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 103 ASN : amide:sc= 0.944 K(o=1.3,f=-0.71) USER MOD Set 1.2: A 105 ASN : amide:sc= 0.387 K(o=1.3,f=-2!) USER MOD Set 2.1: A 94 HIS : no HD1:sc= -3.68! C(o=-3.7!,f=-5.5!) USER MOD Set 2.2: A 113 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 44 THR OG1 : rot 145:sc= -0.664 USER MOD Set 3.2: A 91 GLN : amide:sc= 1.87 K(o=1.2,f=-3.3!) USER MOD Single : A 38 LYS NZ :NH3+ -168:sc= 1.21 (180deg=1.16) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.32 K(o=-0.32,f=-3.3!) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= -0.161 USER MOD Single : A 47 LYS NZ :NH3+ -179:sc= 1.19 (180deg=1.15) USER MOD Single : A 50 ASN : amide:sc= 0.579 K(o=0.58,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.463 K(o=-0.46,f=-1.9) USER MOD Single : A 57 ASN :FLIP amide:sc= -0.347 F(o=-1.5,f=-0.35) USER MOD Single : A 58 GLN :FLIP amide:sc= -0.74 F(o=-1.7!,f=-0.74) USER MOD Single : A 62 THR OG1 : rot -7:sc= 0.508 USER MOD Single : A 66 SER OG : rot -111:sc= 0.32 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 30:sc= -0.175 USER MOD Single : A 89 CYS SG : rot -158:sc= -2.23! USER MOD Single : A 99 TYR OH : rot 180:sc=-0.00177 USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 21:sc= 1.32 USER MOD Single : A 109 CYS SG : rot 180:sc= -0.239 USER MOD Single : A 114 CYS SG : rot 8:sc= -2.14! USER MOD Single : A 115 GLN : amide:sc= -0.151 K(o=-0.15,f=-1.2) USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 504 N TRP A 37 8.676 8.806 -3.731 1.00 0.00 N ATOM 505 CA TRP A 37 7.430 8.078 -3.881 1.00 0.00 C ATOM 506 C TRP A 37 7.695 6.673 -4.422 1.00 0.00 C ATOM 507 O TRP A 37 8.221 6.506 -5.529 1.00 0.00 O ATOM 508 CB TRP A 37 6.446 8.834 -4.795 1.00 0.00 C ATOM 509 CG TRP A 37 6.012 10.176 -4.260 1.00 0.00 C ATOM 510 CD1 TRP A 37 6.546 11.398 -4.562 1.00 0.00 C ATOM 511 CD2 TRP A 37 4.953 10.425 -3.327 1.00 0.00 C ATOM 512 NE1 TRP A 37 5.878 12.386 -3.877 1.00 0.00 N ATOM 513 CE2 TRP A 37 4.900 11.815 -3.114 1.00 0.00 C ATOM 514 CE3 TRP A 37 4.044 9.611 -2.656 1.00 0.00 C ATOM 515 CZ2 TRP A 37 3.978 12.401 -2.252 1.00 0.00 C ATOM 516 CZ3 TRP A 37 3.131 10.197 -1.803 1.00 0.00 C ATOM 517 CH2 TRP A 37 3.103 11.578 -1.609 1.00 0.00 C ATOM 0 HA TRP A 37 6.970 7.993 -2.896 1.00 0.00 H new ATOM 0 HB2 TRP A 37 6.911 8.977 -5.771 1.00 0.00 H new ATOM 0 HB3 TRP A 37 5.563 8.214 -4.950 1.00 0.00 H new ATOM 0 HD1 TRP A 37 7.371 11.563 -5.239 1.00 0.00 H new ATOM 0 HE1 TRP A 37 6.080 13.384 -3.930 1.00 0.00 H new ATOM 0 HE3 TRP A 37 4.053 8.541 -2.800 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 3.957 13.470 -2.098 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.424 9.574 -1.275 1.00 0.00 H new ATOM 0 HH2 TRP A 37 2.373 12.003 -0.936 1.00 0.00 H new ATOM 528 N LYS A 38 7.358 5.683 -3.634 1.00 0.00 N ATOM 529 CA LYS A 38 7.535 4.291 -3.990 1.00 0.00 C ATOM 530 C LYS A 38 6.167 3.615 -4.021 1.00 0.00 C ATOM 531 O LYS A 38 5.360 3.803 -3.110 1.00 0.00 O ATOM 532 CB LYS A 38 8.516 3.627 -2.982 1.00 0.00 C ATOM 533 CG LYS A 38 8.837 2.140 -3.193 1.00 0.00 C ATOM 534 CD LYS A 38 7.805 1.220 -2.559 1.00 0.00 C ATOM 535 CE LYS A 38 8.144 -0.248 -2.769 1.00 0.00 C ATOM 536 NZ LYS A 38 8.053 -0.650 -4.189 1.00 0.00 N ATOM 0 H LYS A 38 6.946 5.820 -2.711 