.784 1.00 0.00 C ATOM 0 H ALA A 101 -1.832 0.769 14.121 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.002 2.770 16.264 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.105 1.660 16.743 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -4.019 2.191 15.046 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.785 0.474 15.455 1.00 0.00 H new ATOM 1495 N TYR A 102 -1.841 1.003 18.236 1.00 0.00 N ATOM 1496 CA TYR A 102 -1.221 0.206 19.292 1.00 0.00 C ATOM 1497 C TYR A 102 -1.737 -1.229 19.290 1.00 0.00 C ATOM 1498 O TYR A 102 -1.195 -2.105 19.976 1.00 0.00 O ATOM 1499 CB TYR A 102 -1.327 0.869 20.686 1.00 0.00 C ATOM 1500 CG TYR A 102 -2.732 1.151 21.184 1.00 0.00 C ATOM 1501 CD1 TYR A 102 -3.451 0.190 21.887 1.00 0.00 C ATOM 1502 CD2 TYR A 102 -3.329 2.387 20.973 1.00 0.00 C ATOM 1503 CE1 TYR A 102 -4.719 0.451 22.353 1.00 0.00 C ATOM 1504 CE2 TYR A 102 -4.600 2.653 21.437 1.00 0.00 C ATOM 1505 CZ TYR A 102 -5.289 1.683 22.127 1.00 0.00 C ATOM 1506 OH TYR A 102 -6.558 1.943 22.589 1.00 0.00 O ATOM 0 H TYR A 102 -2.531 1.681 18.559 1.00 0.00 H new ATOM 0 HA TYR A 102 -0.156 0.164 19.065 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -0.828 0.226 21.411 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -0.776 1.809 20.662 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -3.007 -0.777 22.070 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -2.789 3.153 20.436 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -5.265 -0.308 22.894 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -5.052 3.618 21.260 1.00 0.00 H new ATOM 0 HH TYR A 102 -6.813 2.858 22.348 1.00 0.00 H new ATOM 1516 N ASN A 103 -2.776 -1.476 18.504 1.00 0.00 N ATOM 1517 CA ASN A 103 -3.288 -2.829 18.324 1.00 0.00 C ATOM 1518 C ASN A 103 -2.312 -3.638 17.457 1.00 0.00 C ATOM 1519 O ASN A 103 -2.279 -4.861 17.517 1.00 0.00 O ATOM 1520 CB ASN A 103 -4.676 -2.784 17.654 1.00 0.00 C ATOM 1521 CG ASN A 103 -5.285 -4.162 17.412 1.00 0.00 C ATOM 1522 OD1 ASN A 103 -5.079 -4.777 16.361 1.00 0.00 O ATOM 1523 ND2 ASN A 103 -6.037 -4.646 18.368 1.00 0.00 N ATOM 0 H ASN A 103 -3.280 -0.760 17.982 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.384 -3.308 19.298 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -5.353 -2.202 18.279 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -4.593 -2.261 16.701 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -6.476 -5.560 18.258 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -6.184 -4.109 19.222 1.00 0.00 H new ATOM 1530 N GLY A 104 -1.418 -2.934 16.769 1.00 0.00 N ATOM 1531 CA GLY A 104 -0.439 -3.591 15.920 1.00 0.00 C ATOM 1532 C GLY A 104 -0.858 -3.589 14.468 1.00 0.00 C ATOM 1533 O GLY A 104 -0.191 -4.173 13.614 1.00 0.00 O ATOM 0 H GLY A 104 -1.354 -1.916 16.784 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.523 -3.089 16.020 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.299 -4.619 16.256 1.00 0.00 H new ATOM 1537 N ASN A 105 -1.955 -2.945 14.191 1.00 0.00 N ATOM 1538 CA ASN A 105 -2.483 -2.870 12.848 1.00 0.00 C ATOM 1539 C ASN A 105 -2.049 -1.584 12.164 1.00 0.00 C ATOM 1540 O ASN A 105 -1.886 -0.539 12.814 1.00 0.00 O ATOM 1541 CB ASN A 105 -4.026 -3.013 12.833 1.00 0.00 C ATOM 1542 CG ASN A 105 -4.773 -1.954 13.646 1.00 0.00 C ATOM 1543 OD1 ASN A 105 -4.265 -1.421 14.639 1.00 0.00 O ATOM 1544 ND2 ASN A 105 -5.994 -1.668 13.252 1.00 0.00 N ATOM 0 H ASN A 105 -2.514 -2.454 14.888 1.00 0.00 H new ATOM 0 HA ASN A 105 -2.071 -3.709 12.287 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -4.371 -2.969 11.800 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -4.290 -3.999 13.216 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -6.551 -0.989 13.770 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -6.384 -2.125 12.428 1.00 0.00 H new ATOM 1551 N ARG A 106 -1.819 -1.670 10.873 1.00 0.00 N ATOM 1552 CA ARG A 106 -1.418 -0.524 10.084 1.00 0.00 C ATOM 1553 C ARG A 106 -2.688 0.212 9.636 1.00 0.00 C ATOM 1554 O ARG A 106 -3.557 -0.378 8.992 1.00 0.00 O ATOM 1555 CB ARG A 106 -0.605 -0.998 8.870 1.00 0.00 C ATOM 1556 CG ARG A 106 0.127 0.105 8.112 1.00 0.00 C ATOM 1557 CD ARG A 106 1.212 0.754 8.970 1.00 0.00 C ATOM 1558 NE ARG A 106 1.961 1.762 8.223 1.00 0.00 N ATOM 1559 CZ ARG A 106 2.816 2.654 8.739 1.00 0.00 C ATOM 1560 NH1 ARG A 106 3.109 2.677 10.037 1.00 0.00 N ATOM 1561 NH2 ARG A 106 3.406 3.495 7.943 1.00 0.00 N ATOM 0 H ARG A 106 -1.904 -2.535 10.340 1.00 0.00 H new ATOM 0 HA ARG A 106 -0.792 0.151 10.668 1.00 0.00 H new ATOM 0 HB2 ARG A 106 0.126 -1.733 9.206 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -1.276 -1.509 8.179 1.00 0.00 H new ATOM 0 HG2 ARG A 106 0.576 -0.310 7.209 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -0.588 0.864 7.793 1.00 0.00 H new ATOM 0 HD2 ARG A 106 0.756 1.215 9.846 1.00 0.00 H new ATOM 0 HD3 ARG A 106 1.896 -0.013 9.333 1.00 0.00 H new ATOM 0 HE ARG A 106 1.819 1.789 7.213 1.00 0.00 H new ATOM 0 HH11 ARG A 106 2.678 2.002 10.669 1.00 0.00 H new ATOM 0 HH12 ARG A 106 3.765 3.369 10.400 1.00 0.00 H new ATOM 0 HH21 ARG A 106 3.215 3.469 6.941 1.00 0.00 H new ATOM 0 HH22 ARG A 106 4.060 4.181 8.320 1.00 0.00 H new ATOM 1575 N VAL A 107 -2.796 1.468 9.981 1.00 0.00 N ATOM 1576 CA VAL A 107 -4.002 2.235 9.739 1.00 0.00 C ATOM 1577 C VAL A 107 -3.699 3.428 8.820 1.00 0.00 C ATOM 1578 O VAL A 107 -2.612 4.023 8.894 1.00 0.00 O ATOM 1579 CB VAL A 107 -4.599 2.747 11.090 1.00 0.00 C ATOM 1580 CG1 VAL A 107 -5.914 3.466 10.881 1.00 0.00 C ATOM 1581 CG2 VAL A 107 -4.781 1.603 12.079 1.00 0.00 C ATOM 0 H VAL A 107 -2.052 1.994 10.439 1.00 0.00 H new ATOM 0 HA VAL A 107 -4.731 1.588 9.252 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.885 3.458 11.506 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -6.299 3.808 11.842 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -5.760 4.324 10.226 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -6.632 2.785 10.424 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -5.198 1.989 13.009 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.460 0.862 11.657 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -3.816 1.138 12.279 1.00 0.00 H new ATOM 1591 N TYR A 108 -4.639 3.736 7.948 1.00 0.00 N ATOM 1592 CA TYR A 108 -4.540 4.841 7.024 1.00 0.00 C ATOM 1593 C TYR A 108 -5.746 5.750 7.166 1.00 0.00 C ATOM 1594 O TYR A 108 -6.890 5.290 7.153 1.00 0.00 O ATOM 1595 CB TYR A 108 -4.429 4.341 5.575 1.00 0.00 C ATOM 1596 CG TYR A 108 -3.122 3.659 5.263 1.00 0.00 C ATOM 1597 CD1 TYR A 108 -2.934 2.306 5.512 1.00 0.00 C ATOM 1598 CD2 TYR A 108 -2.068 4.381 4.736 1.00 0.00 C ATOM 1599 CE1 TYR A 108 -1.726 1.698 5.238 1.00 0.00 C ATOM 1600 CE2 TYR A 108 -0.862 3.783 4.464 1.00 0.00 C ATOM 1601 CZ TYR A 108 -0.694 2.448 4.716 1.00 0.00 C ATOM 1602 OH TYR A 108 0.516 1.855 4.448 1.00 0.00 O ATOM 0 H TYR A 108 -5.510 3.212 7.863 1.00 0.00 H new ATOM 0 HA TYR A 108 -3.637 5.402 7.263 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -5.246 3.647 5.377 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -4.557 5.186 4.899 