USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=19 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 -110:sc= -0.061 USER MOD Set 1.2: A 91 GLN : amide:sc= 1.66 K(o=1.6,f=0.25) USER MOD Single : A 38 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0347) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.173 K(o=-0.17,f=-8.5!) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) 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+ -176:sc= 1.28 (180deg=1.2) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 THR OG1 : rot 25:sc= 0.674 USER MOD Single : A 55 ASN : amide:sc= 0.667 K(o=0.67,f=-0.44) USER MOD Single : A 57 ASN : amide:sc= -0.569 X(o=-0.57,f=-0.37) USER MOD Single : A 58 GLN : amide:sc= 0.787 K(o=0.79,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.00165 USER MOD Single : A 66 SER OG : rot -96:sc= 0.237 USER MOD Single : A 70 ASN : amide:sc= -0.0377 X(o=-0.038,f=-0.21) USER MOD Single : A 76 ASN : amide:sc= -1.7! X(o=-1.7!,f=-1.3) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 100:sc= -0.122 USER MOD Single : A 89 CYS SG : rot -19:sc= -1.15! USER MOD Single : A 94 HIS : no HD1:sc= -0.845 K(o=-0.85,f=-1.6) USER MOD Single : A 99 TYR OH : rot 180:sc= -0.542 USER MOD Single : A 100 ASN : amide:sc= 1.04 K(o=1,f=-0.16) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -0.905 K(o=-0.9,f=-2.4!) USER MOD Single : A 105 ASN : amide:sc= -0.111 K(o=-0.11,f=-5.2!) USER MOD Single : A 108 TYR OH : rot 40:sc= 1.29 USER MOD Single : A 109 CYS SG : rot -170:sc= -0.727 USER MOD Single : A 113 THR OG1 : rot 47:sc= 0.538 USER MOD Single : A 114 CYS SG : rot -153:sc= -1.14 USER MOD Single : A 115 GLN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 120 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 121 HIS : no HE2:sc= 0.837 K(o=0.84,f=-2.9!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 504 N TRP A 37 8.878 9.183 -4.441 1.00 0.00 N ATOM 505 CA TRP A 37 7.789 8.399 -3.940 1.00 0.00 C ATOM 506 C TRP A 37 7.998 6.960 -4.379 1.00 0.00 C ATOM 507 O TRP A 37 8.522 6.711 -5.467 1.00 0.00 O ATOM 508 CB TRP A 37 6.453 8.937 -4.481 1.00 0.00 C ATOM 509 CG TRP A 37 6.097 10.322 -3.996 1.00 0.00 C ATOM 510 CD1 TRP A 37 6.761 11.487 -4.256 1.00 0.00 C ATOM 511 CD2 TRP A 37 4.966 10.685 -3.197 1.00 0.00 C ATOM 512 NE1 TRP A 37 6.137 12.535 -3.638 1.00 0.00 N ATOM 513 CE2 TRP A 37 5.025 12.075 -2.993 1.00 0.00 C ATOM 514 CE3 TRP A 37 3.916 9.967 -2.627 1.00 0.00 C ATOM 515 CZ2 TRP A 37 4.072 12.760 -2.245 1.00 0.00 C ATOM 516 CZ3 TRP A 37 2.970 10.647 -1.887 1.00 0.00 C ATOM 517 CH2 TRP A 37 3.053 12.029 -1.702 1.00 0.00 C ATOM 0 HA TRP A 37 7.757 8.454 -2.852 1.00 0.00 H new ATOM 0 HB2 TRP A 37 6.493 8.946 -5.570 1.00 0.00 H new ATOM 0 HB3 TRP A 37 5.656 8.250 -4.197 1.00 0.00 H new ATOM 0 HD1 TRP A 37 7.651 11.569 -4.862 1.00 0.00 H new ATOM 0 HE1 TRP A 37 6.452 13.505 -3.656 1.00 0.00 H new ATOM 0 HE3 TRP A 37 3.844 8.898 -2.762 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 4.135 13.828 -2.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.151 10.101 -1.443 1.00 0.00 H new ATOM 0 HH2 TRP A 37 2.296 12.530 -1.117 1.00 0.00 H new ATOM 528 N LYS A 38 7.599 6.043 -3.555 1.00 0.00 N ATOM 529 CA LYS A 38 7.748 4.626 -3.820 1.00 0.00 C ATOM 530 C LYS A 38 6.355 4.075 -3.987 1.00 0.00 C ATOM 531 O LYS A 38 5.437 4.609 -3.398 1.00 0.00 O ATOM 532 CB LYS A 38 8.386 3.959 -2.601 1.00 0.00 C ATOM 533 CG LYS A 38 9.692 4.595 -2.142 1.00 0.00 C ATOM 534 CD LYS A 38 10.156 4.031 -0.800 1.00 0.00 C ATOM 535 CE LYS A 38 10.469 2.541 -0.862 1.00 0.00 C ATOM 536 NZ LYS A 38 11.629 2.243 -1.726 1.00 0.00 N ATOM 0 H LYS A 38 7.152 6.250 -2.662 1.00 0.00 H new ATOM 0 HA LYS A 38 8.365 4.448 -4.700 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.675 3.984 -1.775 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.569 2.910 -2.832 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.463 4.425 -2.894 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.561 5.674 -2.057 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.044 4.571 -0.472 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.383 4.204 -0.051 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.665 2.172 0.145 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.596 2.005 -1.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.853 1.229 -1.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.402 2.492 -2.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.450 2.798 -1.409 1.00 0.00 H new ATOM 550 N LYS A 39 6.165 3.046 -4.761 1.00 0.00 N ATOM 551 CA LYS A 39 4.817 2.549 -4.925 1.00 0.00 C ATOM 552 C LYS A 39 4.635 1.202 -4.253 1.00 0.00 C ATOM 553 O LYS A 39 5.501 0.329 -4.328 1.00 0.00 O ATOM 554 CB LYS A 39 4.393 2.475 -6.398 1.00 0.00 C ATOM 555 CG LYS A 39 2.902 2.178 -6.562 1.00 0.00 C ATOM 556 CD LYS A 39 2.452 2.073 -8.007 1.00 0.00 C ATOM 557 CE LYS A 39 3.077 0.893 -8.724 1.00 0.00 C ATOM 558 NZ LYS A 39 2.501 0.706 -10.064 1.00 0.00 N ATOM 0 H LYS A 39 6.891 2.546 -5.274 1.00 0.00 H new ATOM 0 HA LYS A 39 4.164 3.271 -4.434 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.629 3.419 -6.889 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.972 1.701 -6.901 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.669 1.244 -6.050 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.329 2.963 -6.069 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.366 1.981 -8.041 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.711 2.992 -8.533 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.153 1.046 -8.808 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.929 -0.012 -8.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.952 -0.110 -10.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.478 0.535 -9.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.664 1.560 -10.634 1.00 0.00 H new ATOM 572 N ASN A 40 3.533 1.063 -3.567 1.00 0.00 N ATOM 573 CA ASN A 40 3.130 -0.180 -2.940 1.00 0.00 C ATOM 574 C ASN A 40 2.203 -0.881 -3.948 1.00 0.00 C ATOM 575 O ASN A 40 1.653 -0.213 -4.834 1.00 0.00 O ATOM 576 CB ASN A 40 2.392 0.136 -1.612 1.00 0.00 C ATOM 577 CG ASN A 40 2.153 -1.070 -0.695 1.00 0.00 C ATOM 578 OD1 ASN A 40 1.987 -2.202 -1.138 1.00 0.00 O ATOM 579 ND2 ASN A 40 2.151 -0.829 0.585 1.00 0.00 N ATOM 0 H ASN A 40 2.871 1.825 -3.421 1.00 0.00 H new ATOM 0 HA ASN A 40 3.977 -0.821 -2.694 1.00 0.00 H new ATOM 0 HB2 ASN A 40 2.968 0.881 -1.063 1.00 0.00 H new ATOM 0 HB3 ASN A 40 1.429 0.589 -1.849 1.00 0.00 H new ATOM 0 HD21 ASN A 40 2.009 -1.592 1.247 1.00 0.00 H new ATOM 0 HD22 ASN A 40 2.292 0.122 0.925 1.00 0.00 H new ATOM 586 N GLN A 41 1.985 -2.180 -3.802 1.00 0.00 N ATOM 587 CA GLN A 41 1.225 -2.961 -4.789 1.00 0.00 C ATOM 588 C GLN A 41 -0.245 -2.567 -4.838 1.00 0.00 C ATOM 589 O GLN A 41 -0.947 -2.910 -5.766 1.00 0.00 O ATOM 590 CB GLN A 41 1.349 -4.457 -4.543 1.00 0.00 C ATOM 591 CG GLN A 41 2.770 -4.955 -4.471 1.00 0.00 C ATOM 592 CD GLN A 41 2.848 -6.454 -4.547 1.00 0.00 C ATOM 593 OE1 GLN A 41 2.988 -7.018 -5.631 1.00 0.00 O ATOM 594 NE2 GLN A 41 2.731 -7.114 -3.432 1.00 0.00 N ATOM 0 H GLN A 41 2.322 -2.725 -3.008 1.00 0.00 H new ATOM 0 HA GLN A 41 1.669 -2.727 -5.757 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.842 -4.704 -3.610 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.829 -4.989 -5.340 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.348 -4.520 -5.287 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.226 -4.615 -3.541 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.616 -6.612 -2.552 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.754 -8.134 -3.438 1.00 0.00 H new ATOM 603 N TYR A 42 -0.694 -1.815 -3.848 1.00 0.00 N ATOM 604 CA TYR A 42 -2.080 -1.334 -3.814 1.00 0.00 C ATOM 605 C TYR A 42 -2.262 -0.166 -4.800 1.00 0.00 C ATOM 606 O TYR A 42 -3.358 0.388 -4.946 1.00 0.00 O ATOM 607 CB TYR A 42 -2.463 -0.865 -2.400 1.00 0.00 C ATOM 608 CG TYR A 42 -2.251 -1.892 -1.304 1.00 0.00 C ATOM 609 CD1 TYR A 42 -2.945 -3.096 -1.296 1.00 0.00 C ATOM 610 CD2 TYR A 42 -1.350 -1.653 -0.281 1.00 0.00 C ATOM 611 CE1 TYR A 42 -2.745 -4.028 -0.295 1.00 0.00 C ATOM 612 CE2 TYR A 42 -1.145 -2.574 0.721 1.00 0.00 C ATOM 613 CZ TYR A 42 -1.842 -3.760 0.711 1.00 0.00 C ATOM 614 OH TYR A 42 -1.629 -4.691 1.716 1.00 0.00 O ATOM 0 H TYR A 42 -0.126 -1.520 -3.054 1.00 0.00 H new ATOM 0 HA TYR A 42 -2.729 -2.161 -4.101 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -1.883 0.026 -2.159 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -3.512 -0.571 -2.403 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -3.652 -3.307 -2.085 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -0.797 -0.725 -0.269 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -3.292 -4.959 -0.301 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -0.440 -2.366 1.512 1.00 0.00 H new ATOM 0 HH TYR A 42 -0.961 -4.346 2.345 1.00 0.00 H new ATOM 624 N GLY A 43 -1.174 0.206 -5.463 1.00 0.00 N ATOM 625 CA GLY A 43 -1.193 1.307 -6.388 1.00 0.00 C ATOM 626 C GLY A 43 -1.099 2.604 -5.653 1.00 0.00 C ATOM 627 O GLY A 43 -1.557 3.644 -6.119 1.00 0.00 O ATOM 0 H GLY A 43 -0.266 -0.249 -5.369 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.362 1.217 -7.088 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.110 1.280 -6.977 1.00 0.00 H new ATOM 631 N THR A 44 -0.544 2.525 -4.489 1.00 0.00 N ATOM 632 CA THR A 44 -0.398 3.646 -3.639 1.00 0.00 C ATOM 633 C THR A 44 1.057 4.103 -3.640 1.00 0.00 C ATOM 634 O THR A 44 1.966 3.298 -3.391 1.00 0.00 O ATOM 635 CB THR A 44 -0.811 3.251 -2.217 1.00 0.00 C ATOM 636 OG1 THR A 44 -2.068 2.561 -2.284 1.00 0.00 O ATOM 637 CG2 THR A 44 -0.971 4.486 -1.364 1.00 0.00 C ATOM 0 H THR A 44 -0.173 1.658 -4.100 1.00 0.00 H new ATOM 0 HA THR A 44 -1.029 4.461 -3.993 1.00 0.00 H new ATOM 0 HB THR A 44 -0.046 2.611 -1.777 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.771 3.123 -1.896 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.265 4.196 -0.355 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.025 5.027 -1.325 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.739 5.129 -1.795 1.00 0.00 H new ATOM 645 N TRP A 45 1.275 5.350 -3.956 1.00 0.00 N ATOM 646 CA TRP A 45 2.606 5.921 -3.935 1.00 0.00 C ATOM 647 C TRP A 45 2.827 6.558 -2.588 1.00 0.00 C ATOM 648 O TRP A 45 1.976 7.304 -2.126 1.00 0.00 O ATOM 649 CB TRP A 45 2.778 6.955 -5.039 1.00 0.00 C ATOM 650 CG TRP A 45 2.748 6.391 -6.431 1.00 0.00 C ATOM 651 CD1 TRP A 45 1.646 6.115 -7.192 1.00 0.00 C ATOM 652 CD2 TRP A 45 3.887 6.063 -7.243 1.00 0.00 C ATOM 653 NE1 TRP A 45 2.032 5.640 -8.421 1.00 0.00 N ATOM 654 CE2 TRP A 45 3.400 5.596 -8.477 1.00 0.00 C ATOM 655 CE3 TRP A 45 5.272 6.121 -7.044 1.00 0.00 C ATOM 656 CZ2 TRP A 45 4.243 5.190 -9.509 1.00 0.00 C ATOM 657 CZ3 TRP A 45 6.108 5.717 -8.068 1.00 0.00 C ATOM 658 CH2 TRP A 45 5.592 5.258 -9.286 1.00 0.00 C ATOM 0 H TRP A 45 0.542 6.002 -4.235 1.00 0.00 H new ATOM 0 HA TRP A 45 3.340 5.133 -4.107 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.989 7.702 -4.946 1.00 0.00 H new ATOM 0 HB3 TRP A 45 3.726 7.472 -4.891 1.00 0.00 H new ATOM 0 HD1 