1.00 0.00 H new ATOM 0 HA LYS A 38 7.975 4.187 -4.982 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.454 4.182 -3.007 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.103 3.745 -1.980 1.00 0.00 H new ATOM 0 HG2 LYS A 38 8.894 1.933 -4.262 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.819 1.922 -2.773 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.741 1.428 -1.491 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.823 1.430 -2.984 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.153 -0.441 -2.404 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.467 -0.863 -2.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.091 -1.687 -4.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.156 -0.308 -4.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.848 -0.238 -4.718 1.00 0.00 H new ATOM 550 N LYS A 39 5.911 2.855 -5.065 1.00 0.00 N ATOM 551 CA LYS A 39 4.623 2.205 -5.255 1.00 0.00 C ATOM 552 C LYS A 39 4.518 0.912 -4.449 1.00 0.00 C ATOM 553 O LYS A 39 5.403 0.055 -4.508 1.00 0.00 O ATOM 554 CB LYS A 39 4.411 1.894 -6.733 1.00 0.00 C ATOM 555 CG LYS A 39 3.035 1.312 -7.067 1.00 0.00 C ATOM 556 CD LYS A 39 2.929 0.918 -8.533 1.00 0.00 C ATOM 557 CE LYS A 39 3.906 -0.197 -8.875 1.00 0.00 C ATOM 558 NZ LYS A 39 3.824 -0.598 -10.287 1.00 0.00 N ATOM 0 H LYS A 39 6.586 2.668 -5.807 1.00 0.00 H new ATOM 0 HA LYS A 39 3.853 2.891 -4.902 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.554 2.809 -7.308 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.178 1.190 -7.057 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.848 0.439 -6.442 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.263 2.045 -6.831 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.912 0.594 -8.753 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.129 1.786 -9.161 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.921 0.131 -8.651 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.704 -1.061 -8.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.508 -1.360 -10.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.863 -0.937 -10.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.043 0.218 -10.893 1.00 0.00 H new ATOM 572 N ASN A 40 3.456 0.801 -3.701 1.00 0.00 N ATOM 573 CA ASN A 40 3.133 -0.385 -2.923 1.00 0.00 C ATOM 574 C ASN A 40 2.146 -1.244 -3.735 1.00 0.00 C ATOM 575 O ASN A 40 1.548 -0.742 -4.694 1.00 0.00 O ATOM 576 CB ASN A 40 2.520 0.054 -1.564 1.00 0.00 C ATOM 577 CG ASN A 40 2.175 -1.089 -0.610 1.00 0.00 C ATOM 578 OD1 ASN A 40 2.753 -2.175 -0.670 1.00 0.00 O ATOM 579 ND2 ASN A 40 1.270 -0.836 0.296 1.00 0.00 N ATOM 0 H ASN A 40 2.767 1.547 -3.606 1.00 0.00 H new ATOM 0 HA ASN A 40 4.025 -0.977 -2.717 1.00 0.00 H new ATOM 0 HB2 ASN A 40 3.221 0.723 -1.066 1.00 0.00 H new ATOM 0 HB3 ASN A 40 1.615 0.629 -1.760 1.00 0.00 H new ATOM 0 HD21 ASN A 40 1.022 -1.549 0.983 1.00 0.00 H new ATOM 0 HD22 ASN A 40 0.810 0.074 0.317 1.00 0.00 H new ATOM 586 N GLN A 41 1.951 -2.497 -3.325 1.00 0.00 N ATOM 587 CA GLN A 41 1.091 -3.500 -4.011 1.00 0.00 C ATOM 588 C GLN A 41 -0.318 -2.984 -4.299 1.00 0.00 C ATOM 589 O GLN A 41 -0.962 -3.397 -5.256 1.00 0.00 O ATOM 590 CB GLN A 41 0.944 -4.737 -3.140 1.00 0.00 C ATOM 591 CG GLN A 41 2.230 -5.447 -2.796 1.00 0.00 C ATOM 592 