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -3.743 1.722 5.925 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -2.195 5.434 4.534 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -1.590 0.644 5.431 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -0.049 4.364 4.053 1.00 0.00 H new ATOM 0 HH TYR A 108 1.203 2.234 5.034 1.00 0.00 H new ATOM 1612 N CYS A 109 -5.501 7.017 7.318 1.00 0.00 N ATOM 1613 CA CYS A 109 -6.569 7.986 7.433 1.00 0.00 C ATOM 1614 C CYS A 109 -6.604 8.829 6.151 1.00 0.00 C ATOM 1615 O CYS A 109 -5.545 9.223 5.654 1.00 0.00 O ATOM 1616 CB CYS A 109 -6.360 8.860 8.682 1.00 0.00 C ATOM 1617 SG CYS A 109 -7.702 10.019 9.045 1.00 0.00 S ATOM 0 H CYS A 109 -4.563 7.415 7.367 1.00 0.00 H new ATOM 0 HA CYS A 109 -7.528 7.482 7.549 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -6.222 8.207 9.544 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -5.436 9.425 8.560 1.00 0.00 H new ATOM 0 HG CYS A 109 -7.413 10.695 10.117 1.00 0.00 H new ATOM 1623 N PRO A 110 -7.818 9.071 5.576 1.00 0.00 N ATOM 1624 CA PRO A 110 -7.980 9.817 4.307 1.00 0.00 C ATOM 1625 C PRO A 110 -7.631 11.300 4.399 1.00 0.00 C ATOM 1626 O PRO A 110 -7.363 11.913 3.382 1.00 0.00 O ATOM 1627 CB PRO A 110 -9.463 9.643 3.963 1.00 0.00 C ATOM 1628 CG PRO A 110 -10.129 9.337 5.258 1.00 0.00 C ATOM 1629 CD PRO A 110 -9.118 8.601 6.097 1.00 0.00 C ATOM 0 HA PRO A 110 -7.294 9.431 3.553 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -9.872 10.548 3.514 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -9.609 8.836 3.245 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -10.451 10.253 5.754 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -11.020 8.728 5.102 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -9.232 8.833 7.156 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -9.223 7.521 5.994 1.00 0.00 H new ATOM 1637 N VAL A 111 -7.700 11.848 5.630 1.00 0.00 N ATOM 1638 CA VAL A 111 -7.337 13.251 6.035 1.00 0.00 C ATOM 1639 C VAL A 111 -7.822 14.449 5.149 1.00 0.00 C ATOM 1640 O VAL A 111 -8.433 15.388 5.661 1.00 0.00 O ATOM 1641 CB VAL A 111 -5.839 13.416 6.442 1.00 0.00 C ATOM 1642 CG1 VAL A 111 -5.528 12.561 7.642 1.00 0.00 C ATOM 1643 CG2 VAL A 111 -4.887 13.087 5.306 1.00 0.00 C ATOM 0 H VAL A 111 -8.029 11.302 6.427 1.00 0.00 H new ATOM 0 HA VAL A 111 -7.967 13.347 6.919 1.00 0.00 H new ATOM 0 HB VAL A 111 -5.690 14.466 6.692 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.480 12.685 7.916 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -6.159 12.863 8.478 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -5.719 11.515 7.403 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -3.859 13.218 5.643 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -5.037 12.054 4.993 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -5.081 13.753 4.465 1.00 0.00 H new ATOM 1653 N ARG A 112 -7.540 14.426 3.866 1.00 0.00 N ATOM 1654 CA ARG A 112 -7.907 15.496 2.960 1.00 0.00 C ATOM 1655 C ARG A 112 -7.936 14.993 1.529 1.00 0.00 C ATOM 1656 O ARG A 112 -7.265 14.003 1.186 1.00 0.00 O ATOM 1657 CB ARG A 112 -6.935 16.684 3.072 1.00 0.00 C ATOM 1658 CG ARG A 112 -5.486 16.323 2.837 1.00 0.00 C ATOM 1659 CD ARG A 112 -4.584 17.531 2.911 1.00 0.00 C ATOM 1660 NE ARG A 112 -3.167 17.145 2.996 1.00 0.00 N ATOM 1661 CZ ARG A 112 -2.137 18.002 3.007 1.00 0.00 C ATOM 1662 NH1 ARG A 112 -2.336 19.294 2.743 1.00 0.00 N ATOM 1663 NH2 ARG A 112 -0.908 17.557 3.259 1.00 0.00 N ATOM 0 H ARG A 112 -7.044 13.657 3.415 1.00 0.00 H new ATOM 