TRP A 45 0.623 6.251 -6.873 1.00 0.00 H new ATOM 0 HE1 TRP A 45 1.400 5.364 -9.173 1.00 0.00 H new ATOM 0 HE3 TRP A 45 5.679 6.475 -6.108 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 3.847 4.835 -10.449 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 7.178 5.756 -7.926 1.00 0.00 H new ATOM 0 HH2 TRP A 45 6.273 4.951 -10.066 1.00 0.00 H new ATOM 669 N TYR A 46 3.936 6.265 -1.964 1.00 0.00 N ATOM 670 CA TYR A 46 4.203 6.736 -0.629 1.00 0.00 C ATOM 671 C TYR A 46 5.596 7.330 -0.485 1.00 0.00 C ATOM 672 O TYR A 46 6.526 6.964 -1.206 1.00 0.00 O ATOM 673 CB TYR A 46 3.996 5.600 0.394 1.00 0.00 C ATOM 674 CG TYR A 46 4.896 4.386 0.220 1.00 0.00 C ATOM 675 CD1 TYR A 46 4.532 3.345 -0.621 1.00 0.00 C ATOM 676 CD2 TYR A 46 6.102 4.280 0.908 1.00 0.00 C ATOM 677 CE1 TYR A 46 5.340 2.239 -0.776 1.00 0.00 C ATOM 678 CE2 TYR A 46 6.913 3.174 0.755 1.00 0.00 C ATOM 679 CZ TYR A 46 6.526 2.158 -0.087 1.00 0.00 C ATOM 680 OH TYR A 46 7.338 1.053 -0.254 1.00 0.00 O ATOM 0 H TYR A 46 4.680 5.694 -2.365 1.00 0.00 H new ATOM 0 HA TYR A 46 3.493 7.538 -0.428 1.00 0.00 H new ATOM 0 HB2 TYR A 46 4.150 6.004 1.395 1.00 0.00 H new ATOM 0 HB3 TYR A 46 2.958 5.271 0.340 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.600 3.402 -1.164 1.00 0.00 H new ATOM 0 HD2 TYR A 46 6.407 5.076 1.572 1.00 0.00 H new ATOM 0 HE1 TYR A 46 5.042 1.439 -1.437 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.847 3.107 1.294 1.00 0.00 H new ATOM 0 HH TYR A 46 8.139 1.149 0.302 1.00 0.00 H new ATOM 690 N LYS A 47 5.713 8.246 0.434 1.00 0.00 N ATOM 691 CA LYS A 47 6.959 8.872 0.797 1.00 0.00 C ATOM 692 C LYS A 47 7.123 8.792 2.318 1.00 0.00 C ATOM 693 O LYS A 47 6.164 9.056 3.061 1.00 0.00 O ATOM 694 CB LYS A 47 6.992 10.355 0.358 1.00 0.00 C ATOM 695 CG LYS A 47 5.754 11.135 0.778 1.00 0.00 C ATOM 696 CD LYS A 47 5.925 12.641 0.682 1.00 0.00 C ATOM 697 CE LYS A 47 6.759 13.173 1.830 1.00 0.00 C ATOM 698 NZ LYS A 47 6.873 14.640 1.798 1.00 0.00 N ATOM 0 H LYS A 47 4.918 8.591 0.971 1.00 0.00 H new ATOM 0 HA LYS A 47 7.772 8.351 0.292 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.875 10.833 0.782 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.093 10.404 -0.726 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.914 10.832 0.153 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.499 10.871 1.804 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.401 12.896 -0.265 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.947 13.122 0.687 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.312 12.865 2.775 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.755 12.731 1.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.506 14.956 2.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.260 14.938 0.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.933 15.064 1.931 1.00 0.00 H new ATOM 712 N PRO A 48 8.290 8.377 2.812 1.00 0.00 N ATOM 713 CA PRO A 48 8.557 8.362 4.247 1.00 0.00 C ATOM 714 C PRO A 48 8.755 9.782 4.783 1.00 0.00 C ATOM 715 O PRO A 48 9.621 10.527 4.291 1.00 0.00 O ATOM 716 CB PRO A 48 9.870 7.568 4.380 1.00 0.00 C ATOM 717 CG PRO A 48 10.132 6.982 3.029 1.00 0.00 C ATOM 718 CD PRO A 48 9.425 7.854 2.038 1.00 0.00 C ATOM 0 HA PRO A 48 7.732 7.926 4.811 1.00 0.00 H new ATOM 0 HB2 PRO A 48 10.689 8.217 4.690 1.00 0.00 H new ATOM 0 HB3 PRO A 48 9.779 6.786 5.134 1.00 0.00 H new ATOM 0 HG2 PRO A 48 11.202 6.949 2.822 1.00 0.00 H new ATOM 0 HG3 PRO A 48 9.765 5.957 2.974 1.00 0.00 H new ATOM 0 HD2 PRO A 48 10.068 8.655 1.673 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.094 7.289 1.167 1.00 0.00 H new ATOM 726 N GLU A 49 7.943 10.159 5.743 1.00 0.00 N ATOM 727 CA GLU A 49 8.024 11.453 6.397 1.00 0.00 C ATOM 728 C GLU A 49 7.255 11.352 7.696 1.00 0.00 C ATOM 729 O GLU A 49 6.139 10.836 7.711 1.00 0.00 O ATOM 730 CB GLU A 49 7.441 12.571 5.508 1.00 0.00 C ATOM 731 CG GLU A 49 7.614 13.972 6.089 1.00 0.00 C ATOM 732 CD GLU A 49 7.098 15.063 5.184 1.00 0.00 C ATOM 733 OE1 GLU A 49 7.790 15.410 4.194 1.00 0.00 O ATOM 734 OE2 GLU A 49 6.016 15.611 5.441 1.00 0.00 O ATOM 0 H GLU A 49 7.193 9.568 6.101 1.00 0.00 H new ATOM 0 HA GLU A 49 9.067 11.711 6.583 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.920 12.532 4.530 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.379 12.381 5.351 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.094 14.027 7.046 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.671 14.146 6.290 1.00 0.00 H new ATOM 741 N ASN A 50 7.844 11.794 8.772 1.00 0.00 N ATOM 742 CA ASN A 50 7.200 11.689 10.062 1.00 0.00 C ATOM 743 C ASN A 50 6.789 13.061 10.554 1.00 0.00 C ATOM 744 O ASN A 50 7.625 13.979 10.649 1.00 0.00 O ATOM 745 CB ASN A 50 8.116 10.999 11.089 1.00 0.00 C ATOM 746 CG ASN A 50 7.422 10.722 12.424 1.00 0.00 C ATOM 747 OD1 ASN A 50 7.425 11.555 13.341 1.00 0.00 O ATOM 748 ND2 ASN A 50 6.837 9.553 12.555 1.00 0.00 N ATOM 0 H ASN A 50 8.766 12.230 8.787 1.00 0.00 H new ATOM 0 HA ASN A 50 6.308 11.074 9.946 1.00 0.00 H new ATOM 0 HB2 ASN A 50 8.476 10.058 10.672 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.991 11.625 11.264 1.00 0.00 H new ATOM 0 HD21 ASN A 50 6.369 9.312 13.429 1.00 0.00 H new ATOM 0 HD22 ASN A 50 6.850 8.887 11.783 1.00 0.00 H new ATOM 755 N ALA A 51 5.520 13.203 10.834 1.00 0.00 N ATOM 756 CA ALA A 51 4.936 14.432 11.333 1.00 0.00 C ATOM 757 C ALA A 51 3.618 14.081 11.989 1.00 0.00 C ATOM 758 O ALA A 51 3.209 12.907 11.953 1.00 0.00 O ATOM 759 CB ALA A 51 4.726 15.437 10.199 1.00 0.00 C ATOM 0 H ALA A 51 4.841 12.450 10.720 1.00 0.00 H new ATOM 0 HA ALA A 51 5.606 14.900 12.055 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.287 16.351 10.599 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.685 15.668 9.736 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.056 15.009 9.453 1.00 0.00 H new ATOM 765 N THR A 52 2.950 15.041 12.557 1.00 0.00 N ATOM 766 CA THR A 52 1.708 14.792 13.223 1.00 0.00 C ATOM 767 C THR A 52 0.516 15.342 12.442 1.00 0.00 C ATOM 768 O THR A 52 0.654 16.252 11.645 1.00 0.00 O ATOM 769 CB THR A 52 1.733 15.328 14.679 1.00 0.00 C ATOM 770 OG1 THR A 52 2.576 16.497 14.780 1.00 0.00 O ATOM 771 CG2 THR A 52 2.214 14.265 15.643 1.00 0.00 C ATOM 0 H THR A 52 3.250 16.016 12.571 1.00 0.00 H new ATOM 0 HA THR A 52 1.581 13.710 13.270 1.00 0.00 H new ATOM 0 HB THR A 52 0.713 15.603 14.946 1.00 0.00 H new ATOM 0 HG1 THR A 52 2.627 16.940 13.907 1.00 0.00 H new ATOM 0 HG21 THR A 52 2.221 14.669 16.656 1.00 0.00 H new ATOM 0 HG22 THR A 52 1.545 13.405 15.600 1.00 0.00 H new ATOM 0 HG23 THR A 52 3.222 13.955 15.369 1.00 0.00 H new ATOM 779 N PHE A 53 -0.614 14.730 12.614 1.00 0.00 N ATOM 780 CA PHE A 53 -1.837 15.173 12.007 1.00 0.00 C ATOM 781 C PHE A 53 -2.855 15.429 13.094 1.00 0.00 C ATOM 782 O PHE A 53 -3.142 14.542 13.904 1.00 0.00 O ATOM 783 CB PHE A 53 -2.363 14.124 11.012 1.00 0.00 C ATOM 784 CG PHE A 53 -3.695 14.472 10.399 1.00 0.00 C ATOM 785 CD1 PHE A 53 -3.781 15.405 9.381 1.00 0.00 C ATOM 786 CD2 PHE A 53 -4.862 13.864 10.847 1.00 0.00 C ATOM 787 CE1 PHE A 53 -4.999 15.726 8.822 1.00 0.00 C ATOM 788 CE2 PHE A 53 -6.083 14.183 10.293 1.00 0.00 C ATOM 789 CZ PHE A 53 -6.152 15.113 9.280 1.00 0.00 C ATOM 0 H PHE A 53 -0.718 13.894 13.189 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.654 16.093 11.452 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.631 13.995 10.215 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.450 13.165 11.523 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.884 15.887 9.021 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.811 13.132 11.640 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.054 16.455 8.027 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.982 13.705 10.652 1.00 0.00 H new ATOM 0 HZ PHE A 53 -7.107 15.364 8.842 1.00 0.00 H new ATOM 799 N VAL A 54 -3.376 16.621 13.127 1.00 0.00 N ATOM 800 CA VAL A 54 -4.359 17.003 14.110 1.00 0.00 C ATOM 801 C VAL A 54 -5.731 17.012 13.463 1.00 0.00 C ATOM 802 O VAL A 54 -6.031 17.889 12.643 1.00 0.00 O ATOM 803 CB VAL A 54 -4.076 18.422 14.691 1.00 0.00 C ATOM 804 CG1 VAL A 54 -5.068 18.769 15.800 1.00 0.00 C ATOM 805 CG2 VAL A 54 -2.648 18.539 15.202 1.00 0.00 C ATOM 0 H VAL A 54 -3.132 17.363 12.471 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.313 16.281 14.926 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.203 19.137 13.878 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.848 19.764 16.187 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.082 18.752 15.400 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.983 18.039 16.605 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.485 19.541 15.600 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.482 17.804 15.990 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.952 18.356 14.383 1.00 0.00 H new ATOM 815 N ASN A 55 -6.521 16.014 13.757 1.00 0.00 N ATOM 816 CA ASN A 55 -7.891 15.972 13.276 1.00 0.00 C ATOM 817 C ASN A 55 -8.719 16.913 14.115 1.00 0.00 C ATOM 818 O ASN A 55 -8.764 16.762 15.335 1.00 0.00 O ATOM 819 CB ASN A 55 -8.481 14.559 13.356 1.00 0.00 C ATOM 820 CG ASN A 55 -9.955 14.530 12.964 1.00 0.00 C ATOM 821 OD1 ASN A 55 -10.425 15.339 12.167 1.00 0.00 O ATOM 822 ND2 ASN A 55 -10.697 13.627 13.530 1.00 0.00 N ATOM 0 H ASN A 55 -6.246 15.214 14.328 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.901 16.272 12.228 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -7.919 13.894 12.700 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -8.368 14.176 14.370 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -11.693 13.578 13.316 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -10.284 12.967 14.188 1.00 0.00 H new ATOM 829 N GLY A 56 -9.374 17.854 13.497 1.00 0.00 N ATOM 830 CA GLY A 56 -10.120 18.802 14.269 1.00 0.00 C ATOM 831 C GLY A 56 -11.357 19.281 13.582 1.00 0.00 C ATOM 832 O GLY A 56 -11.847 20.378 13.870 1.00 0.00 O ATOM 0 H GLY A 56 -9.407 17.984 12.486 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.394 18.349 15.222 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.484 19.658 14.495 1.00 0.00 H new ATOM 836 N ASN A 57 -11.874 18.493 12.674 1.00 0.00 N ATOM 837 CA ASN A 57 -13.090 18.887 11.979 1.00 0.00 C ATOM 838 C ASN A 57 -14.247 17.966 12.328 1.00 0.00 C ATOM 839 O ASN A 57 -15.323 18.427 12.715 1.00 0.00 O ATOM 840 CB ASN A 57 -12.879 18.929 10.466 1.00 0.00 C ATOM 841 CG ASN A 57 -14.120 19.370 9.704 1.00 0.00 C ATOM 842 OD1 ASN A 57 -14.926 20.164 10.190 1.00 0.00 O ATOM 843 ND2 ASN A 57 -14.280 18.858 8.518 1.00 0.00 N ATOM 0 H ASN A 57 -11.487 17.591 12.397 1.00 0.00 H new ATOM 0 HA ASN A 57 -13.342 19.893 12.314 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -12.059 19.610 10.238 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -12.579 17.940 10.119 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -15.094 19.112 7.959 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -13.591 18.203 8.148 1.00 0.00 H new ATOM 850 N GLN A 58 -14.025 16.675 12.215 1.00 0.00 N ATOM 851 CA GLN A 58 -15.054 15.690 12.482 1.00 0.00 C ATOM 852 C GLN A 58 -14.368 14.373 12.790 