CD GLN A 41 1.979 -6.622 -1.882 1.00 0.00 C ATOM 593 OE1 GLN A 41 0.922 -7.250 -1.927 1.00 0.00 O ATOM 594 NE2 GLN A 41 2.915 -6.914 -1.035 1.00 0.00 N ATOM 0 H GLN A 41 2.393 -2.867 -2.484 1.00 0.00 H new ATOM 0 HA GLN A 41 1.585 -3.721 -4.957 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.449 -4.450 -2.212 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.285 -5.441 -3.648 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.714 -5.791 -3.710 1.00 0.00 H new ATOM 0 HG3 GLN A 41 2.916 -4.749 -2.315 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.780 -6.373 -1.024 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.787 -7.685 -0.379 1.00 0.00 H new ATOM 603 N TYR A 42 -0.777 -2.072 -3.493 1.00 0.00 N ATOM 604 CA TYR A 42 -2.134 -1.569 -3.597 1.00 0.00 C ATOM 605 C TYR A 42 -2.226 -0.394 -4.583 1.00 0.00 C ATOM 606 O TYR A 42 -3.256 0.296 -4.677 1.00 0.00 O ATOM 607 CB TYR A 42 -2.629 -1.197 -2.196 1.00 0.00 C ATOM 608 CG TYR A 42 -2.520 -2.368 -1.232 1.00 0.00 C ATOM 609 CD1 TYR A 42 -3.401 -3.439 -1.309 1.00 0.00 C ATOM 610 CD2 TYR A 42 -1.509 -2.423 -0.283 1.00 0.00 C ATOM 611 CE1 TYR A 42 -3.280 -4.521 -0.467 1.00 0.00 C ATOM 612 CE2 TYR A 42 -1.377 -3.510 0.556 1.00 0.00 C ATOM 613 CZ TYR A 42 -2.266 -4.555 0.462 1.00 0.00 C ATOM 614 OH TYR A 42 -2.133 -5.652 1.290 1.00 0.00 O ATOM 0 H TYR A 42 -0.230 -1.650 -2.743 1.00 0.00 H new ATOM 0 HA TYR A 42 -2.783 -2.346 -4.002 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.048 -0.357 -1.816 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -3.666 -0.867 -2.252 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -4.194 -3.422 -2.042 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -0.814 -1.601 -0.200 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -3.979 -5.341 -0.535 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -0.579 -3.540 1.283 1.00 0.00 H new ATOM 0 HH TYR A 42 -1.368 -5.520 1.888 1.00 0.00 H new ATOM 624 N GLY A 43 -1.139 -0.171 -5.319 1.00 0.00 N ATOM 625 CA GLY A 43 -1.088 0.888 -6.307 1.00 0.00 C ATOM 626 C GLY A 43 -0.935 2.227 -5.649 1.00 0.00 C ATOM 627 O GLY A 43 -1.140 3.268 -6.261 1.00 0.00 O ATOM 0 H GLY A 43 -0.281 -0.717 -5.244 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.255 0.716 -6.988 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.998 0.875 -6.907 1.00 0.00 H new ATOM 631 N THR A 44 -0.589 2.185 -4.405 1.00 0.00 N ATOM 632 CA THR A 44 -0.453 3.344 -3.616 1.00 0.00 C ATOM 633 C THR A 44 1.003 3.760 -3.597 1.00 0.00 C ATOM 634 O THR A 44 1.877 2.944 -3.317 1.00 0.00 O ATOM 635 CB THR A 44 -0.892 3.029 -2.193 1.00 0.00 C ATOM 636 OG1 THR A 44 -2.115 2.280 -2.241 1.00 0.00 O ATOM 637 CG2 THR A 44 -1.124 4.309 -1.435 1.00 0.00 C ATOM 0 H THR A 44 -0.390 1.318 -3.905 1.00 0.00 H new ATOM 0 HA THR A 44 -1.066 4.146 -4.028 1.00 0.00 H new ATOM 0 HB THR A 44 -0.116 2.451 -1.691 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.127 1.626 -1.511 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.438 4.077 -0.417 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.201 4.888 -1.407 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.901 4.890 -1.931 1.00 0.00 H new ATOM 645 N TRP A 45 1.259 4.981 -3.912 1.00 0.00 N ATOM 646 CA TRP A 45 2.601 5.491 -3.887 1.00 0.00 C ATOM 