0 HA ARG A 112 -8.903 15.839 3.242 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -7.229 17.448 2.353 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -7.032 17.126 4.064 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -5.170 15.589 3.578 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -5.383 15.853 1.859 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -4.739 18.156 2.032 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -4.851 18.132 3.780 1.00 0.00 H new ATOM 0 HE ARG A 112 -2.952 16.149 3.051 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -3.275 19.633 2.532 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -1.550 19.943 2.752 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -0.752 16.566 3.443 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -0.122 18.207 3.268 1.00 0.00 H new ATOM 1677 N THR A 113 -8.743 15.633 0.719 1.00 0.00 N ATOM 1678 CA THR A 113 -8.816 15.355 -0.696 1.00 0.00 C ATOM 1679 C THR A 113 -7.471 15.694 -1.343 1.00 0.00 C ATOM 1680 O THR A 113 -6.952 16.795 -1.135 1.00 0.00 O ATOM 1681 CB THR A 113 -9.889 16.252 -1.328 1.00 0.00 C ATOM 1682 OG1 THR A 113 -11.085 16.193 -0.537 1.00 0.00 O ATOM 1683 CG2 THR A 113 -10.193 15.827 -2.762 1.00 0.00 C ATOM 0 H THR A 113 -9.376 16.371 1.027 1.00 0.00 H new ATOM 0 HA THR A 113 -9.058 14.303 -0.849 1.00 0.00 H new ATOM 0 HB THR A 113 -9.512 17.274 -1.354 1.00 0.00 H new ATOM 0 HG1 THR A 113 -11.817 16.634 -1.017 1.00 0.00 H new ATOM 0 HG21 THR A 113 -10.957 16.482 -3.181 1.00 0.00 H new ATOM 0 HG22 THR A 113 -9.286 15.897 -3.362 1.00 0.00 H new ATOM 0 HG23 THR A 113 -10.554 14.798 -2.768 1.00 0.00 H new ATOM 1691 N CYS A 114 -6.912 14.759 -2.072 1.00 0.00 N ATOM 1692 CA CYS A 114 -5.674 14.946 -2.798 1.00 0.00 C ATOM 1693 C CYS A 114 -5.649 14.026 -3.985 1.00 0.00 C ATOM 1694 O CYS A 114 -5.743 12.813 -3.845 1.00 0.00 O ATOM 1695 CB CYS A 114 -4.428 14.723 -1.922 1.00 0.00 C ATOM 1696 SG CYS A 114 -4.162 15.991 -0.662 1.00 0.00 S ATOM 0 H CYS A 114 -7.311 13.827 -2.181 1.00 0.00 H new ATOM 0 HA CYS A 114 -5.640 15.985 -3.127 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -4.513 13.753 -1.431 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -3.550 14.679 -2.566 1.00 0.00 H new ATOM 0 HG CYS A 114 -5.237 16.711 -0.537 1.00 0.00 H new ATOM 1702 N GLN A 115 -5.578 14.601 -5.137 1.00 0.00 N ATOM 1703 CA GLN A 115 -5.547 13.861 -6.362 1.00 0.00 C ATOM 1704 C GLN A 115 -4.390 14.384 -7.147 1.00 0.00 C ATOM 1705 O GLN A 115 -4.026 15.547 -6.986 1.00 0.00 O ATOM 1706 CB GLN A 115 -6.861 14.057 -7.129 1.00 0.00 C ATOM 1707 CG GLN A 115 -8.090 13.584 -6.359 1.00 0.00 C ATOM 1708 CD GLN A 115 -9.413 13.887 -7.037 1.00 0.00 C ATOM 1709 OE1 GLN A 115 -9.426 13.929 -8.345 1.00 0.00 O flip ATOM 1710 NE2 GLN A 115 -10.430 14.085 -6.364 1.00 0.00 N flip ATOM 0 H GLN A 115 -5.539 15.613 -5.261 1.00 0.00 H new ATOM 0 HA GLN A 115 -5.436 12.792 -6.179 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -6.978 15.113 -7.371 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -6.805 13.518 -8.075 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -8.014 12.508 -6.204 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -8.087 14.049 -5.373 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -10.384 14.045 -5.346 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -11.316 14.289 -6.827 1.00 0.00 H new ATOM 1719 N GLY A 116 -3.777 13.564 -7.929 1.00 0.00 N ATOM 1720 CA GLY A 116 -2.677 14.030 -8.691 1.00 0.00 C ATOM 1721 C GLY A 116 -1.701 12.955 -8.977 1.00 0.00 C ATOM 1722 O GLY A 116 -1.976 11.773 -8.750 1.00 0.00 O ATOM 0 H GLY A 116 -4.016 12.581 -8.055 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -3.039 14.449 -9.630 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -2.179 14.837 -8.152 1.00 0.00 H new ATOM 1726 N VAL A 117 -0.569 13.357 -9.449 1.00 0.00 N ATOM 1727 CA VAL A 117 0.496 12.473 -9.787 1.00 0.00 C ATOM 1728 C VAL A 117 1.730 12.904 -9.013 1.00 0.00 C ATOM 1729 O VAL A 117 2.290 13.958 -9.288 1.00 0.00 O ATOM 1730 CB VAL A 117 0.768 12.411 -11.336 1.00 0.00 C ATOM 1731 CG1 VAL A 117 -0.351 11.648 -12.037 1.00 0.00 C ATOM 1732 CG2 VAL A 117 0.880 13.816 -11.948 1.00 0.00 C ATOM 0 H VAL A 117 -0.353 14.340 -9.615 1.00 0.00 H new ATOM 0 HA VAL A 117 0.217 11.457 -9.508 1.00 0.00 H new ATOM 0 HB VAL A 117 1.717 11.895 -11.480 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -0.151 11.612 -13.108 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -0.402 10.633 -11.643 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -1.301 12.153 -11.862 1.00 0.00 H new ATOM 0 HG21 VAL A 117 1.068 13.733 -13.018 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -0.051 14.359 -11.784 1.00 0.00 H new ATOM 0 HG23 VAL A 117 1.702 14.354 -11.476 1.00 0.00 H new ATOM 1742 N PRO A 118 2.125 12.113 -7.994 1.00 0.00 N ATOM 1743 CA PRO A 118 3.244 12.434 -7.085 1.00 0.00 C ATOM 1744 C PRO A 118 4.471 12.986 -7.817 1.00 0.00 C ATOM 1745 O PRO A 118 4.980 12.356 -8.733 1.00 0.00 O ATOM 1746 CB PRO A 118 3.559 11.087 -6.470 1.00 0.00 C ATOM 1747 CG PRO A 118 2.246 10.409 -6.406 1.00 0.00 C ATOM 1748 CD PRO A 118 1.500 10.824 -7.636 1.00 0.00 C ATOM 0 HA PRO A 118 2.982 13.213 -6.369 1.00 0.00 H new ATOM 0 HB2 PRO A 118 4.269 10.526 -7.078 1.00 0.00 H new ATOM 0 HB3 PRO A 118 4.002 11.194 -5.480 1.00 0.00 H new ATOM 0 HG2 PRO A 118 2.368 9.326 -6.372 1.00 0.00 H new ATOM 0 HG3 PRO A 118 1.703 10.697 -5.506 1.00 0.00 H new ATOM 0 HD2 PRO A 118 1.604 10.091 -8.436 1.00 0.00 H new ATOM 0 HD3 PRO A 118 0.433 10.935 -7.441 1.00 0.00 H new ATOM 1756 N PRO A 119 5.017 14.133 -7.367 1.00 0.00 N ATOM 1757 CA PRO A 119 4.627 14.794 -6.122 1.00 0.00 C ATOM 1758 C PRO A 119 3.499 15.826 -6.258 1.00 0.00 C ATOM 1759 O PRO A 119 3.213 16.564 -5.301 1.00 0.00 O ATOM 1760 CB PRO A 119 5.925 15.490 -5.712 1.00 0.00 C ATOM 1761 CG PRO A 119 6.669 15.757 -6.993 1.00 0.00 C ATOM 1762 CD PRO A 119 6.039 14.912 -8.075 1.00 0.00 C ATOM 0 HA PRO A 119 4.222 14.076 -5.408 1.00 0.00 H new ATOM 0 HB2 PRO A 119 5.720 16.418 -5.178 1.00 0.00 H new ATOM 0 HB3 PRO A 119 6.512 14.861 -5.043 1.00 0.00 H new ATOM 0 HG2 PRO A 119 6.615 16.814 -7.253 1.00 0.00 H new ATOM 0 HG3 PRO A 119 7.725 15.510 -6.881 1.00 0.00 H new ATOM 0 HD2 PRO A 119 5.599 15.529 -8.858 1.00 0.00 H new ATOM 0 HD3 PRO A 119 6.773 14.265 -8.554 1.00 0.00 H new ATOM 1770 N ASN A 120 2.844 15.867 -7.408 1.00 0.00 N ATOM 1771 CA ASN A 120 1.775 16.835 -7.616 1.00 0.00 C ATOM 1772 C ASN A 120 0.556 16.386 -6.866 1.00 0.00 C ATOM 1773 O ASN A 120 -0.163 15.481 -7.294 1.00 0.00 O ATOM 1774 CB ASN A 120 1.400 16.988 -9.108 1.00 0.00 C ATOM 1775 CG ASN A 120 2.491 17.560 -9.987 1.00 0.00 C ATOM 1776 OD1 ASN A 120 3.688 17.381 -9.738 1.00 0.00 O ATOM 1777 ND2 ASN A 120 2.097 18.202 -11.052 1.00 0.00 N ATOM 0 H ASN A 120 3.028 15.252 -8.201 1.00 0.00 H new ATOM 0 HA ASN A 120 2.134 17.799 -7.256 1.00 0.00 H new ATOM 0 HB2 ASN A 120 1.116 16.011 -9.498 1.00 0.00 H new ATOM 0 HB3 ASN A 120 0.521 17.629 -9.182 1.00 0.00 H new ATOM 0 HD21 ASN A 120 2.785 