1.00 0.00 C ATOM 853 O GLN A 58 -13.179 14.247 12.539 1.00 0.00 O ATOM 854 CB GLN A 58 -15.944 15.482 11.234 1.00 0.00 C ATOM 855 CG GLN A 58 -15.184 14.934 10.027 1.00 0.00 C ATOM 856 CD GLN A 58 -16.091 14.352 8.973 1.00 0.00 C ATOM 857 OE1 GLN A 58 -16.538 15.040 8.055 1.00 0.00 O ATOM 858 NE2 GLN A 58 -16.374 13.079 9.091 1.00 0.00 N ATOM 0 H GLN A 58 -13.128 16.277 11.936 1.00 0.00 H new ATOM 0 HA GLN A 58 -15.673 16.031 13.312 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -16.754 14.797 11.485 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -16.404 16.432 10.963 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -14.590 15.734 9.585 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -14.486 14.166 10.362 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -15.986 12.540 9.865 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -16.983 12.627 8.409 1.00 0.00 H new ATOM 867 N PRO A 59 -15.066 13.391 13.359 1.00 0.00 N ATOM 868 CA PRO A 59 -14.523 12.054 13.481 1.00 0.00 C ATOM 869 C PRO A 59 -14.440 11.443 12.077 1.00 0.00 C ATOM 870 O PRO A 59 -15.442 11.435 11.323 1.00 0.00 O ATOM 871 CB PRO A 59 -15.550 11.314 14.352 1.00 0.00 C ATOM 872 CG PRO A 59 -16.398 12.384 14.947 1.00 0.00 C ATOM 873 CD PRO A 59 -16.402 13.494 13.950 1.00 0.00 C ATOM 0 HA PRO A 59 -13.525 12.010 13.918 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -16.147 10.623 13.756 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -15.058 10.725 15.126 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -17.409 12.023 15.136 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -15.995 12.717 15.903 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -17.187 13.367 13.204 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -16.564 14.463 14.422 1.00 0.00 H new ATOM 881 N ILE A 60 -13.280 10.982 11.708 1.00 0.00 N ATOM 882 CA ILE A 60 -13.047 10.515 10.356 1.00 0.00 C ATOM 883 C ILE A 60 -12.923 9.002 10.340 1.00 0.00 C ATOM 884 O ILE A 60 -12.167 8.432 11.131 1.00 0.00 O ATOM 885 CB ILE A 60 -11.731 11.113 9.773 1.00 0.00 C ATOM 886 CG1 ILE A 60 -11.681 12.641 9.943 1.00 0.00 C ATOM 887 CG2 ILE A 60 -11.595 10.754 8.297 1.00 0.00 C ATOM 888 CD1 ILE A 60 -10.381 13.268 9.473 1.00 0.00 C ATOM 0 H ILE A 60 -12.470 10.916 12.324 1.00 0.00 H new ATOM 0 HA ILE A 60 -13.894 10.837 9.749 1.00 0.00 H new ATOM 0 HB ILE A 60 -10.899 10.682 10.330 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -12.509 13.086 9.390 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -11.832 12.885 10.994 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -10.671 11.178 7.903 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -11.572 9.670 8.187 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -12.444 11.157 7.745 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -10.421 14.347 9.625 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -9.550 12.852 10.042 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -10.237 13.056 8.414 1.00 0.00 H new ATOM 900 N VAL A 61 -13.649 8.352 9.460 1.00 0.00 N ATOM 901 CA VAL A 61 -13.545 6.941 9.311 1.00 0.00 C ATOM 902 C VAL A 61 -12.203 6.573 8.711 1.00 0.00 C ATOM 903 O VAL A 61 -11.818 7.039 7.629 1.00 0.00 O ATOM 904 CB VAL A 61 -14.727 6.361 8.508 1.00 0.00 C ATOM 905 CG1 VAL A 61 -14.452 4.942 8.069 1.00 0.00 C ATOM 906 CG2 VAL A 61 -15.943 6.374 9.389 1.00 0.00 C ATOM 0 H VAL A 61 -14.322 8.795 8.835 1.00 0.00 H new ATOM 0 HA VAL A 61 -13.601 6.487 10.300 1.00 0.00 H new ATOM 0 HB VAL A 61 -14.879 6.967 7.615 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -15.305 4.564 7.506 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -13.563 4.922 7.438 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -14.289 4.315 8.946 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -16.793 5.968 8.841 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -15.757 5.766 10.274 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -16.162 7.398 9.692 1.00 0.00 H new ATOM 916 N THR A 62 -11.506 5.776 9.433 1.00 0.00 N ATOM 917 CA THR A 62 -10.202 5.363 9.111 1.00 0.00 C ATOM 918 C THR A 62 -10.279 3.998 8.398 1.00 0.00 C ATOM 919 O THR A 62 -11.266 3.263 8.554 1.00 0.00 O ATOM 920 CB THR A 62 -9.429 5.236 10.421 1.00 0.00 C ATOM 921 OG1 THR A 62 -9.936 6.225 11.344 1.00 0.00 O ATOM 922 CG2 THR A 62 -7.998 5.545 10.178 1.00 0.00 C ATOM 0 H THR A 62 -11.851 5.378 10.306 1.00 0.00 H new ATOM 0 HA THR A 62 -9.705 6.075 8.452 1.00 0.00 H new ATOM 0 HB THR A 62 -9.540 4.227 10.817 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.452 6.158 12.194 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.443 5.455 11.112 1.00 0.00 H new ATOM 0 HG22 THR A 62 -7.594 4.845 9.447 1.00 0.00 H new ATOM 0 HG23 THR A 62 -7.905 6.562 9.797 1.00 0.00 H new ATOM 930 N ARG A 63 -9.283 3.677 7.610 1.00 0.00 N ATOM 931 CA ARG A 63 -9.274 2.439 6.867 1.00 0.00 C ATOM 932 C ARG A 63 -8.184 1.543 7.413 1.00 0.00 C ATOM 933 O ARG A 63 -7.096 2.020 7.766 1.00 0.00 O ATOM 934 CB ARG A 63 -9.049 2.716 5.390 1.00 0.00 C ATOM 935 CG ARG A 63 -10.029 3.724 4.797 1.00 0.00 C ATOM 936 CD ARG A 63 -11.474 3.253 4.822 1.00 0.00 C ATOM 937 NE ARG A 63 -12.373 4.308 4.325 1.00 0.00 N ATOM 938 CZ ARG A 63 -13.459 4.132 3.555 1.00 0.00 C ATOM 939 NH1 ARG A 63 -13.809 2.914 3.130 1.00 0.00 N ATOM 940 NH2 ARG A 63 -14.190 5.190 3.205 1.00 0.00 N ATOM 0 H ARG A 63 -8.460 4.262 7.465 1.00 0.00 H new ATOM 0 HA ARG A 63 -10.237 1.939 6.975 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -8.033 3.085 5.250 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -9.127 1.779 4.838 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.951 4.661 5.348 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.742 3.935 3.767 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.581 2.358 4.209 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -11.755 2.978 5.839 1.00 0.00 H new ATOM 0 HE ARG A 63 -12.149 5.267 4.592 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -13.248 2.102 3.390 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -14.637 2.796 2.546 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -13.923 6.122 3.522 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -15.017 5.068 2.620 1.00 0.00 H new ATOM 954 N ILE A 64 -8.458 0.269 7.481 1.00 0.00 N ATOM 955 CA ILE A 64 -7.548 -0.663 8.118 1.00 0.00 C ATOM 956 C ILE A 64 -6.847 -1.598 7.121 1.00 0.00 C ATOM 957 O ILE A 64 -7.501 -2.335 6.370 1.00 0.00 O ATOM 958 CB ILE A 64 -8.302 -1.509 9.189 1.00 0.00 C ATOM 959 CG1 ILE A 64 -8.903 -0.589 10.266 1.00 0.00 C ATOM 960 CG2 ILE A 64 -7.377 -2.555 9.822 1.00 0.00 C ATOM 961 CD1 ILE A 64 -9.736 -1.309 11.305 1.00 0.00 C ATOM 0 H ILE A 64 -9.305 -0.155 7.104 1.00 0.00 H new ATOM 0 HA ILE A 64 -6.773 -0.061 8.593 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.113 -2.043 8.693 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -8.093 -0.060 10.769 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.522 0.165 9.779 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.931 -3.129 10.565 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.004 -3.226 9.049 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -6.537 -2.054 10.303 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -10.122 -0.588 12.026 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -10.569 -1.815 10.817 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -9.118 -2.043 11.822 1.00 0.00 H new ATOM 973 N GLY A 65 -5.522 -1.527 7.107 1.00 0.00 N ATOM 974 CA GLY A 65 -4.697 -2.474 6.377 1.00 0.00 C ATOM 975 C GLY A 65 -4.357 -2.107 4.949 1.00 0.00 C ATOM 976 O GLY A 65 -3.372 -2.613 4.400 1.00 0.00 O ATOM 0 H GLY A 65 -4.991 -0.810 7.602 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.765 -2.610 6.926 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -5.207 -3.437 6.370 1.00 0.00 H new ATOM 980 N SER A 66 -5.133 -1.264 4.320 1.00 0.00 N ATOM 981 CA SER A 66 -4.865 -0.912 2.934 1.00 0.00 C ATOM 982 C SER A 66 -5.438 0.449 2.591 1.00 0.00 C ATOM 983 O SER A 66 -6.509 0.803 3.076 1.00 0.00 O ATOM 984 CB SER A 66 -5.478 -1.967 1.993 1.00 0.00 C ATOM 985 OG SER A 66 -4.941 -3.260 2.241 1.00 0.00 O ATOM 0 H SER A 66 -5.948 -0.809 4.731 1.00 0.00 H new ATOM 0 HA SER A 66 -3.783 -0.879 2.804 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.560 -1.989 2.125 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.289 -1.686 0.957 1.00 0.00 H new ATOM 0 HG SER A 66 -4.211 -3.437 1.611 1.00 0.00 H new ATOM 991 N PRO A 67 -4.717 1.264 1.807 1.00 0.00 N ATOM 992 CA PRO A 67 -5.256 2.495 1.299 1.00 0.00 C ATOM 993 C PRO A 67 -5.946 2.270 -0.058 1.00 0.00 C ATOM 994 O PRO A 67 -5.321 1.858 -1.040 1.00 0.00 O ATOM 995 CB PRO A 67 -4.022 3.395 1.141 1.00 0.00 C ATOM 996 CG PRO A 67 -2.825 2.476 1.155 1.00 0.00 C ATOM 997 CD PRO A 67 -3.322 1.072 1.396 1.00 0.00 C ATOM 0 HA PRO A 67 -6.013 2.927 1.953 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -4.069 3.959 0.210 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.964 4.122 1.951 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -2.288 2.534 0.208 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -2.125 2.773 1.936 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.250 0.461 0.496 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -2.742 0.569 2.170 1.00 0.00 H new ATOM 1005 N PHE A 68 -7.212 2.573 -0.092 1.00 0.00 N ATOM 1006 CA PHE A 68 -8.094 2.454 -1.241 1.00 0.00 C ATOM 1007 C PHE A 68 -9.278 3.299 -0.930 1.00 0.00 C ATOM 1008 O PHE A 68 -9.507 3.614 0.235 1.00 0.00 O ATOM 1009 CB PHE A 68 -8.617 1.009 -1.482 1.00 0.00 C ATOM 1010 CG PHE A 68 -7.644 0.013 -2.041 1.00 0.00 C ATOM 1011 CD1 PHE A 68 -7.286 0.060 -3.379 1.00 0.00 C ATOM 1012 CD2 PHE A 68 -7.111 -0.983 -1.243 1.00 0.00 C ATOM 1013 CE1 PHE A 68 -6.409 -0.865 -3.908 1.00 0.00 C ATOM 1014 CE2 PHE A 68 -6.239 -1.913 -1.767 1.00 0.00 C ATOM 1015 CZ PHE A 68 -5.887 -1.854 -3.101 1.00 0.00 C ATOM 0 H PHE A 68 -7.697 2.934 0.730 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.540 2.748 -2.132 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -8.990 0.622 -0.534 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -9.469 1.066 -2.160 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.698 0.829 -4.015 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.381 -1.033 -0.198 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.132 -0.815 -4.951 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.831 -2.688 -1.134 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.203 -2.582 -3.512 1.00 0.00 H new ATOM 1025 N LEU A 69 -10.049 3.638 -1.919 1.00 0.00 N ATOM 1026 CA LEU A 69 -11.254 4.425 -1.694 1.00 0.00 C ATOM 1027 C LEU A 69 -12.374 3.510 -1.199 1.00 0.00 C ATOM 1028 O LEU A 69 -13.394 3.957 -0.693 1.00 0.00 O ATOM 1029 CB LEU A 69 -11.678 5.134 -2.982 1.00 0.00 C ATOM 1030 CG LEU A 69 -10.621 6.029 -3.644 1.00 0.00 C ATOM 1031 CD1 LEU A 69 -11.184 6.691 -4.879 1.00 0.00 C ATOM 1032 CD2 LEU A 69 -10.092 7.072 -2.669 1.00 0.00 C ATOM 0 H LEU A 69 -9.877 3.389 -2.893 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.049 5.184 -0.939 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -11.987 4.378 -3.704 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -12.555 5.744 -2.764 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.785 5.396 -3.941 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.420 7.321 -5.334 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -11.496 5.927 -5.591 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -12.043 7.303 -4.604 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.345 7.690 -3.167 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.914 7.701 -2.327 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.637 6.573 -1.813 1.00 0.00 H new ATOM 1044 N ASN A 70 -12.144 2.229 -1.350 1.00 0.00 N ATOM 1045 CA ASN A 70 -13.076 1.176 -0.950 1.00 0.00 C ATOM 1046 C ASN A 70 -12.451 0.332 0.147 1.00 0.00 C ATOM 1047 O ASN A 70 -12.889 -0.784 0.417 1.00 0.00 O ATOM 1048 CB ASN A 70 -13.389 0.291 -2.171 1.00 0.00 C ATOM 1049 CG ASN A 70 -12.139 -0.314 -2.801 1.00 0.00 C ATOM 1050 OD1 ASN A 70 -11.502 0.325 -3.640 1.00 0.00 O ATOM 1051 ND2 ASN A 70 -11.782 -1.521 -2.420 1.00 0.00 N ATOM 0 H ASN A 70 -11.284 1.869 -1.764 1.00 0.00 H new ATOM 0 HA ASN A 70 -13.997 1.623 -0.575 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -14.062 -0.511 -1.869 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.916 0.885 -2.918 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -10.953 -1.958 -2.822 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.334 -2.020 -1.723 1.00 0.00 H new ATOM 1058 N ALA A 71 -11.448 0.897 0.794 1.00 0.00 N ATOM 1059 CA ALA A 71 -10.681 0.200 1.817 1.00 0.00 C ATOM 1060 C ALA A 71 -11.546 -0.193 3.024 1.00 0.00 C ATOM 1061 O ALA A 71 -12.492 0.535 3.372 1.00 0.00 O ATOM 1062 CB ALA A 71 -9.520 1.059 2.258 1.00 0.00 C ATOM 0 H ALA A 71 -11.139 1.855 0.626 1.00 0.00 H new ATOM 0 HA ALA A 71 -10.306 -0.725 1.379 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.949 0.534 3.023 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.876 1.267 1.403 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.896 1.997 2.666 1.00 0.00 H new ATOM 1068 N PRO A 72 -11.236 -1.353 3.654 1.00 0.00 N ATOM 1069 CA PRO A 72 -11.963 -1.878 4.825 1.00 0.00 C ATOM 1070 C PRO A 72 -12.179 -0.844 5.938 1.00 0.00 C ATOM 1071 O PRO A 72 -11.241 -0.142 6.370 1.00 0.00 O ATOM 1072 CB PRO A 72 -11.059 -3.001 5.318 1.00 0.00 C ATOM 1073 CG PRO A 72 -10.397 -3.495 4.089 1.00 0.00 C ATOM 1074 CD PRO A 72 -10.153 -2.279 3.247 1.00 0.00 C ATOM 0 HA PRO A 72 -12.971 -2.190 4.553 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -10.332 -2.638 6.044 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.632 -3.789 5.807 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -9.462 -4.003 4.324 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -11.027 -4.214 3.566 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -9.168 -1.852 3.435 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -10.202 -2.511 2.183 1.00 0.00 H new ATOM 1082 N VAL A 73 -13.404 -0.783 6.393 1.00 0.00 N ATOM 1083 CA VAL A 73 -13.846 0.142 7.414 1.00 0.00 C ATOM 1084 C VAL A 73 -13.855 -0.532 8.773 1.00 0.00 C ATOM 1085 O VAL A 73 -13.583 -1.728 8.887 1.00 0.00 O ATOM 1086 CB VAL A 73 -15.250 0.736 7.110 1.00 0.00 C ATOM 1087 CG1 VAL A 73 -15.215 1.567 5.844 1.00 0.00 C ATOM 1088 CG2 VAL A 73 -16.304 -0.359 6.990 1.00 0.00 C ATOM 0 H VAL A 73 -14.148 -1.394 6.055 1.00 0.00 H new ATOM 0 HA VAL A 73 -13.135 0.968 7.420 1.00 0.00 H new ATOM 0 HB VAL A 73 -15.524 1.378 7.947 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -16.207 1.974 5.648 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -14.505 2.385 5.965 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -14.908 0.941 5.006 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -17.274 0.091 6.777 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -16.033 -1.037 6.181 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -16.359 -0.915 7.926 1.00 0.00 H new ATOM 1098 N GLY A 74 -14.131 0.229 9.796 1.00 0.00 N ATOM 1099 CA GLY A 74 -14.151 -0.323 11.126 1.00 0.00 C ATOM 1100 C GLY A 74 -13.135 0.326 12.020 1.00 0.00 C ATOM 1101 O GLY A 74 -12.637 -0.292 12.954 1.00 0.00 O ATOM 0 H GLY A 74 -14.344 1.225 9.738 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -15.145 -0.197 11.556 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -13.958 -1.395 11.077 1.00 0.00 H new ATOM 1105 N GLY A 75 -12.828 1.561 11.724 1.00 0.00 N ATOM 1106 CA GLY A 75 -11.941 2.342 12.524 1.00 0.00 C ATOM 1107 C GLY A 75 -12.344 3.778 12.410 1.00 0.00 C ATOM 1108 O GLY A 75 -12.648 4.237 11.313 1.00 0.00 O ATOM 0 H GLY A 75 -13.195 2.053 10.909 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.983 2.018 13.564 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.912 2.209 12.190 1.00 0.00 H new ATOM 1112 N ASN A 76 -12.442 4.461 13.503 1.00 0.00 N ATOM 1113 CA ASN A 76 -12.825 5.858 13.484 1.00 0.00 C ATOM 1114 C ASN A 76 -11.845 6.694 14.260 1.00 0.00 C ATOM 1115 O ASN A 76 -11.574 6.417 15.438 1.00 0.00 O ATOM 1116 CB ASN A 76 -14.256 6.057 14.012 1.00 0.00 C ATOM 1117 CG ASN A 76 -14.668 7.526 14.108 1.00 0.00 C ATOM 1118 OD1 ASN A 76 -15.151 8.117 13.139 1.00 0.00 O ATOM 1119 ND2 ASN A 76 -14.530 8.105 15.280 1.00 0.00 N ATOM 0 H ASN A 76 -12.263 4.082 14.433 1.00 0.00 H new ATOM 0 HA ASN A 76 -12.808 6.190 12.446 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -14.953 5.534 13.357 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -14.339 5.599 14.998 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -14.826 9.072 15.409 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -14.126 7.587 16.060 1.00 0.00 H new ATOM 1126 N LEU A 77 -11.328 7.700 13.616 1.00 0.00 N ATOM 1127 CA LEU A 77 -10.416 8.616 14.219 1.00 0.00 C ATOM 1128 C LEU A 77 -11.218 9.730 14.868 1.00 0.00 C ATOM 1129 O LEU A 77 -11.881 10.512 14.164 1.00 0.00 O ATOM 1130 CB LEU A 77 -9.471 9.202 13.161 1.00 0.00 C ATOM 1131 CG LEU A 77 -8.451 10.226 13.667 1.00 0.00 C ATOM 1132 CD1 LEU A 77 -7.526 9.599 14.683 1.00 0.00 C ATOM 1133 CD2 LEU A 77 -7.658 10.811 12.516 1.00 0.00 C ATOM 0 H LEU A 77 -11.535 7.907 12.639 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.814 8.099 14.966 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.930 8.381 12.691 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -10.074 9.672 12.384 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.996 11.036 14.151 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.809 10.343 15.030 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.108 9.234 15.529 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.992 8.767 14.224 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.940 11.536 12.900 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.126 10.013 11.998 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.336 11.306 11.821 1.00 0.00 H new ATOM 1145 N PRO A 78 -11.220 9.805 16.203 1.00 0.00 N ATOM 1146 CA PRO A 78 -11.967 10.823 16.918 1.00 0.00 C ATOM 1147 C PRO A 78 -11.468 12.238 16.616 1.00 0.00 C ATOM 1148 O PRO A 78 -10.292 12.450 16.246 1.00 0.00 O ATOM 1149 CB PRO A 78 -11.756 10.479 18.398 1.00 0.00 C ATOM 1150 CG PRO A 78 -10.541 9.626 18.433 1.00 0.00 C ATOM 1151 CD PRO A 78 -10.508 8.894 17.128 1.00 0.00 C ATOM 0 HA PRO A 78 -13.016 10.824 16.623 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -11.621 11.380 18.996 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -12.618 9.952 18.806 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -9.644 10.231 18.563 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -10.579 8.929 19.270 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -9.486 8.706 16.799 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -11.003 7.926 17.198 1.00 0.00 H new ATOM 1159 N ALA A 79 -12.354 13.184 16.730 1.00 0.00 N ATOM 1160 CA ALA A 79 -12.021 14.565 16.513 1.00 0.00 C ATOM 1161 C ALA A 79 -11.248 15.079 17.713 1.00 0.00 C ATOM 1162 O ALA A 79 -11.574 14.735 18.860 1.00 0.00 O ATOM 1163 CB ALA A 79 -13.277 15.377 16.286 1.00 0.00 C ATOM 0 H ALA A 79 -13.330 13.021 16.976 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.400 14.661 15.623 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -13.011 16.421 16.123 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.803 14.996 15.411 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -13.923 15.300 17.160 1.00 0.00 H new ATOM 1169 N GLY A 80 -10.219 15.847 17.463 1.00 0.00 N ATOM 1170 CA GLY A 80 -9.398 16.365 18.528 1.00 0.00 C ATOM 1171 C GLY A 80 -8.192 15.488 18.772 1.00 0.00 C ATOM 1172 O GLY A 80 -7.408 15.729 19.690 1.00 0.00 O ATOM 0 H GLY A 80 -9.928 16.129 16.527 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.071 17.375 18.279 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.988 16.437 19.442 1.00 0.00 H new ATOM 1176 N ALA A 81 -8.047 14.463 17.963 1.00 0.00 N ATOM 1177 CA ALA A 81 -6.946 13.540 18.097 1.00 0.00 C ATOM 1178 C ALA A 81 -5.781 13.942 17.208 1.00 0.00 C ATOM 1179 O ALA A 81 -5.968 14.374 16.063 1.00 0.00 O ATOM 1180 CB ALA A 81 -7.393 12.120 17.784 1.00 0.00 C ATOM 0 H ALA A 81 -8.686 14.247 17.198 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.606 13.574 19.132 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.548 11.440 17.891 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.184 11.827 18.475 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.768 12.074 16.762 1.00 0.00 H new ATOM 1186 N THR A 82 -4.597 13.819 17.738 1.00 0.00 N ATOM 1187 CA THR A 82 -3.388 14.107 17.020 1.00 0.00 C ATOM 1188 C THR A 82 -2.612 12.805 16.829 1.00 0.00 C ATOM 1189 O THR A 82 -2.157 12.192 17.801 1.00 0.00 O ATOM 1190 CB THR A 82 -2.539 15.131 17.794 1.00 0.00 C ATOM 1191 OG1 THR A 82 -3.354 16.285 18.068 1.00 0.00 O ATOM 1192 CG2 THR A 82 -1.311 15.549 16.987 1.00 0.00 C ATOM 0 H THR A 82 -4.442 13.510 18.698 1.00 0.00 H new ATOM 0 HA THR A 82 -3.629 14.536 16.047 1.00 0.00 H new ATOM 0 HB THR A 82 -2.192 14.678 18.723 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.828 16.947 18.563 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.730 16.273 17.558 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.697 14.673 16.779 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.629 16.000 16.047 1.00 0.00 H new ATOM 1200 N ILE A 83 -2.494 12.378 15.604 1.00 0.00 N ATOM 1201 CA ILE A 83 -1.848 11.120 15.289 1.00 0.00 C ATOM 1202 C ILE A 83 -0.533 11.396 14.595 1.00 0.00 C ATOM 1203 O ILE A 83 -0.446 12.314 13.784 1.00 0.00 O ATOM 1204 CB ILE A 83 -2.750 10.255 14.355 1.00 0.00 C ATOM 1205 CG1 ILE A 83 -4.127 10.019 14.991 1.00 0.00 C ATOM 1206 CG2 ILE A 83 -2.092 8.920 14.009 1.00 0.00 C ATOM 1207 CD1 ILE A 83 -4.102 9.291 16.325 1.00 0.00 C ATOM 0 H ILE A 83 -2.840 12.886 14.790 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.678 10.572 16.216 1.00 0.00 H new ATOM 0 HB ILE A 83 -2.882 10.813 13.428 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.617 10.983 15.129 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.740 9.447 14.294 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.752 