647 C TRP A 45 2.826 6.163 -2.561 1.00 0.00 C ATOM 648 O TRP A 45 2.085 7.076 -2.207 1.00 0.00 O ATOM 649 CB TRP A 45 2.813 6.476 -5.026 1.00 0.00 C ATOM 650 CG TRP A 45 2.752 5.858 -6.397 1.00 0.00 C ATOM 651 CD1 TRP A 45 1.631 5.505 -7.102 1.00 0.00 C ATOM 652 CD2 TRP A 45 3.864 5.545 -7.235 1.00 0.00 C ATOM 653 NE1 TRP A 45 1.989 4.979 -8.319 1.00 0.00 N ATOM 654 CE2 TRP A 45 3.352 4.998 -8.427 1.00 0.00 C ATOM 655 CE3 TRP A 45 5.248 5.670 -7.093 1.00 0.00 C ATOM 656 CZ2 TRP A 45 4.176 4.580 -9.466 1.00 0.00 C ATOM 657 CZ3 TRP A 45 6.061 5.255 -8.125 1.00 0.00 C ATOM 658 CH2 TRP A 45 5.526 4.717 -9.297 1.00 0.00 C ATOM 0 H TRP A 45 0.552 5.660 -4.195 1.00 0.00 H new ATOM 0 HA TRP A 45 3.313 4.675 -4.014 1.00 0.00 H new ATOM 0 HB2 TRP A 45 2.058 7.259 -4.959 1.00 0.00 H new ATOM 0 HB3 TRP A 45 3.783 6.957 -4.900 1.00 0.00 H new ATOM 0 HD1 TRP A 45 0.616 5.623 -6.752 1.00 0.00 H new ATOM 0 HE1 TRP A 45 1.343 4.631 -9.027 1.00 0.00 H new ATOM 0 HE3 TRP A 45 5.673 6.084 -6.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 3.765 4.162 -10.373 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 7.132 5.348 -8.025 1.00 0.00 H new ATOM 0 HH2 TRP A 45 6.192 4.402 -10.087 1.00 0.00 H new ATOM 669 N TYR A 46 3.797 5.701 -1.816 1.00 0.00 N ATOM 670 CA TYR A 46 4.059 6.253 -0.509 1.00 0.00 C ATOM 671 C TYR A 46 5.454 6.814 -0.427 1.00 0.00 C ATOM 672 O TYR A 46 6.364 6.326 -1.107 1.00 0.00 O ATOM 673 CB TYR A 46 3.822 5.210 0.614 1.00 0.00 C ATOM 674 CG TYR A 46 4.770 4.016 0.640 1.00 0.00 C ATOM 675 CD1 TYR A 46 4.500 2.872 -0.092 1.00 0.00 C ATOM 676 CD2 TYR A 46 5.922 4.034 1.423 1.00 0.00 C ATOM 677 CE1 TYR A 46 5.348 1.782 -0.050 1.00 0.00 C ATOM 678 CE2 TYR A 46 6.770 2.946 1.472 1.00 0.00 C ATOM 679 CZ TYR A 46 6.480 1.825 0.730 1.00 0.00 C ATOM 680 OH TYR A 46 7.317 0.730 0.781 1.00 0.00 O ATOM 0 H TYR A 46 4.421 4.943 -2.091 1.00 0.00 H new ATOM 0 HA TYR A 46 3.352 7.068 -0.357 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.889 5.721 1.575 1.00 0.00 H new ATOM 0 HB3 TYR A 46 2.803 4.835 0.523 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.612 2.831 -0.706 1.00 0.00 H new ATOM 0 HD2 TYR A 46 6.156 4.915 2.002 1.00 0.00 H new ATOM 0 HE1 TYR A 46 5.122 0.898 -0.628 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.656 2.975 2.089 1.00 0.00 H new ATOM 0 HH TYR A 46 8.072 0.922 1.376 1.00 0.00 H new ATOM 690 N LYS A 47 5.613 7.836 0.369 1.00 0.00 N ATOM 691 CA LYS A 47 6.903 8.414 0.618 1.00 0.00 C ATOM 692 C LYS A 47 7.013 8.647 2.123 1.00 0.00 C ATOM 693 O LYS A 47 5.974 8.818 2.803 1.00 0.00 O ATOM 694 CB LYS A 47 7.094 9.762 -0.134 1.00 0.00 C ATOM 695 CG LYS A 47 6.514 10.987 0.569 1.00 0.00 C ATOM 696 CD LYS A 47 6.890 12.269 -0.151 1.00 0.00 C ATOM 697 CE LYS A 47 6.653 13.489 0.728 1.00 0.00 C ATOM 698 NZ LYS A 47 5.248 13.624 1.176 1.00 0.00 N ATOM 0 H LYS A 47 4.847 8.292 0.865 1.00 0.00 H new ATOM 0 HA LYS A 47 7.677 7.736 0.257 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.160 9.924 -0.291 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.636 9.678 -1.120 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.429 10.900 0.618 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.877 11.025 1.596 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.939 12.229 -0.445 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.305 12.359 -1.066 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.302 13.430 1.602 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.940 14.386 0.