18.573 -11.708 1.00 0.00 H new ATOM 0 HD22 ASN A 120 1.101 18.333 -11.229 1.00 0.00 H new ATOM 1784 N HIS A 121 0.360 16.972 -5.735 1.00 0.00 N ATOM 1785 CA HIS A 121 -0.776 16.713 -4.919 1.00 0.00 C ATOM 1786 C HIS A 121 -1.743 17.874 -4.990 1.00 0.00 C ATOM 1787 O HIS A 121 -1.438 18.970 -4.520 1.00 0.00 O ATOM 1788 CB HIS A 121 -0.380 16.322 -3.465 1.00 0.00 C ATOM 1789 CG HIS A 121 0.452 17.325 -2.690 1.00 0.00 C ATOM 1790 ND1 HIS A 121 1.835 17.393 -2.760 1.00 0.00 N ATOM 1791 CD2 HIS A 121 0.086 18.267 -1.793 1.00 0.00 C ATOM 1792 CE1 HIS A 121 2.267 18.325 -1.937 1.00 0.00 C ATOM 1793 NE2 HIS A 121 1.228 18.866 -1.342 1.00 0.00 N ATOM 0 H HIS A 121 1.001 17.661 -5.342 1.00 0.00 H new ATOM 0 HA HIS A 121 -1.294 15.838 -5.312 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -1.295 16.133 -2.903 1.00 0.00 H new ATOM 0 HB3 HIS A 121 0.170 15.382 -3.504 1.00 0.00 H new ATOM 0 HD1 HIS A 121 2.425 16.812 -3.356 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -0.923 18.503 -1.489 1.00 0.00 H new ATOM 0 HE1 HIS A 121 3.300 18.598 -1.778 1.00 0.00 H new ATOM 1802 N ILE A 122 -2.861 17.666 -5.618 1.00 0.00 N ATOM 1803 CA ILE A 122 -3.872 18.694 -5.724 1.00 0.00 C ATOM 1804 C ILE A 122 -4.877 18.486 -4.592 1.00 0.00 C ATOM 1805 O ILE A 122 -5.664 17.526 -4.632 1.00 0.00 O ATOM 1806 CB ILE A 122 -4.602 18.617 -7.091 1.00 0.00 C ATOM 1807 CG1 ILE A 122 -3.572 18.590 -8.230 1.00 0.00 C ATOM 1808 CG2 ILE A 122 -5.544 19.815 -7.254 1.00 0.00 C ATOM 1809 CD1 ILE A 122 -4.166 18.383 -9.613 1.00 0.00 C ATOM 0 H ILE A 122 -3.105 16.786 -6.072 1.00 0.00 H new ATOM 0 HA ILE A 122 -3.403 19.675 -5.651 1.00 0.00 H new ATOM 0 HB ILE A 122 -5.194 17.702 -7.128 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -3.018 19.528 -8.224 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -2.854 17.794 -8.034 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -6.051 19.751 -8.217 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -6.283 19.808 -6.453 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -4.968 20.739 -7.208 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -3.367 18.378 -10.355 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -4.696 17.431 -9.643 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -4.862 19.192 -9.835 1.00 0.00 H new ATOM 1821 N PRO A 123 -4.829 19.330 -3.548 1.00 0.00 N ATOM 1822 CA PRO A 123 -5.680 19.185 -2.392 1.00 0.00 C ATOM 1823 C PRO A 123 -7.059 19.823 -2.577 1.00 0.00 C ATOM 1824 O PRO A 123 -7.232 20.764 -3.368 1.00 0.00 O ATOM 1825 CB PRO A 123 -4.895 19.888 -1.284 1.00 0.00 C ATOM 1826 CG PRO A 123 -4.077 20.932 -1.978 1.00 0.00 C ATOM 1827 CD PRO A 123 -3.943 20.509 -3.424 1.00 0.00 C ATOM 0 HA PRO A 123 -5.897 18.138 -2.180 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -5.566 20.337 -0.551 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -4.260 19.185 -0.746 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -4.557 21.908 -1.906 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -3.096 21.024 -1.512 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -4.247 21.307 -4.101 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -2.911 20.258 -3.670 1.00 0.00 H new ATOM 1835 N GLY A 124 -8.025 19.310 -1.866 1.00 0.00 N ATOM 1836 CA GLY A 124 -9.360 19.837 -1.930 1.00 0.00 C ATOM 1837 C GLY A 124 -9.875 20.196 -0.558 1.00 0.00 C ATOM 1838 O GLY A 124 -9.552 21.262 -0.024 1.00 0.00 O ATOM 0 H GLY A 124 -7.911 18.521 -1.230 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -9.374 20.720 -2.568 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -10.022 19.102 -2.388 1.00 0.00 H new ATOM 1842 N VAL A 125 -10.635 19.310 0.030 1.00 0.00 N ATOM 1843 CA VAL A 125 -11.208 19.550 1.331 1.00 0.00 C ATOM 1844 C VAL A 125 -10.331 18.904 2.395 1.00 0.00 C ATOM 1845 O VAL A 125 -10.088 17.691 2.353 1.00 0.00 O ATOM 1846 CB VAL A 125 -12.651 18.989 1.424 1.00 0.00 C ATOM 1847 CG1 VAL A 125 -13.284 19.350 2.753 1.00 0.00 C ATOM 1848 CG2 VAL A 125 -13.509 19.501 0.270 1.00 0.00 C ATOM 0 H VAL A 125 -10.874 18.405 -0.376 1.00 0.00 H new ATOM 0 HA VAL A 125 -11.257 20.627 1.493 1.00 0.00 H new ATOM 0 HB VAL A 125 -12.594 17.903 1.353 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -14.296 18.946 2.796 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -12.691 18.929 3.565 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -13.322 20.435 2.855 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -14.516 19.094 0.357 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -13.553 20.590 0.305 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -13.071 19.186 -0.677 1.00 0.00 H new ATOM 1858 N ALA A 126 -9.805 19.719 3.279 1.00 0.00 N ATOM 1859 CA ALA A 126 -8.968 19.265 4.367 1.00 0.00 C ATOM 1860 C ALA A 126 -9.805 19.046 5.616 1.00 0.00 C ATOM 1861 O ALA A 126 -10.439 19.978 6.109 1.00 0.00 O ATOM 1862 CB ALA A 126 -7.866 20.279 4.633 1.00 0.00 C ATOM 0 H ALA A 126 -9.948 20.729 3.263 1.00 0.00 H new ATOM 0 HA ALA A 126 -8.508 18.316 4.090 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -7.240 19.929 5.454 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -7.257 20.397 3.737 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -8.310 21.238 4.899 1.00 0.00 H new ATOM 1868 N TRP A 127 -9.816 17.842 6.131 1.00 0.00 N ATOM 1869 CA TRP A 127 -10.602 17.540 7.313 1.00 0.00 C ATOM 1870 C TRP A 127 -9.728 17.491 8.564 1.00 0.00 C ATOM 1871 O TRP A 127 -9.661 16.471 9.240 1.00 0.00 O ATOM 1872 CB TRP A 127 -11.375 16.216 7.158 1.00 0.00 C ATOM 1873 CG TRP A 127 -12.326 16.188 6.000 1.00 0.00 C ATOM 1874 CD1 TRP A 127 -13.502 16.858 5.895 1.00 0.00 C ATOM 1875 CD2 TRP A 127 -12.192 15.426 4.792 1.00 0.00 C ATOM 1876 NE1 TRP A 127 -14.095 16.577 4.690 1.00 0.00 N ATOM 1877 CE2 TRP A 127 -13.315 15.703 4.000 1.00 0.00 C ATOM 1878 CE3 TRP A 127 -11.231 14.545 4.308 1.00 0.00 C ATOM 1879 CZ2 TRP A 127 -13.503 15.133 2.747 1.00 0.00 C ATOM 1880 CZ3 TRP A 127 -11.416 13.980 3.067 1.00 0.00 C ATOM 1881 CH2 TRP A 127 -12.546 14.274 2.299 1.00 0.00 C ATOM 0 H TRP A 127 -9.292 17.052 5.755 1.00 0.00 H new ATOM 0 HA TRP A 127 -11.326 18.347 7.426 1.00 0.00 H new ATOM 0 HB2 TRP A 127 -10.659 15.402 7.045 1.00 0.00 H new ATOM 0 HB3 TRP A 127 -11.932 16.025 8.075 1.00 0.00 H new ATOM 0 HD1 TRP A 127 -13.910 17.515 6.649 1.00 0.00 H new ATOM 0 HE1 TRP A 127 -14.981 16.963 4.364 1.00 0.00 H new ATOM 0 HE3 TRP A 127 -10.356 14.309 4.895 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 -14.374 15.362 2.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 -10.675 13.297 2.679 1.00 0.00 H new ATOM 0 HH2 TRP A 127 -12.663 13.811 1.331 1.00 0.00 H new ATOM 1892 N GLY A 128 -9.040 18.565 8.861 1.00 0.00 N ATOM 1893 CA GLY A 128 -8.229 18.587 10.054 1.00 0.00 C ATOM 1894 C GLY A 128 -7.109 19.576 9.967 1.00 0.00 C ATOM 1895 O GLY A 128 -7.065 20.393 9.038 1.00 0.00 O ATOM 0 H GLY A 128 -9.023 19.421 8.306 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -8.857 18.828 10.912 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -7.819 17.592 10.229 