8.347 13.357 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.146 9.102 13.499 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.908 8.357 14.924 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -5.121 9.172 16.694 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.646 8.310 16.195 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -3.521 9.869 17.044 1.00 0.00 H new ATOM 1219 N VAL A 84 0.480 10.642 14.925 1.00 0.00 N ATOM 1220 CA VAL A 84 1.756 10.780 14.273 1.00 0.00 C ATOM 1221 C VAL A 84 1.857 9.766 13.136 1.00 0.00 C ATOM 1222 O VAL A 84 1.594 8.581 13.327 1.00 0.00 O ATOM 1223 CB VAL A 84 2.960 10.659 15.270 1.00 0.00 C ATOM 1224 CG1 VAL A 84 3.007 9.313 15.989 1.00 0.00 C ATOM 1225 CG2 VAL A 84 4.279 10.946 14.571 1.00 0.00 C ATOM 0 H VAL A 84 0.447 9.921 15.646 1.00 0.00 H new ATOM 0 HA VAL A 84 1.819 11.786 13.859 1.00 0.00 H new ATOM 0 HB VAL A 84 2.800 11.416 16.038 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.862 9.291 16.665 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.089 9.174 16.560 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.103 8.512 15.256 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.097 10.855 15.286 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.424 10.232 13.761 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.263 11.957 14.165 1.00 0.00 H new ATOM 1235 N TYR A 85 2.174 10.236 11.961 1.00 0.00 N ATOM 1236 CA TYR A 85 2.269 9.369 10.811 1.00 0.00 C ATOM 1237 C TYR A 85 3.704 9.225 10.377 1.00 0.00 C ATOM 1238 O TYR A 85 4.530 10.108 10.636 1.00 0.00 O ATOM 1239 CB TYR A 85 1.374 9.846 9.652 1.00 0.00 C ATOM 1240 CG TYR A 85 1.648 11.257 9.148 1.00 0.00 C ATOM 1241 CD1 TYR A 85 2.630 11.501 8.197 1.00 0.00 C ATOM 1242 CD2 TYR A 85 0.910 12.340 9.615 1.00 0.00 C ATOM 1243 CE1 TYR A 85 2.868 12.773 7.727 1.00 0.00 C ATOM 1244 CE2 TYR A 85 1.146 13.619 9.148 1.00 0.00 C ATOM 1245 CZ TYR A 85 2.127 13.828 8.203 1.00 0.00 C ATOM 1246 OH TYR A 85 2.365 15.100 7.728 1.00 0.00 O ATOM 0 H TYR A 85 2.372 11.218 11.771 1.00 0.00 H new ATOM 0 HA TYR A 85 1.900 8.386 11.105 1.00 0.00 H new ATOM 0 HB2 TYR A 85 1.489 9.153 8.819 1.00 0.00 H new ATOM 0 HB3 TYR A 85 0.334 9.789 9.973 1.00 0.00 H new ATOM 0 HD1 TYR A 85 3.218 10.678 7.819 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.140 12.178 10.355 1.00 0.00 H new ATOM 0 HE1 TYR A 85 3.635 12.941 6.986 1.00 0.00 H new ATOM 0 HE2 TYR A 85 0.565 14.450 9.521 1.00 0.00 H new ATOM 0 HH TYR A 85 1.695 15.327 7.050 1.00 0.00 H new ATOM 1256 N ASP A 86 4.005 8.125 9.728 1.00 0.00 N ATOM 1257 CA ASP A 86 5.366 7.846 9.297 1.00 0.00 C ATOM 1258 C ASP A 86 5.465 7.783 7.780 1.00 0.00 C ATOM 1259 O ASP A 86 6.576 7.746 7.209 1.00 0.00 O ATOM 1260 CB ASP A 86 5.878 6.519 9.909 1.00 0.00 C ATOM 1261 CG ASP A 86 5.133 5.263 9.436 1.00 0.00 C ATOM 1262 OD1 ASP A 86 5.401 4.767 8.316 1.00 0.00 O ATOM 1263 OD2 ASP A 86 4.297 4.719 10.184 1.00 0.00 O ATOM 0 H ASP A 86 3.327 7.403 9.483 1.00 0.00 H new ATOM 0 HA ASP A 86 5.992 8.665 9.651 1.00 0.00 H new ATOM 0 HB2 ASP A 86 6.936 6.409 9.670 1.00 0.00 H new ATOM 0 HB3 ASP A 86 5.802 6.582 10.994 1.00 0.00 H new ATOM 1268 N GLU A 87 4.338 7.797 7.131 1.00 0.00 N ATOM 1269 CA GLU A 87 4.272 7.619 5.710 1.00 0.00 C ATOM 1270 C GLU A 87 3.159 8.472 5.135 1.00 0.00 C ATOM 1271 O GLU A 87 2.053 8.501 5.671 1.00 0.00 O ATOM 1272 CB GLU A 87 4.009 6.138 5.465 1.00 0.00 C ATOM 1273 CG GLU A 87 3.816 5.683 4.038 1.00 0.00 C ATOM 1274 CD GLU A 87 3.578 4.186 3.992 1.00 0.00 C ATOM 1275 OE1 GLU A 87 2.510 3.719 4.457 1.00 0.00 O ATOM 1276 OE2 GLU A 87 4.468 3.437 3.558 1.00 0.00 O ATOM 0 H GLU A 87 3.431 7.933 7.577 1.00 0.00 H new ATOM 0 HA GLU A 87 5.199 7.926 5.225 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.843 5.576 5.886 1.00 0.00 H new ATOM 0 HB3 GLU A 87 3.119 5.858 6.029 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.970 6.207 3.593 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.695 5.937 3.446 1.00 0.00 H new ATOM 1283 N VAL A 88 3.465 9.195 4.095 1.00 0.00 N ATOM 1284 CA VAL A 88 2.478 9.987 3.393 1.00 0.00 C ATOM 1285 C VAL A 88 2.270 9.303 2.066 1.00 0.00 C ATOM 1286 O VAL A 88 3.237 9.071 1.347 1.00 0.00 O ATOM 1287 CB VAL A 88 2.976 11.436 3.136 1.00 0.00 C ATOM 1288 CG1 VAL A 88 1.877 12.294 2.532 1.00 0.00 C ATOM 1289 CG2 VAL A 88 3.522 12.068 4.401 1.00 0.00 C ATOM 0 H VAL A 88 4.405 9.256 3.704 1.00 0.00 H new ATOM 0 HA VAL A 88 1.565 10.059 3.985 1.00 0.00 H new ATOM 0 HB VAL A 88 3.793 11.378 2.416 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.254 13.303 2.363 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.558 11.862 1.583 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.029 12.334 3.216 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.861 13.081 4.184 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.739 12.102 5.158 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.359 11.476 4.771 1.00 0.00 H new ATOM 1299 N CYS A 89 1.060 8.956 1.741 1.00 0.00 N ATOM 1300 CA CYS A 89 0.829 8.213 0.535 1.00 0.00 C ATOM 1301 C CYS A 89 -0.385 8.711 -0.236 1.00 0.00 C ATOM 1302 O CYS A 89 -1.333 9.203 0.344 1.00 0.00 O ATOM 1303 CB CYS A 89 0.714 6.731 0.874 1.00 0.00 C ATOM 1304 SG CYS A 89 -0.563 6.325 2.076 1.00 0.00 S ATOM 0 H CYS A 89 0.225 9.172 2.286 1.00 0.00 H new ATOM 0 HA CYS A 89 1.680 8.365 -0.129 1.00 0.00 H new ATOM 0 HB2 CYS A 89 0.517 6.177 -0.044 1.00 0.00 H new ATOM 0 HB3 CYS A 89 1.675 6.385 1.255 1.00 0.00 H new ATOM 0 HG CYS A 89 -0.888 7.393 2.742 1.00 0.00 H new ATOM 1310 N ILE A 90 -0.336 8.596 -1.539 1.00 0.00 N ATOM 1311 CA ILE A 90 -1.423 9.016 -2.392 1.00 0.00 C ATOM 1312 C ILE A 90 -2.092 7.812 -3.040 1.00 0.00 C ATOM 1313 O ILE A 90 -1.431 6.980 -3.680 1.00 0.00 O ATOM 1314 CB ILE A 90 -0.967 10.016 -3.517 1.00 0.00 C ATOM 1315 CG1 ILE A 90 -0.418 11.320 -2.913 1.00 0.00 C ATOM 1316 CG2 ILE A 90 -2.124 10.326 -4.484 1.00 0.00 C ATOM 1317 CD1 ILE A 90 0.057 12.332 -3.948 1.00 0.00 C ATOM 0 H ILE A 90 0.462 8.207 -2.042 1.00 0.00 H new ATOM 0 HA ILE A 90 -2.130 9.538 -1.747 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.167 9.533 -4.078 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.194 11.779 -2.301 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.412 11.079 -2.248 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.781 11.020 -5.252 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.462 9.403 -4.954 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.949 10.775 -3.932 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.429 13.223 -3.442 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.856 11.894 -4.545 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.774 12.605 -4.598 1.00 0.00 H new ATOM 1329 N GLN A 91 -3.376 7.715 -2.832 1.00 0.00 N ATOM 1330 CA GLN A 91 -4.224 6.761 -3.494 1.00 0.00 C ATOM 1331 C GLN A 91 -5.307 7.612 -4.118 1.00 0.00 C ATOM 1332 O GLN A 91 -6.124 8.194 -3.391 1.00 0.00 O ATOM 1333 CB GLN A 91 -4.804 5.740 -2.494 1.00 0.00 C ATOM 1334 CG GLN A 91 -5.758 4.714 -3.096 1.00 0.00 C ATOM 1335 CD GLN A 91 -5.098 3.799 -4.120 1.00 0.00 C ATOM 1336 OE1 GLN A 91 -5.046 4.112 -5.307 1.00 0.00 O ATOM 1337 NE2 GLN A 91 -4.643 2.656 -3.682 1.00 0.00 N ATOM 0 H GLN A 91 -3.877 8.316 -2.177 1.00 0.00 H new ATOM 0 HA GLN A 91 -3.691 6.162 -4.233 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -3.978 5.210 -2.019 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -5.328 6.283 -1.708 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -6.178 4.106 -2.295 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -6.589 5.236 -3.569 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -4.703 2.430 -2.689 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -4.228 1.989 -4.333 1.00 0.00 H new ATOM 1346 N ALA A 92 -5.324 7.656 -5.442 1.00 0.00 N ATOM 1347 CA ALA A 92 -6.075 8.663 -6.222 1.00 0.00 C ATOM 1348 C ALA A 92 -7.524 8.830 -5.780 1.00 0.00 C ATOM 1349 O ALA A 92 -8.381 7.971 -6.032 1.00 0.00 O ATOM 1350 CB ALA A 92 -5.998 8.346 -7.709 1.00 0.00 C ATOM 0 H ALA A 92 -4.815 6.991 -6.024 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.593 9.621 -6.026 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -6.555 9.096 -8.270 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -4.956 8.354 -8.029 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -6.427 7.361 -7.894 1.00 0.00 H new ATOM 1356 N GLY A 93 -7.764 9.949 -5.106 1.00 0.00 N ATOM 1357 CA GLY A 93 -9.053 10.278 -4.558 1.00 0.00 C ATOM 1358 C GLY A 93 -8.878 10.944 -3.211 1.00 0.00 C ATOM 1359 O GLY A 93 -9.643 11.828 -2.822 1.00 0.00 O ATOM 0 H GLY A 93 -7.051 10.656 -4.928 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.589 10.942 -5.236 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.656 9.376 -4.453 1.00 0.00 H new ATOM 1363 N HIS A 94 -7.844 10.527 -2.501 1.00 0.00 N ATOM 1364 CA HIS A 94 -7.493 11.077 -1.195 1.00 0.00 C ATOM 1365 C HIS A 94 -6.010 10.930 -0.988 1.00 0.00 C ATOM 1366 O HIS A 94 -5.352 10.168 -1.697 1.00 0.00 O ATOM 1367 CB HIS A 94 -8.207 10.337 -0.031 1.00 0.00 C ATOM 1368 CG HIS A 94 -9.684 10.555 0.088 1.00 0.00 C ATOM 1369 ND1 HIS A 94 -10.619 9.633 -0.312 1.00 0.00 N ATOM 1370 CD2 HIS A 94 -10.383 11.583 0.611 1.00 0.00 C ATOM 1371 CE1 HIS A 94 -11.821 10.084 -0.043 1.00 0.00 C ATOM 1372 NE2 HIS A 94 -11.706 11.263 0.517 1.00 0.00 N ATOM 0 H HIS A 94 -7.215 9.788 -2.815 1.00 0.00 H new ATOM 0 HA HIS A 94 -7.806 12.121 -1.187 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -8.027 9.268 -0.144 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -7.740 10.642 0.906 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -9.972 12.491 1.027 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -12.749 9.570 -0.248 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -12.481 11.847 0.832 1.00 0.00 H new ATOM 1381 N ILE A 95 -5.484 11.647 -0.053 1.00 0.00 N ATOM 1382 CA ILE A 95 -4.129 11.445 0.340 1.00 0.00 C ATOM 1383 C ILE A 95 -4.209 10.757 1.686 1.00 0.00 C ATOM 1384 O ILE A 95 -5.035 11.111 2.500 1.00 0.00 O ATOM 1385 CB ILE A 95 -3.302 12.774 0.374 1.00 0.00 C ATOM 1386 CG1 ILE A 95 -1.828 12.501 0.714 1.00 0.00 C ATOM 1387 CG2 ILE A 95 -3.904 13.797 1.330 1.00 0.00 C ATOM 1388 CD1 ILE A 95 -0.940 13.721 0.607 1.00 0.00 C ATOM 0 H ILE A 95 -5.974 12.382 0.456 1.00 0.00 H new ATOM 0 HA ILE A 95 -3.588 10.835 -0.383 1.00 0.00 H new ATOM 0 HB ILE A 95 -3.345 13.204 -0.627 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -1.766 12.106 1.728 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -1.448 11.727 0.047 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -3.298 14.703 1.322 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -4.919 14.036 1.014 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -3.925 13.384 2.339 1.00 0.00 H new ATOM 0 HD11 ILE A 95 0.084 13.449 0.862 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.971 14.105 -0.413 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.293 14.489 1.295 1.00 0.00 H new ATOM 1400 N TRP A 96 -3.439 9.754 1.887 1.00 0.00 N ATOM 1401 CA TRP A 96 -3.583 8.934 3.054 1.00 0.00 C ATOM 1402 C TRP A 96 -2.342 8.987 3.887 1.00 0.00 C ATOM 1403 O TRP A 96 -1.224 9.004 3.353 1.00 0.00 O ATOM 1404 CB TRP A 96 -3.861 7.477 2.637 1.00 0.00 C ATOM 1405 CG TRP A 96 -5.060 7.320 1.744 1.00 0.00 C ATOM 1406 CD1 TRP A 96 -5.111 7.545 0.402 1.00 0.00 C ATOM 1407 CD2 TRP A 96 -6.365 6.901 2.126 1.00 0.00 C ATOM 1408 NE1 TRP A 96 -6.375 7.317 -0.070 1.00 0.00 N ATOM 1409 CE2 TRP A 96 -7.164 6.911 0.967 1.00 0.00 C ATOM 1410 CE3 TRP A 96 -6.938 6.522 3.332 1.00 0.00 C ATOM 1411 CZ2 TRP A 96 -8.505 6.561 0.989 1.00 0.00 C ATOM 1412 CZ3 TRP A 96 -8.265 6.173 3.350 1.00 0.00 C ATOM 1413 CH2 TRP A 96 -9.037 6.193 2.186 1.00 0.00 C ATOM 0 H TRP A 96 -2.690 9.470 1.256 1.00 0.00 H new ATOM 0 HA TRP A 96 -4.419 9.311 3.643 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -2.984 7.082 2.125 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -4.006 6.874 3.533 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -4.273 7.859 -0.203 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -6.678 7.432 -1.037 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -6.351 6.502 4.238 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -9.104 6.580 0.