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.149 14.482 1.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.624 13.693 0.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.982 12.792 1.741 1.00 0.00 H new ATOM 712 N PRO A 48 8.215 8.616 2.681 1.00 0.00 N ATOM 713 CA PRO A 48 8.411 8.922 4.085 1.00 0.00 C ATOM 714 C PRO A 48 8.228 10.424 4.365 1.00 0.00 C ATOM 715 O PRO A 48 8.756 11.281 3.638 1.00 0.00 O ATOM 716 CB PRO A 48 9.862 8.499 4.352 1.00 0.00 C ATOM 717 CG PRO A 48 10.535 8.573 3.025 1.00 0.00 C ATOM 718 CD PRO A 48 9.483 8.244 2.006 1.00 0.00 C ATOM 0 HA PRO A 48 7.690 8.411 4.723 1.00 0.00 H new ATOM 0 HB2 PRO A 48 10.340 9.161 5.074 1.00 0.00 H new ATOM 0 HB3 PRO A 48 9.910 7.491 4.763 1.00 0.00 H new ATOM 0 HG2 PRO A 48 10.948 9.567 2.852 1.00 0.00 H new ATOM 0 HG3 PRO A 48 11.365 7.869 2.969 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.627 8.808 1.085 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.500 7.187 1.739 1.00 0.00 H new ATOM 726 N GLU A 49 7.469 10.731 5.384 1.00 0.00 N ATOM 727 CA GLU A 49 7.259 12.091 5.834 1.00 0.00 C ATOM 728 C GLU A 49 6.793 12.027 7.261 1.00 0.00 C ATOM 729 O GLU A 49 5.762 11.431 7.550 1.00 0.00 O ATOM 730 CB GLU A 49 6.222 12.816 4.955 1.00 0.00 C ATOM 731 CG GLU A 49 5.939 14.264 5.365 1.00 0.00 C ATOM 732 CD GLU A 49 5.009 14.964 4.403 1.00 0.00 C ATOM 733 OE1 GLU A 49 5.449 15.270 3.275 1.00 0.00 O ATOM 734 OE2 GLU A 49 3.833 15.225 4.741 1.00 0.00 O ATOM 0 H GLU A 49 6.969 10.035 5.937 1.00 0.00 H new ATOM 0 HA GLU A 49 8.187 12.657 5.758 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.570 12.806 3.922 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.287 12.256 4.981 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.502 14.277 6.363 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.879 14.813 5.422 1.00 0.00 H new ATOM 741 N ASN A 50 7.529 12.635 8.136 1.00 0.00 N ATOM 742 CA ASN A 50 7.226 12.567 9.540 1.00 0.00 C ATOM 743 C ASN A 50 6.679 13.881 10.020 1.00 0.00 C ATOM 744 O ASN A 50 7.375 14.900 9.992 1.00 0.00 O ATOM 745 CB ASN A 50 8.464 12.187 10.353 1.00 0.00 C ATOM 746 CG ASN A 50 8.193 12.060 11.853 1.00 0.00 C ATOM 747 OD1 ASN A 50 9.050 12.386 12.676 1.00 0.00 O ATOM 748 ND2 ASN A 50 7.039 11.542 12.233 1.00 0.00 N ATOM 0 H ASN A 50 8.353 13.190 7.905 1.00 0.00 H new ATOM 0 HA ASN A 50 6.472 11.793 9.684 1.00 0.00 H new ATOM 0 HB2 ASN A 50 8.857 11.241 9.981 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.238 12.938 10.194 1.00 0.00 H new ATOM 0 HD21 ASN A 50 6.843 11.405 13.225 1.00 0.00 H new ATOM 0 HD22 ASN A 50 6.343 11.279 11.535 1.00 0.00 H new ATOM 755 N ALA A 51 5.445 13.849 10.442 1.00 0.00 N ATOM 756 CA ALA A 51 4.752 15.000 10.954 1.00 0.00 C ATOM 757 C ALA A 51 3.573 14.513 11.758 1.00 0.00 C ATOM 758 O ALA A 51 3.342 13.292 11.830 1.00 0.00 O ATOM 759 CB ALA A 51 4.288 15.891 9.818 1.00 0.00 C ATOM 0 H ALA A 51 4.879 13.001 10.439 1.00 0.00 H new ATOM 0 HA ALA A 51 5.419 15.590 11.583 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.766 16.757 