1.00 0.00 H new ATOM 1899 N VAL A 129 -6.207 19.510 10.920 1.00 0.00 N ATOM 1900 CA VAL A 129 -5.069 20.404 10.976 1.00 0.00 C ATOM 1901 C VAL A 129 -3.795 19.613 10.712 1.00 0.00 C ATOM 1902 O VAL A 129 -3.553 18.581 11.344 1.00 0.00 O ATOM 1903 CB VAL A 129 -4.974 21.113 12.356 1.00 0.00 C ATOM 1904 CG1 VAL A 129 -3.755 22.023 12.430 1.00 0.00 C ATOM 1905 CG2 VAL A 129 -6.246 21.905 12.648 1.00 0.00 C ATOM 0 H VAL A 129 -6.241 18.833 11.682 1.00 0.00 H new ATOM 0 HA VAL A 129 -5.195 21.172 10.213 1.00 0.00 H new ATOM 0 HB VAL A 129 -4.864 20.339 13.116 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -3.718 22.503 13.408 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -2.851 21.433 12.282 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -3.822 22.785 11.654 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -6.156 22.392 13.619 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -6.390 22.660 11.875 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -7.101 21.229 12.659 1.00 0.00 H new ATOM 1915 N PHE A 130 -3.000 20.084 9.793 1.00 0.00 N ATOM 1916 CA PHE A 130 -1.793 19.396 9.391 1.00 0.00 C ATOM 1917 C PHE A 130 -0.577 20.187 9.815 1.00 0.00 C ATOM 1918 O PHE A 130 -0.561 21.412 9.692 1.00 0.00 O ATOM 1919 CB PHE A 130 -1.772 19.220 7.864 1.00 0.00 C ATOM 1920 CG PHE A 130 -2.899 18.393 7.325 1.00 0.00 C ATOM 1921 CD1 PHE A 130 -4.156 18.949 7.121 1.00 0.00 C ATOM 1922 CD2 PHE A 130 -2.707 17.062 7.023 1.00 0.00 C ATOM 1923 CE1 PHE A 130 -5.190 18.191 6.633 1.00 0.00 C ATOM 1924 CE2 PHE A 130 -3.740 16.300 6.532 1.00 0.00 C ATOM 1925 CZ PHE A 130 -4.985 16.868 6.338 1.00 0.00 C ATOM 0 H PHE A 130 -3.166 20.959 9.296 1.00 0.00 H new ATOM 0 HA PHE A 130 -1.775 18.418 9.872 1.00 0.00 H new ATOM 0 HB2 PHE A 130 -1.802 20.204 7.396 1.00 0.00 H new ATOM 0 HB3 PHE A 130 -0.828 18.759 7.576 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -4.321 19.992 7.350 1.00 0.00 H new ATOM 0 HD2 PHE A 130 -1.736 16.614 7.174 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -6.163 18.635 6.482 1.00 0.00 H new ATOM 0 HE2 PHE A 130 -3.579 15.258 6.298 1.00 0.00 H new ATOM 0 HZ PHE A 130 -5.797 16.269 5.954 1.00 0.00 H new ATOM 1935 N LYS A 131 0.413 19.511 10.337 1.00 0.00 N ATOM 1936 CA LYS A 131 1.656 20.136 10.679 1.00 0.00 C ATOM 1937 C LYS A 131 2.819 19.185 10.381 1.00 0.00 C ATOM 1938 O LYS A 131 3.389 18.564 11.307 1.00 0.00 O ATOM 1939 CB LYS A 131 1.654 20.669 12.133 1.00 0.00 C ATOM 1940 CG LYS A 131 1.256 19.655 13.201 1.00 0.00 C ATOM 1941 CD LYS A 131 1.431 20.216 14.606 1.00 0.00 C ATOM 1942 CE LYS A 131 0.530 21.418 14.876 1.00 0.00 C ATOM 1943 NZ LYS A 131 0.797 22.008 16.204 1.00 0.00 N ATOM 1944 OXT LYS A 131 3.137 19.007 9.174 1.00 0.00 O ATOM 0 H LYS A 131 0.376 18.511 10.536 1.00 0.00 H new ATOM 0 HA LYS A 131 1.792 21.018 10.053 1.00 0.00 H new ATOM 0 HB2 LYS A 131 2.651 21.044 12.366 1.00 0.00 H new ATOM 0 HB3 LYS A 131 0.972 21.518 12.190 1.00 0.00 H new ATOM 0 HG2 LYS A 131 0.217 19.361 13.054 1.00 0.00 H new ATOM 0 HG3 LYS A 131 1.861 18.755 13.091 1.00 0.00 H new ATOM 0 HD2 LYS A 131 1.215 19.434 15.334 1.00 0.00 H new ATOM 0 HD3 LYS A 131 2.471 20.507 14.750 1.00 0.00 H new ATOM 0 HE2 LYS A 131 0.686 22.172 14.104 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -0.514 21.112 14.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 0.168 22.822 16.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 0.624 21.295 16.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 1.787 22.322 16.252 1.00 0.00 H new