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -8.722 5.877 4.283 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -10.078 5.910 2.237 1.00 0.00 H new ATOM 1424 N ILE A 97 -2.509 9.029 5.171 1.00 0.00 N ATOM 1425 CA ILE A 97 -1.376 8.965 6.045 1.00 0.00 C ATOM 1426 C ILE A 97 -1.254 7.559 6.583 1.00 0.00 C ATOM 1427 O ILE A 97 -2.252 6.950 7.007 1.00 0.00 O ATOM 1428 CB ILE A 97 -1.412 9.989 7.220 1.00 0.00 C ATOM 1429 CG1 ILE A 97 -2.648 9.785 8.116 1.00 0.00 C ATOM 1430 CG2 ILE A 97 -1.351 11.415 6.680 1.00 0.00 C ATOM 1431 CD1 ILE A 97 -2.650 10.622 9.382 1.00 0.00 C ATOM 0 H ILE A 97 -3.413 9.107 5.638 1.00 0.00 H new ATOM 0 HA ILE A 97 -0.504 9.238 5.451 1.00 0.00 H new ATOM 0 HB ILE A 97 -0.535 9.817 7.844 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -3.543 10.019 7.539 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.712 8.732 8.391 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -1.377 12.120 7.511 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -0.428 11.552 6.117 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -2.205 11.593 6.026 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -3.555 10.416 9.953 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -1.777 10.373 9.984 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -2.620 11.679 9.119 1.00 0.00 H new ATOM 1443 N GLY A 98 -0.073 7.034 6.510 1.00 0.00 N ATOM 1444 CA GLY A 98 0.180 5.721 6.979 1.00 0.00 C ATOM 1445 C GLY A 98 0.854 5.763 8.300 1.00 0.00 C ATOM 1446 O GLY A 98 1.922 6.387 8.446 1.00 0.00 O ATOM 0 H GLY A 98 0.741 7.510 6.121 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.757 5.170 7.059 1.00 0.00 H new ATOM 0 HA3 GLY A 98 0.804 5.186 6.263 1.00 0.00 H new ATOM 1450 N TYR A 99 0.245 5.164 9.269 1.00 0.00 N ATOM 1451 CA TYR A 99 0.818 5.112 10.568 1.00 0.00 C ATOM 1452 C TYR A 99 0.773 3.720 11.123 1.00 0.00 C ATOM 1453 O TYR A 99 -0.133 2.924 10.810 1.00 0.00 O ATOM 1454 CB TYR A 99 0.199 6.144 11.521 1.00 0.00 C ATOM 1455 CG TYR A 99 -1.306 6.120 11.643 1.00 0.00 C ATOM 1456 CD1 TYR A 99 -2.094 6.897 10.805 1.00 0.00 C ATOM 1457 CD2 TYR A 99 -1.936 5.355 12.613 1.00 0.00 C ATOM 1458 CE1 TYR A 99 -3.461 6.914 10.929 1.00 0.00 C ATOM 1459 CE2 TYR A 99 -3.307 5.362 12.738 1.00 0.00 C ATOM 1460 CZ TYR A 99 -4.064 6.147 11.894 1.00 0.00 C ATOM 1461 OH TYR A 99 -5.423 6.169 12.024 1.00 0.00 O ATOM 0 H TYR A 99 -0.659 4.700 9.181 1.00 0.00 H new ATOM 0 HA TYR A 99 1.868 5.388 10.472 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.626 5.994 12.513 1.00 0.00 H new ATOM 0 HB3 TYR A 99 0.500 7.138 11.192 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -1.623 7.499 10.042 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -1.343 4.746 13.279 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -4.058 7.527 10.271 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -3.787 4.756 13.493 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.692 5.571 12.752 1.00 0.00 H new ATOM 1471 N ASN A 100 1.772 3.406 11.885 1.00 0.00 N ATOM 1472 CA ASN A 100 1.890 2.120 12.495 1.00 0.00 C ATOM 1473 C ASN A 100 1.424 2.227 13.936 1.00 0.00 C ATOM 1474 O ASN A 100 1.927 3.042 14.718 1.00 0.00 O ATOM 1475 CB ASN A 100 3.339 1.578 12.365 1.00 0.00 C ATOM 1476 CG ASN A 100 4.400 2.399 13.102 1.00 0.00 C ATOM 1477 OD1 ASN A 100 4.746 2.096 14.237 1.00 0.00 O ATOM 1478 ND2 ASN A 100 4.904 3.447 12.484 1.00 0.00 N ATOM 0 H ASN A 100 2.538 4.043 12.104 1.00 0.00 H new ATOM 0 HA ASN A 100 1.256 1.395 11.984 1.00 0.00 H new ATOM 0 HB2 ASN A 100 3.365 0.555 12.742 1.00 0.00 H new ATOM 0 HB3 ASN A 100 3.602 1.535 11.308 1.00 0.00 H new ATOM 0 HD21 ASN A 100 5.600 4.028 12.951 1.00 0.00 H new ATOM 0 HD22 ASN A 100 4.598 3.677 11.538 1.00 0.00 H new ATOM 1485 N ALA A 101 0.411 1.470 14.261 1.00 0.00 N ATOM 1486 CA ALA A 101 -0.168 1.519 15.579 1.00 0.00 C ATOM 1487 C ALA A 101 0.539 0.560 16.534 1.00 0.00 C ATOM 1488 O ALA A 101 1.405 -0.214 16.121 1.00 0.00 O ATOM 1489 CB ALA A 101 -1.651 1.213 15.503 1.00 0.00 C ATOM 0 H ALA A 101 -0.034 0.807 13.627 1.00 0.00 H new ATOM 0 HA ALA A 101 -0.036 2.526 15.975 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.082 1.252 16.503 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.142 1.949 14.867 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.796 0.217 15.084 1.00 0.00 H new ATOM 1495 N TYR A 102 0.130 0.583 17.800 1.00 0.00 N ATOM 1496 CA TYR A 102 0.721 -0.264 18.851 1.00 0.00 C ATOM 1497 C TYR A 102 0.449 -1.748 18.611 1.00 0.00 C ATOM 1498 O TYR A 102 1.155 -2.616 19.109 1.00 0.00 O ATOM 1499 CB TYR A 102 0.238 0.175 20.256 1.00 0.00 C ATOM 1500 CG TYR A 102 -1.280 0.264 20.433 1.00 0.00 C ATOM 1501 CD1 TYR A 102 -1.962 1.432 20.110 1.00 0.00 C ATOM 1502 CD2 TYR A 102 -2.019 -0.807 20.931 1.00 0.00 C ATOM 1503 CE1 TYR A 102 -3.325 1.535 20.278 1.00 0.00 C ATOM 1504 CE2 TYR A 102 -3.395 -0.710 21.098 1.00 0.00 C ATOM 1505 CZ TYR A 102 -4.039 0.468 20.768 1.00 0.00 C ATOM 1506 OH TYR A 102 -5.409 0.584 20.940 1.00 0.00 O ATOM 0 H TYR A 102 -0.621 1.187 18.134 1.00 0.00 H new ATOM 0 HA TYR A 102 1.801 -0.127 18.807 1.00 0.00 H new ATOM 0 HB2 TYR A 102 0.632 -0.526 20.992 1.00 0.00 H new ATOM 0 HB3 TYR A 102 0.670 1.150 20.482 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -1.412 2.275 19.720 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -1.515 -1.726 21.191 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -3.833 2.454 20.025 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -3.957 -1.548 21.483 1.00 0.00 H new ATOM 0 HH TYR A 102 -5.767 -0.257 21.293 1.00 0.00 H new ATOM 1516 N ASN A 103 -0.570 -2.015 17.834 1.00 0.00 N ATOM 1517 CA ASN A 103 -0.944 -3.375 17.461 1.00 0.00 C ATOM 1518 C ASN A 103 -0.040 -3.875 16.322 1.00 0.00 C ATOM 1519 O ASN A 103 0.029 -5.065 16.036 1.00 0.00 O ATOM 1520 CB ASN A 103 -2.407 -3.355 16.989 1.00 0.00 C ATOM 1521 CG ASN A 103 -2.973 -4.694 16.515 1.00 0.00 C ATOM 1522 OD1 ASN A 103 -3.776 -4.729 15.588 1.00 0.00 O ATOM 1523 ND2 ASN A 103 -2.623 -5.777 17.155 1.00 0.00 N ATOM 0 H ASN A 103 -1.174 -1.297 17.434 1.00 0.00 H new ATOM 0 HA ASN A 103 -0.828 -4.043 18.314 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -3.028 -2.989 17.807 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -2.496 -2.636 16.175 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -3.019 -6.678 16.887 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -1.953 -5.722 17.922 1.00 0.00 H new ATOM 1530 N GLY A 104 0.673 -2.949 15.690 1.00 0.00 N ATOM 1531 CA GLY A 104 1.469 -3.289 14.523 1.00 0.00 C ATOM 1532 C GLY A 104 0.607 -3.256 13.282 1.00 0.00 C ATOM 1533 O GLY A 104 1.039 -3.612 12.176 1.00 0.00 O ATOM 0 H GLY A 104 0.715 -1.968 15.965 1.00 0.00 H new ATOM 0 HA2 GLY A 104 2.296 -2.587 14.420 1.00 0.00 H new ATOM 0 HA3 GLY A 104 1.905 -4.280 14.646 1.00 0.00 H new ATOM 1537 N ASN A 105 -0.616 -2.827 13.479 1.00 0.00 N ATOM 1538 CA ASN A 105 -1.598 -2.730 12.429 1.00 0.00 C ATOM 1539 C ASN A 105 -1.349 -1.452 11.658 1.00 0.00 C ATOM 1540 O ASN A 105 -1.107 -0.382 12.256 1.00 0.00 O ATOM 1541 CB ASN A 105 -3.021 -2.769 13.042 1.00 0.00 C ATOM 1542 CG ASN A 105 -4.166 -2.892 12.025 1.00 0.00 C ATOM 1543 OD1 ASN A 105 -4.116 -2.374 10.917 1.00 0.00 O ATOM 1544 ND2 ASN A 105 -5.185 -3.627 12.390 1.00 0.00 N ATOM 0 H ASN A 105 -0.962 -2.530 14.391 1.00 0.00 H new ATOM 0 HA ASN A 105 -1.517 -3.572 11.741 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -3.079 -3.609 13.734 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -3.172 -1.862 13.628 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -5.961 -3.779 11.746 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -5.203 -4.048 13.319 1.00 0.00 H new ATOM 1551 N ARG A 106 -1.350 -1.573 10.359 1.00 0.00 N ATOM 1552 CA ARG A 106 -1.092 -0.477 9.480 1.00 0.00 C ATOM 1553 C ARG A 106 -2.409 0.225 9.186 1.00 0.00 C ATOM 1554 O ARG A 106 -3.248 -0.287 8.430 1.00 0.00 O ATOM 1555 CB ARG A 106 -0.463 -1.000 8.183 1.00 0.00 C ATOM 1556 CG ARG A 106 0.168 0.064 7.322 1.00 0.00 C ATOM 1557 CD ARG A 106 1.334 0.693 8.044 1.00 0.00 C ATOM 1558 NE ARG A 106 1.974 1.741 7.272 1.00 0.00 N ATOM 1559 CZ ARG A 106 2.799 2.639 7.790 1.00 0.00 C ATOM 1560 NH1 ARG A 106 3.095 2.610 9.076 1.00 0.00 N ATOM 1561 NH2 ARG A 106 3.313 3.554 7.039 1.00 0.00 N ATOM 0 H ARG A 106 -1.534 -2.453 9.878 1.00 0.00 H new ATOM 0 HA ARG A 106 -0.399 0.227 9.941 1.00 0.00 H new ATOM 0 HB2 ARG A 106 0.294 -1.742 8.435 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -1.230 -1.512 7.602 1.00 0.00 H new ATOM 0 HG2 ARG A 106 0.505 -0.371 6.381 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -0.570 0.827 7.074 1.00 0.00 H new ATOM 0 HD2 ARG A 106 0.989 1.106 8.992 1.00 0.00 H new ATOM 0 HD3 ARG A 106 2.068 -0.078 8.280 1.00 0.00 H new ATOM 0 HE ARG A 106 1.778 1.789 6.272 1.00 0.00 H new ATOM 0 HH11 ARG A 106 2.688 1.893 9.677 1.00 0.00 H new ATOM 0 HH12 ARG A 106 3.731 3.304 9.469 1.00 0.00 H new ATOM 0 HH21 ARG A 106 3.084 3.586 6.046 1.00 0.00 H new ATOM 0 HH22 ARG A 106 3.948 4.245 7.439 1.00 0.00 H new ATOM 1575 N VAL A 107 -2.606 1.358 9.784 1.00 0.00 N ATOM 1576 CA VAL A 107 -3.859 2.049 9.650 1.00 0.00 C ATOM 1577 C VAL A 107 -3.670 3.273 8.748 1.00 0.00 C ATOM 1578 O VAL A 107 -2.605 3.918 8.779 1.00 0.00 O ATOM 1579 CB VAL A 107 -4.415 2.462 11.045 1.00 0.00 C ATOM 1580 CG1 VAL A 107 -5.839 2.959 10.937 1.00 0.00 C ATOM 1581 CG2 VAL A 107 -4.337 1.306 12.039 1.00 0.00 C ATOM 0 H VAL A 107 -1.917 1.828 10.371 1.00 0.00 H new ATOM 0 HA VAL A 107 -4.589 1.382 9.192 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.790 3.275 11.415 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -6.202 3.240 11.925 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -5.873 3.826 10.278 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -6.470 2.169 10.530 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.733 1.627 13.002 