10.225 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.151 16.225 9.242 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.613 15.332 9.169 1.00 0.00 H new ATOM 765 N THR A 52 2.826 15.409 12.334 1.00 0.00 N ATOM 766 CA THR A 52 1.701 15.020 13.144 1.00 0.00 C ATOM 767 C THR A 52 0.400 15.543 12.511 1.00 0.00 C ATOM 768 O THR A 52 0.420 16.510 11.751 1.00 0.00 O ATOM 769 CB THR A 52 1.883 15.579 14.580 1.00 0.00 C ATOM 770 OG1 THR A 52 3.208 15.258 15.029 1.00 0.00 O ATOM 771 CG2 THR A 52 0.887 14.972 15.556 1.00 0.00 C ATOM 0 H THR A 52 2.973 16.416 12.260 1.00 0.00 H new ATOM 0 HA THR A 52 1.642 13.933 13.198 1.00 0.00 H new ATOM 0 HB THR A 52 1.718 16.656 14.548 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.340 15.606 15.935 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.049 15.391 16.549 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.128 15.198 15.228 1.00 0.00 H new ATOM 0 HG23 THR A 52 1.024 13.891 15.591 1.00 0.00 H new ATOM 779 N PHE A 53 -0.682 14.863 12.746 1.00 0.00 N ATOM 780 CA PHE A 53 -1.976 15.285 12.293 1.00 0.00 C ATOM 781 C PHE A 53 -2.915 15.360 13.478 1.00 0.00 C ATOM 782 O PHE A 53 -3.017 14.415 14.261 1.00 0.00 O ATOM 783 CB PHE A 53 -2.531 14.321 11.228 1.00 0.00 C ATOM 784 CG PHE A 53 -3.916 14.665 10.751 1.00 0.00 C ATOM 785 CD1 PHE A 53 -4.114 15.694 9.847 1.00 0.00 C ATOM 786 CD2 PHE A 53 -5.018 13.957 11.207 1.00 0.00 C ATOM 787 CE1 PHE A 53 -5.381 16.012 9.406 1.00 0.00 C ATOM 788 CE2 PHE A 53 -6.286 14.273 10.770 1.00 0.00 C ATOM 789 CZ PHE A 53 -6.468 15.302 9.870 1.00 0.00 C ATOM 0 H PHE A 53 -0.692 13.986 13.266 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.887 16.269 11.833 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.855 14.313 10.373 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.539 13.311 11.637 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.266 16.255 9.483 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.881 13.150 11.912 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.522 16.816 8.698 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -7.137 13.715 11.132 1.00 0.00 H new ATOM 0 HZ PHE A 53 -7.462 15.552 9.529 1.00 0.00 H new ATOM 799 N VAL A 54 -3.560 16.474 13.626 1.00 0.00 N ATOM 800 CA VAL A 54 -4.530 16.667 14.667 1.00 0.00 C ATOM 801 C VAL A 54 -5.884 16.789 14.002 1.00 0.00 C ATOM 802 O VAL A 54 -6.117 17.737 13.247 1.00 0.00 O ATOM 803 CB VAL A 54 -4.248 17.958 15.488 1.00 0.00 C ATOM 804 CG1 VAL A 54 -5.237 18.100 16.635 1.00 0.00 C ATOM 805 CG2 VAL A 54 -2.816 17.979 16.015 1.00 0.00 C ATOM 0 H VAL A 54 -3.429 17.286 13.023 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.489 15.825 15.358 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.374 18.807 14.816 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.018 19.010 17.193 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.250 18.153 16.237 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.152 17.239 17.298 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.651 18.894 16.584 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.653 17.116 16.660 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.119 17.942 15.177 1.00 0.00 H new ATOM 815 N ASN A 55 -6.747 15.818 14.219 1.00 0.00 N ATOM 816 CA ASN A 55 -8.070 15.840 13.602 1.00 0.00 C ATOM 817 C ASN A 55 -8.889 17.010 14.150 1.00 0.00 C ATOM 818 O ASN A 55 -8.918 17.242 15.370 1.00 0.00 O ATOM 819 CB ASN A 55 -8.806 14.509 13.786 1.00 0.00 C ATOM 820 CG ASN A 55 -10.122 14.511 13.042 1.00 0.00 C ATOM 821 OD1 ASN A 55 -10.267 15.204 12.052 1.00 0.00 O ATOM 822 ND2 ASN A 55 -11.068 13.732 13.483 1.00 0.00 N ATOM 0 H ASN A 55 -6.565 15.008 14.811 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.939 15.982 12.529 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -8.182 13.691 13.426 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -8.984 14.331 14.847 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -11.963 13.690 12.995 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -10.914 13.164 14.316 1.00 0.00 H new ATOM 829 N GLY A 56 -9.575 17.715 13.270 1.00 0.00 N ATOM 830 CA GLY A 56 -10.203 18.939 13.660 1.00 0.00 C ATOM 831 C GLY A 56 -11.710 18.982 13.513 1.00 0.00 C ATOM 832 O GLY A 56 -12.431 18.699 14.468 1.00 0.00 O ATOM 0 H GLY A 56 -9.704 17.455 12.292 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.953 19.138 14.702 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.776 19.749 13.069 1.00 0.00 H new ATOM 836 N ASN A 57 -12.194 19.276 12.316 1.00 0.00 N ATOM 837 CA ASN A 57 -13.613 19.628 12.159 1.00 0.00 C ATOM 838 C ASN A 57 -14.575 18.457 12.148 1.00 0.00 C ATOM 839 O ASN A 57 -15.760 18.642 12.453 1.00 0.00 O ATOM 840 CB ASN A 57 -13.902 20.568 10.960 1.00 0.00 C ATOM 841 CG ASN A 57 -13.697 19.942 9.583 1.00 0.00 C ATOM 842 OD1 ASN A 57 -12.579 20.201 8.963 1.00 0.00 O flip ATOM 843 ND2 ASN A 57 -14.585 19.294 9.053 1.00 0.00 N flip ATOM 0 H ASN A 57 -11.649 19.281 11.454 1.00 0.00 H new ATOM 0 HA ASN A 57 -13.809 20.181 13.077 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -14.931 20.919 11.033 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -13.260 21.445 11.043 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -15.450 19.105 9.559 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -14.462 18.941 8.104 1.00 0.00 H new ATOM 850 N GLN A 58 -14.121 17.274 11.813 1.00 0.00 N ATOM 851 CA GLN A 58 -15.030 16.153 11.773 1.00 0.00 C ATOM 852 C GLN A 58 -14.278 14.854 12.033 1.00 0.00 C ATOM 853 O GLN A 58 -13.094 14.776 11.761 1.00 0.00 O ATOM 854 CB GLN A 58 -15.817 16.144 10.427 1.00 0.00 C ATOM 855 CG GLN A 58 -15.007 15.812 9.165 1.00 0.00 C ATOM 856 CD GLN A 58 -14.983 14.327 8.823 1.00 0.00 C ATOM 857 OE1 GLN A 58 -16.083 13.657 9.027 1.00 0.00 O flip ATOM 858 NE2 GLN A 58 -14.009 13.808 8.290 1.00 0.00 N flip ATOM 0 H GLN A 58 -13.153 17.064 11.570 1.00 0.00 H new ATOM 0 HA GLN A 58 -15.769 16.251 12.568 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -16.630 15.422 10.511 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -16.274 17.124 10.292 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -15.424 16.363 8.322 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -13.983 16.161 9.299 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -13.159 14.352 8.141 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -14.048 12.832 7.996 1.00 0.00 H new ATOM 867 N PRO A 59 -14.932 13.843 12.624 1.00 0.00 N ATOM 868 CA PRO A 59 -14.308 12.541 12.866 1.00 0.00 C ATOM 869 C PRO A 59 -14.063 