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -4.924 0.466 11.667 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -3.298 0.998 12.158 1.00 0.00 H new ATOM 1591 N TYR A 108 -4.669 3.562 7.927 1.00 0.00 N ATOM 1592 CA TYR A 108 -4.616 4.666 6.990 1.00 0.00 C ATOM 1593 C TYR A 108 -5.800 5.601 7.155 1.00 0.00 C ATOM 1594 O TYR A 108 -6.963 5.171 7.136 1.00 0.00 O ATOM 1595 CB TYR A 108 -4.544 4.161 5.540 1.00 0.00 C ATOM 1596 CG TYR A 108 -3.217 3.556 5.164 1.00 0.00 C ATOM 1597 CD1 TYR A 108 -2.202 4.359 4.683 1.00 0.00 C ATOM 1598 CD2 TYR A 108 -2.974 2.195 5.289 1.00 0.00 C ATOM 1599 CE1 TYR A 108 -0.980 3.841 4.336 1.00 0.00 C ATOM 1600 CE2 TYR A 108 -1.746 1.661 4.943 1.00 0.00 C ATOM 1601 CZ TYR A 108 -0.747 2.502 4.465 1.00 0.00 C ATOM 1602 OH TYR A 108 0.487 1.992 4.105 1.00 0.00 O ATOM 0 H TYR A 108 -5.541 3.033 7.895 1.00 0.00 H new ATOM 0 HA TYR A 108 -3.707 5.226 7.212 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -5.326 3.418 5.386 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -4.756 4.991 4.867 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -2.374 5.420 4.577 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -3.753 1.546 5.661 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -0.204 4.491 3.961 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -1.565 0.601 5.043 1.00 0.00 H new ATOM 0 HH TYR A 108 1.192 2.611 4.388 1.00 0.00 H new ATOM 1612 N CYS A 109 -5.506 6.864 7.315 1.00 0.00 N ATOM 1613 CA CYS A 109 -6.522 7.882 7.447 1.00 0.00 C ATOM 1614 C CYS A 109 -6.561 8.707 6.159 1.00 0.00 C ATOM 1615 O CYS A 109 -5.505 9.064 5.627 1.00 0.00 O ATOM 1616 CB CYS A 109 -6.229 8.775 8.665 1.00 0.00 C ATOM 1617 SG CYS A 109 -7.454 10.078 8.965 1.00 0.00 S ATOM 0 H CYS A 109 -4.551 7.220 7.358 1.00 0.00 H new ATOM 0 HA CYS A 109 -7.495 7.417 7.606 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -6.164 8.145 9.552 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -5.252 9.239 8.531 1.00 0.00 H new ATOM 0 HG CYS A 109 -7.007 10.892 9.875 1.00 0.00 H new ATOM 1623 N PRO A 110 -7.778 9.001 5.628 1.00 0.00 N ATOM 1624 CA PRO A 110 -7.950 9.732 4.356 1.00 0.00 C ATOM 1625 C PRO A 110 -7.613 11.221 4.430 1.00 0.00 C ATOM 1626 O PRO A 110 -7.560 11.858 3.400 1.00 0.00 O ATOM 1627 CB PRO A 110 -9.431 9.543 4.038 1.00 0.00 C ATOM 1628 CG PRO A 110 -10.068 9.383 5.366 1.00 0.00 C ATOM 1629 CD PRO A 110 -9.084 8.614 6.204 1.00 0.00 C ATOM 0 HA PRO A 110 -7.266 9.348 3.599 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -9.836 10.401 3.502 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -9.595 8.668 3.409 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -10.288 10.352 5.813 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -11.014 8.847 5.284 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -9.155 8.883 7.258 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -9.251 7.539 6.137 1.00 0.00 H new ATOM 1637 N VAL A 111 -7.461 11.744 5.674 1.00 0.00 N ATOM 1638 CA VAL A 111 -7.039 13.151 6.047 1.00 0.00 C ATOM 1639 C VAL A 111 -7.669 14.346 5.263 1.00 0.00 C ATOM 1640 O VAL A 111 -8.251 15.259 5.870 1.00 0.00 O ATOM 1641 CB VAL A 111 -5.494 13.312 6.199 1.00 0.00 C ATOM 1642 CG1 VAL A 111 -4.986 12.387 7.272 1.00 0.00 C ATOM 1643 CG2 VAL A 111 -4.748 13.059 4.905 1.00 0.00 C ATOM 0 H VAL A 111 -7.636 11.176 6.503 1.00 0.00 H new ATOM 0 HA VAL A 111 -7.504 13.242 7.029 1.00 0.00 H new ATOM 0 HB VAL A 111 -5.307 14.349 6.479 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -3.907 12.505 7.373 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -5.468 12.629 8.219 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -5.215 11.356 7.002 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -3.678 13.185 5.071 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -4.945 12.043 4.564 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -5.083 13.767 4.147 1.00 0.00 H new ATOM 1653 N ARG A 112 -7.527 14.351 3.962 1.00 0.00 N ATOM 1654 CA ARG A 112 -8.062 15.363 3.100 1.00 0.00 C ATOM 1655 C ARG A 112 -8.137 14.802 1.700 1.00 0.00 C ATOM 1656 O ARG A 112 -7.359 13.905 1.339 1.00 0.00 O ATOM 1657 CB ARG A 112 -7.218 16.653 3.128 1.00 0.00 C ATOM 1658 CG ARG A 112 -5.788 16.544 2.639 1.00 0.00 C ATOM 1659 CD ARG A 112 -5.117 17.909 2.700 1.00 0.00 C ATOM 1660 NE ARG A 112 -3.703 17.878 2.287 1.00 0.00 N ATOM 1661 CZ ARG A 112 -2.943 18.976 2.093 1.00 0.00 C ATOM 1662 NH1 ARG A 112 -3.458 20.195 2.275 1.00 0.00 N ATOM 1663 NH2 ARG A 112 -1.670 18.852 1.738 1.00 0.00 N ATOM 0 H ARG A 112 -7.017 13.623 3.461 1.00 0.00 H new ATOM 0 HA ARG A 112 -9.057 15.638 3.451 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -7.727 17.405 2.525 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -7.199 17.025 4.152 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -5.238 15.830 3.252 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -5.771 16.166 1.617 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -5.661 18.603 2.060 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -5.184 18.295 3.717 1.00 0.00 H new ATOM 0 HE ARG A 112 -3.270 16.967 2.138 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -4.431 20.300 2.562 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -2.878 21.021 2.127 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -1.264 17.925 1.611 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -1.098 19.684 1.592 1.00 0.00 H new ATOM 1677 N THR A 113 -9.069 15.275 0.921 1.00 0.00 N ATOM 1678 CA THR A 113 -9.178 14.806 -0.432 1.00 0.00 C ATOM 1679 C THR A 113 -8.037 15.397 -1.254 1.00 0.00 C ATOM 1680 O THR A 113 -7.609 16.540 -1.015 1.00 0.00 O ATOM 1681 CB THR A 113 -10.578 15.103 -1.065 1.00 0.00 C ATOM 1682 OG1 THR A 113 -10.643 14.587 -2.396 1.00 0.00 O ATOM 1683 CG2 THR A 113 -10.892 16.585 -1.091 1.00 0.00 C ATOM 0 H THR A 113 -9.757 15.977 1.195 1.00 0.00 H new ATOM 0 HA THR A 113 -9.093 13.719 -0.430 1.00 0.00 H new ATOM 0 HB THR A 113 -11.319 14.610 -0.437 1.00 0.00 H new ATOM 0 HG1 THR A 113 -10.300 13.669 -2.408 1.00 0.00 H new ATOM 0 HG21 THR A 113 -11.873 16.741 -1.539 1.00 0.00 H new ATOM 0 HG22 THR A 113 -10.892 16.975 -0.073 1.00 0.00 H new ATOM 0 HG23 THR A 113 -10.137 17.107 -1.680 1.00 0.00 H new ATOM 1691 N CYS A 114 -7.518 14.626 -2.163 1.00 0.00 N ATOM 1692 CA CYS A 114 -6.412 15.045 -2.950 1.00 0.00 C ATOM 1693 C CYS A 114 -6.430 14.273 -4.244 1.00 0.00 C ATOM 1694 O CYS A 114 -6.713 13.065 -4.253 1.00 0.00 O ATOM 1695 CB CYS A 114 -5.095 14.810 -2.189 1.00 0.00 C ATOM 1696 SG CYS A 114 -3.634 15.530 -2.969 1.00 0.00 S ATOM 0 H CYS A 114 -7.856 13.687 -2.375 1.00 0.00 H new ATOM 0 HA CYS A 114 -6.484 16.112 -3.161 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -5.193 15.221 -1.184 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -4.940 13.736 -2.081 1.00 0.00 H new ATOM 0 HG CYS A 114 -2.580 14.849 -2.628 1.00 0.00 H new ATOM 1702 N GLN A 115 -6.184 14.959 -5.318 1.00 0.00 N ATOM 1703 CA GLN A 115 -6.159 14.355 -6.619 1.00 0.00 C ATOM 1704 C GLN A 115 -4.796 14.629 -7.215 1.00 0.00 C ATOM 1705 O GLN A 115 -4.118 15.574 -6.782 1.00 0.00 O ATOM 1706 CB GLN A 115 -7.262 14.960 -7.500 1.00 0.00 C ATOM 1707 CG GLN A 115 -8.663 14.865 -6.886 1.00 0.00 C ATOM 1708 CD GLN A 115 -9.752 15.490 -7.745 1.00 0.00 C ATOM 1709 OE1 GLN A 115 -9.606 15.410 -9.039 1.00 0.00 O flip ATOM 1710 NE2 GLN A 115 -10.746 16.018 -7.230 1.00 0.00 N flip ATOM 0 H GLN A 115 -5.993 15.961 -5.319 1.00 0.00 H new ATOM 0 HA GLN A 115 -6.337 13.282 -6.554 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -7.029 16.008 -7.690 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -7.263 14.453 -8.465 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -8.905 13.816 -6.715 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -8.657 15.353 -5.911 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -10.830 16.065 -6.215 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -11.481 16.406 -7.821 1.00 0.00 H new ATOM 1719 N GLY A 116 -4.378 13.827 -8.152 1.00 0.00 N ATOM 1720 CA GLY A 116 -3.104 14.042 -8.762 1.00 0.00 C ATOM 1721 C GLY A 116 -2.313 12.773 -8.874 1.00 0.00 C ATOM 1722 O GLY A 116 -2.858 11.674 -8.736 1.00 0.00 O ATOM 0 H GLY A 116 -4.899 13.025 -8.506 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -3.245 14.470 -9.754 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -2.541 14.770 -8.178 1.00 0.00 H new ATOM 1726 N VAL A 117 -1.037 12.930 -9.108 1.00 0.00 N ATOM 1727 CA VAL A 117 -0.090 11.847 -9.270 1.00 0.00 C ATOM 1728 C VAL A 117 1.196 12.292 -8.605 1.00 0.00 C ATOM 1729 O VAL A 117 1.458 13.475 -8.568 1.00 0.00 O ATOM 1730 CB VAL A 117 0.190 11.508 -10.778 1.00 0.00 C ATOM 1731 CG1 VAL A 117 -1.032 10.903 -11.457 1.00 0.00 C ATOM 1732 CG2 VAL A 117 0.656 12.745 -11.541 1.00 0.00 C ATOM 0 H VAL A 117 -0.607 13.851 -9.195 1.00 0.00 H new ATOM 0 HA VAL A 117 -0.499 10.942 -8.822 1.00 0.00 H new ATOM 0 HB VAL A 117 0.987 10.765 -10.795 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -0.798 10.683 -12.498 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -1.314 9.982 -10.946 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -1.860 11.610 -11.413 1.00 0.00 H new ATOM 0 HG21 VAL A 117 0.843 12.481 -12.582 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -0.115 13.514 -11.494 1.00 0.00 H new ATOM 0 HG23 VAL A 117 1.574 13.125 -11.093 1.00 0.00 H new ATOM 1742 N PRO A 118 2.001 11.384 -8.066 1.00 0.00 N ATOM 1743 CA PRO A 118 3.235 11.750 -7.347 1.00 0.00 C ATOM 1744 C PRO A 118 4.230 12.516 -8.240 1.00 0.00 C ATOM 1745 O PRO A 118 4.529 12.076 -9.358 1.00 0.00 O ATOM 1746 CB PRO A 118 3.828 10.391 -6.962 1.00 0.00 C ATOM 1747 CG PRO A 118 3.213 9.445 -7.926 1.00 0.00 C ATOM 1748 CD PRO A 118 1.816 9.931 -8.110 1.00 0.00 C ATOM 0 HA PRO A 118 3.032 12.410 -6.503 1.00 0.00 H new ATOM 0 HB2 PRO A 118 4.915 10.393 -7.043 1.00 0.00 H new ATOM 0 HB3 PRO A 118 3.585 10.127 -5.933 1.00 0.00 H new ATOM 0 HG2 PRO A 118 3.755 9.437 -8.871 1.00 0.00 H new ATOM 0 HG3 PRO A 118 3.228 8.425 -7.542 1.00 0.00 H new ATOM 0 HD2 PRO A 118 1.389 9.601 -9.057 1.00 0.00 H new ATOM 0 HD3 PRO A 118 1.152 9.578 -7.321 1.00 0.00 H new ATOM 1756 N PRO A 119 4.778 13.658 -7.778 1.00 0.00 N ATOM 1757 CA PRO A 119 4.501 14.262 -6.471 1.00 0.00 C ATOM 1758 C PRO A 119 3.482 15.423 -6.536 1.00 0.00 C ATOM 1759 O PRO A 119 3.255 16.127 -5.527 1.00 0.00 O ATOM 1760 CB PRO A 119 5.883 14.828 -6.085 1.00 0.00 C ATOM 1761 CG PRO A 119 6.710 14.807 -7.346 1.00 0.00 C ATOM 1762 CD PRO A 119 5.789 14.430 -8.472 1.00 0.00 C ATOM 0 HA PRO A 119 4.068 13.543 -5.775 1.00 0.00 H new ATOM 0 HB2 PRO A 119 5.794 15.842 -5.694 1.00 0.00 H new ATOM 0 HB3 PRO A 119 6.347 14.225 -5.304 1.00 0.00 H new ATOM 0 HG2 PRO A 119 7.161 15.783 -7.527 1.00 0.00 H new ATOM 0 HG3 PRO A 119 7.526 14.090 -7.259 1.00 0.00 H new ATOM 0 HD2 PRO A 119 5.368 15.305 -8.967 1.00 0.00 H new ATOM 0 HD3 PRO A 119 6.297 13.844 -9.238 1.00 0.00 H new ATOM 1770 N ASN A 120 2.861 15.607 -7.694 1.00 0.00 N ATOM 1771 CA ASN A 120 1.922 16.706 -7.891 1.00 0.00 C ATOM 1772 C ASN A 120 0.613 16.399 -7.188 1.00 0.00 C ATOM 1773 O ASN A 120 -0.219 15.627 -7.663 1.00 0.00 O ATOM 1774 CB ASN A 120 1.672 16.949 -9.380 1.00 0.00 C ATOM 1775 CG ASN A 120 0.742 18.125 -9.635 1.00 0.00 C ATOM 1776 OD1 ASN A 120 0.696 19.084 -8.862 1.00 0.00 O ATOM 1777 ND2 ASN A 120 0.007 18.062 -10.708 1.00 0.00 N ATOM 0 H ASN A 120 2.990 15.010 -8.511 1.00 0.00 H new ATOM 0 HA ASN A 120 2.356 17.610 -7.465 1.00 0.00 H new ATOM 0 HB2 ASN A 120 2.624 17.129 -9.879 1.00 0.00 H new ATOM 0 HB3 ASN A 120 1.244 16.050 -9.824 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -0.634 18.823 -10.932 1.00 0.00 H new ATOM 0 HD22 ASN A 120 0.073 17.252 -11.324 1.00 0.00 H new ATOM 1784 N HIS A 121 0.467 16.991 -6.048 1.00 0.00 N ATOM 1785 CA HIS A 121 -0.674 16.788 -5.206 1.00 0.00 C ATOM 1786 C HIS A 121 -1.614 17.986 -5.238 1.00 0.00 C ATOM 1787 O HIS A 121 -1.204 19.106 -4.917 1.00 0.00 O ATOM 1788 CB HIS A 121 -0.231 16.410 -3.766 1.00 0.00 C ATOM 1789 CG HIS A 121 0.673 17.408 -3.082 1.00 0.00 C ATOM 1790 ND1 HIS A 121 2.040 17.478 -3.304 1.00 0.00 N ATOM 1791 CD2 HIS A 121 0.394 18.374 -2.183 1.00 0.00 C ATOM 1792 CE1 HIS A 121 2.545 18.448 -2.568 1.00 0.00 C ATOM 1793 NE2 HIS A 121 1.566 19.002 -1.882 1.00 0.00 N ATOM 0 H HIS A 121 1.150 17.644 -5.665 1.00 0.00 H new ATOM 0 HA HIS A 121 -1.245 15.946 -5.597 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -1.123 16.274 -3.154 1.00 0.00 H new ATOM 0 HB3 HIS A 121 0.280 15.448 -3.802 1.00 0.00 H new ATOM 0 HD1 HIS A 121 2.569 16.876 -3.935 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -0.579 18.607 -1.776 1.00 0.00 H new ATOM 0 HE1 HIS A 121 3.584 18.739 -2.533 1.00 0.00 H new ATOM 1802 N ILE A 122 -2.831 17.769 -5.656 1.00 0.00 N ATOM 1803 CA ILE A 122 -3.849 18.808 -5.644 1.00 0.00 C ATOM 1804 C ILE A 122 -4.739 18.569 -4.421 1.00 0.00 C ATOM 1805 O ILE A 122 -5.542 17.631 -4.422 1.00 0.00 O ATOM 1806 CB ILE A 122 -4.725 18.759 -6.932 1.00 0.00 C ATOM 1807 CG1 ILE A 122 -3.834 18.847 -8.181 1.00 0.00 C ATOM 1808 CG2 ILE A 122 -5.749 19.901 -6.924 1.00 0.00 C ATOM 1809 CD1 ILE A 122 -4.581 18.714 -9.496 1.00 0.00 C ATOM 0 H ILE A 122 -3.154 16.871 -6.016 1.00 0.00 H new ATOM 0 HA ILE A 122 -3.368 19.785 -5.605 1.00 0.00 H new ATOM 0 HB ILE A 122 -5.264 17.812 -6.954 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -3.309 19.802 -8.171 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -3.076 18.066 -8.127 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -6.354 19.854 -7.830 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -6.395 19.805 -6.051 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -5.227 20.857 -6.885 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -3.876 18.788 -10.324 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -5.084 17.748 -9.533 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -5.320 19.511 -9.577 1.00 0.00 H new ATOM 1821 N PRO A 123 -4.546 19.332 -3.334 1.00 0.00 N ATOM 1822 CA PRO A 123 -5.303 19.155 -2.104 1.00 0.00 C ATOM 1823 C PRO A 123 -6.639 19.894 -2.111 1.00 0.00 C ATOM 1824 O PRO A 123 -6.703 21.085 -2.428 1.00 0.00 O ATOM 1825 CB PRO A 123 -4.382 19.737 -1.026 1.00 0.00 C ATOM 1826 CG PRO A 123 -3.278 20.466 -1.746 1.00 0.00 C ATOM 1827 CD PRO A 123 -3.602 20.446 -3.215 1.00 0.00 C ATOM 0 HA PRO A 123 -5.564 18.108 -1.948 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -4.931 20.415 -0.373 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -3.976 18.946 -0.396 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -3.198 21.492 -1.386 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -2.317 19.986 -1.559 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -4.045 21.386 -3.542 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -2.711 20.285 -3.822 1.00 0.00 H new ATOM 1835 N GLY A 124 -7.689 19.195 -1.760 1.00 0.00 N ATOM 1836 CA GLY A 124 -8.984 19.803 -1.686 1.00 0.00 C ATOM 1837 C GLY A 124 -9.387 20.060 -0.249 1.00 0.00 C ATOM 1838 O GLY A 124 -8.595 20.588 0.536 1.00 0.00 O ATOM 0 H GLY A 124 -7.667 18.203 -1.522 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -8.980 20.742 -2.239 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -9.720 19.156 -2.163 1.00 0.00 H new ATOM 1842 N VAL A 125 -10.593 19.655 0.100 1.00 0.00 N ATOM 1843 CA VAL A 125 -11.141 19.851 1.438 1.00 0.00 C ATOM 1844 C VAL A 125 -10.394 18.999 2.467 1.00 0.00 C ATOM 1845 O VAL A 125 -10.310 17.757 2.336 1.00 0.00 O ATOM 1846 CB VAL A 125 -12.659 19.513 1.486 1.00 0.00 C ATOM 1847 CG1 VAL A 125 -13.240 19.781 2.872 1.00 0.00 C ATOM 1848 CG2 VAL A 125 -13.422 20.304 0.428 1.00 0.00 C ATOM 0 H VAL A 125 -11.229 19.177 -0.538 1.00 0.00 H new ATOM 0 HA VAL A 125 -11.011 20.904 1.686 1.00 0.00 H new ATOM 0 HB VAL A 125 -12.770 18.450 1.272 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -14.302 19.536 2.875 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -12.723 19.165 3.608 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -13.110 20.834 3.124 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -14.481 20.052 0.479 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -13.293 21.371 0.609 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -13.037 20.054 -0.561 1.00 0.00 H new ATOM 1858 N ALA A 126 -9.807 19.673 3.436 1.00 0.00 N ATOM 1859 CA ALA A 126 -9.100 19.036 4.520 1.00 0.00 C ATOM 1860 C ALA A 126 -10.010 18.850 5.716 1.00 0.00 C ATOM 1861 O ALA A 126 -10.926 19.647 5.933 1.00 0.00 O ATOM 1862 CB ALA A 126 -7.874 19.844 4.904 1.00 0.00 C ATOM 0 H ALA A 126 -9.810 20.692 3.490 1.00 0.00 H new ATOM 0 HA ALA A 126 -8.773 18.052 4.183 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -7.353 19.348 5.723 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -7.207 19.924 4.046 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -8.180 20.842 5.219 1.00 0.00 H new ATOM 1868 N TRP A 127 -9.784 17.805 6.483 1.00 0.00 N ATOM 1869 CA TRP A 127 -10.572 17.585 7.680 1.00 0.00 C ATOM 1870 C TRP A 127 -9.676 17.664 8.920 1.00 0.00 C ATOM 1871 O TRP A 127 -10.109 17.403 10.041 1.00 0.00 O ATOM 1872 CB TRP A 127 -11.311 16.239 7.605 1.00 0.00 C ATOM 1873 CG TRP A 127 -12.138 16.084 6.356 1.00 0.00 C ATOM 1874 CD1 TRP A 127 -13.196 16.852 5.970 1.00 0.00 C ATOM 1875 CD2 TRP A 127 -11.971 15.100 5.333 1.00 0.00 C ATOM 1876 NE1 TRP A 127 -13.678 16.419 4.766 1.00 0.00 N ATOM 1877 CE2 TRP A 127 -12.949 15.344 4.356 1.00 0.00 C ATOM 1878 CE3 TRP A 127 -11.085 14.041 5.147 1.00 0.00 C ATOM 1879 CZ2 TRP A 127 -13.065 14.568 3.211 1.00 0.00 C ATOM 1880 CZ3 TRP A 127 -11.201 13.270 4.012 1.00 0.00 C ATOM 1881 CH2 TRP A 127 -12.181 13.538 3.057 1.00 0.00 C ATOM 0 H TRP A 127 -9.069 17.100 6.303 1.00 0.00 H new ATOM 0 HA TRP A 127 -11.326 18.368 7.756 1.00 0.00 H new ATOM 0 HB2 TRP A 127 -10.583 15.429 7.654 1.00 0.00 H new ATOM 0 HB3 TRP A 127 -11.958 16.138 8.476 1.00 0.00 H new ATOM 0 HD1 TRP A 127 -13.596 17.682 6.534 1.00 0.00 H new ATOM 0 HE1 TRP A 127 -14.458 16.834 4.257 1.00 0.00 H new ATOM 0 HE3 TRP A 127 -10.321 13.829 5.880 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 -13.825 14.771 2.471 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 -10.522 12.444 3.859 1.00 0.00 H new ATOM 0 HH2 TRP A 127 -12.243 12.917 2.175 1.00 0.00 H new ATOM 1892 N GLY A 128 -8.444 18.073 8.705 1.00 0.00 N ATOM 1893 CA GLY A 128 -7.496 18.187 9.771 1.00 0.00 C ATOM 1894 C GLY A 128 -6.278 18.960 9.335 1.00 0.00 C ATOM 1895 O GLY A 128 -6.114 19.252 8.138 1.00 0.00 O ATOM 0 H GLY A 128 -8.081 18.333 7.788 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -7.960 18.684 10.623 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -7.199 17.193 10.105 1.00 0.00 H new ATOM 1899 N VAL A 129 -5.419 19.269 10.268 1.00 0.00 N ATOM 1900 CA VAL A 129 -4.230 20.056 10.004 1.00 0.00 C ATOM 1901 C VAL A 129 -2.982 19.194 10.182 1.00 0.00 C ATOM 1902 O VAL A 129 -2.885 18.423 11.136 1.00 0.00 O ATOM 1903 CB VAL A 129 -4.148 21.292 10.963 1.00 0.00 C ATOM 1904 CG1 VAL A 129 -2.917 22.147 10.682 1.00 0.00 C ATOM 1905 CG2 VAL A 129 -5.405 22.139 10.864 1.00 0.00 C ATOM 0 H VAL A 129 -5.519 18.983 11.242 1.00 0.00 H new ATOM 0 HA VAL A 129 -4.286 20.415 8.976 1.00 0.00 H new ATOM 0 HB VAL A 129 -4.062 20.904 11.978 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -2.898 22.994 11.368 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -2.018 21.547 10.821 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -2.955 22.513 9.656 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -5.324 22.991 11.539 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -5.523 22.497 9.841 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -6.271 21.538 11.141 1.00 0.00 H new ATOM 1915 N PHE A 130 -2.057 19.299 9.258 1.00 0.00 N ATOM 1916 CA PHE A 130 -0.796 18.594 9.362 1.00 0.00 C ATOM 1917 C PHE A 130 0.158 19.438 10.184 1.00 0.00 C ATOM 1918 O PHE A 130 0.445 20.588 9.828 1.00 0.00 O ATOM 1919 CB PHE A 130 -0.196 18.321 7.979 1.00 0.00 C ATOM 1920 CG PHE A 130 -1.033 17.445 7.099 1.00 0.00 C ATOM 1921 CD1 PHE A 130 -0.896 16.072 7.137 1.00 0.00 C ATOM 1922 CD2 PHE A 130 -1.950 17.997 6.227 1.00 0.00 C ATOM 1923 CE1 PHE A 130 -1.659 15.264 6.323 1.00 0.00 C ATOM 1924 CE2 PHE A 130 -2.715 17.198 5.414 1.00 0.00 C ATOM 1925 CZ PHE A 130 -2.572 15.831 5.458 1.00 0.00 C ATOM 0 H PHE A 130 -2.153 19.870 8.418 1.00 0.00 H new ATOM 0 HA PHE A 130 -0.963 17.630 9.843 1.00 0.00 H new ATOM 0 HB2 PHE A 130 -0.034 19.273 7.473 1.00 0.00 H new ATOM 0 HB3 PHE A 130 0.782 17.857 8.107 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -0.182 15.626 7.813 1.00 0.00 H new ATOM 0 HD2 PHE A 130 -2.067 19.070 6.184 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -1.543 14.191 6.362 1.00 0.00 H new ATOM 0 HE2 PHE A 130 -3.430 17.644 4.739 1.00 0.00 H new ATOM 0 HZ PHE A 130 -3.173 15.203 4.817 1.00 0.00 H new ATOM 1935 N LYS A 131 0.634 18.888 11.242 1.00 0.00 N ATOM 1936 CA LYS A 131 1.468 19.580 12.164 1.00 0.00 C ATOM 1937 C LYS A 131 2.842 18.925 12.086 1.00 0.00 C ATOM 1938 O LYS A 131 3.013 17.826 12.635 1.00 0.00 O ATOM 1939 CB LYS A 131 0.859 19.423 13.577 1.00 0.00 C ATOM 1940 CG LYS A 131 1.140 20.527 14.631 1.00 0.00 C ATOM 1941 CD LYS A 131 2.617 20.755 14.976 1.00 0.00 C ATOM 1942 CE LYS A 131 3.313 21.693 13.991 1.00 0.00 C ATOM 1943 NZ LYS A 131 4.737 21.890 14.330 1.00 0.00 N ATOM 1944 OXT LYS A 131 3.755 19.508 11.495 1.00 0.00 O ATOM 0 H LYS A 131 0.451 17.918 11.500 1.00 0.00 H new ATOM 0 HA LYS A 131 1.550 20.644 11.940 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -0.222 19.339 13.465 1.00 0.00 H new ATOM 0 HB3 LYS A 131 1.211 18.476 13.987 1.00 0.00 H new ATOM 0 HG2 LYS A 131 0.721 21.466 14.268 1.00 0.00 H new ATOM 0 HG3 LYS A 131 0.607 20.273 15.547 1.00 0.00 H new ATOM 0 HD2 LYS A 131 2.692 21.170 15.981 1.00 0.00 H new ATOM 0 HD3 LYS A 131 3.136 19.796 14.987 1.00 0.00 H new ATOM 0 HE2 LYS A 131 3.233 21.285 12.983 1.00 0.00 H new ATOM 0 HE3 LYS A 131 2.804 22.657 13.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 5.173 22.532 13.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 4.813 22.303 15.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 5.229 20.974 14.309 1.00 0.00 H new