11.835 11.542 1.00 0.00 C ATOM 870 O PRO A 59 -14.979 11.684 10.736 1.00 0.00 O ATOM 871 CB PRO A 59 -15.354 11.775 13.685 1.00 0.00 C ATOM 872 CG PRO A 59 -16.337 12.805 14.129 1.00 0.00 C ATOM 873 CD PRO A 59 -16.320 13.870 13.089 1.00 0.00 C ATOM 0 HA PRO A 59 -13.347 12.617 13.375 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -15.836 11.004 13.084 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -14.896 11.274 14.538 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -17.333 12.375 14.229 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -16.064 13.209 15.104 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -17.022 13.659 12.282 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -16.590 14.842 13.501 1.00 0.00 H new ATOM 881 N ILE A 60 -12.885 11.336 11.348 1.00 0.00 N ATOM 882 CA ILE A 60 -12.526 10.812 10.058 1.00 0.00 C ATOM 883 C ILE A 60 -12.489 9.309 10.132 1.00 0.00 C ATOM 884 O ILE A 60 -11.849 8.747 11.010 1.00 0.00 O ATOM 885 CB ILE A 60 -11.117 11.303 9.620 1.00 0.00 C ATOM 886 CG1 ILE A 60 -11.005 12.826 9.709 1.00 0.00 C ATOM 887 CG2 ILE A 60 -10.824 10.848 8.201 1.00 0.00 C ATOM 888 CD1 ILE A 60 -9.625 13.354 9.358 1.00 0.00 C ATOM 0 H ILE A 60 -12.155 11.277 12.058 1.00 0.00 H new ATOM 0 HA ILE A 60 -13.266 11.158 9.336 1.00 0.00 H new ATOM 0 HB ILE A 60 -10.385 10.868 10.300 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -11.738 13.276 9.040 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -11.260 13.143 10.720 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -9.835 11.197 7.904 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -10.854 9.759 8.155 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -11.573 11.261 7.525 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -9.619 14.441 9.442 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -8.889 12.933 10.043 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -9.375 13.068 8.336 1.00 0.00 H new ATOM 900 N VAL A 61 -13.182 8.657 9.246 1.00 0.00 N ATOM 901 CA VAL A 61 -13.154 7.229 9.239 1.00 0.00 C ATOM 902 C VAL A 61 -11.881 6.776 8.503 1.00 0.00 C ATOM 903 O VAL A 61 -11.486 7.370 7.491 1.00 0.00 O ATOM 904 CB VAL A 61 -14.445 6.607 8.624 1.00 0.00 C ATOM 905 CG1 VAL A 61 -14.560 6.837 7.125 1.00 0.00 C ATOM 906 CG2 VAL A 61 -14.573 5.137 8.994 1.00 0.00 C ATOM 0 H VAL A 61 -13.766 9.086 8.528 1.00 0.00 H new ATOM 0 HA VAL A 61 -13.130 6.866 10.267 1.00 0.00 H new ATOM 0 HB VAL A 61 -15.291 7.134 9.065 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -15.479 6.381 6.756 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -14.580 7.908 6.922 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -13.704 6.388 6.621 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -15.482 4.728 8.552 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -13.709 4.590 8.617 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -14.620 5.038 10.078 1.00 0.00 H new ATOM 916 N THR A 62 -11.230 5.787 9.027 1.00 0.00 N ATOM 917 CA THR A 62 -9.975 5.352 8.487 1.00 0.00 C ATOM 918 C THR A 62 -10.115 3.988 7.830 1.00 0.00 C ATOM 919 O THR A 62 -11.158 3.332 7.959 1.00 0.00 O ATOM 920 CB THR A 62 -8.901 5.316 9.594 1.00 0.00 C ATOM 921 OG1 THR A 62 -9.342 4.487 10.675 1.00 0.00 O ATOM 922 CG2 THR A 62 -8.628 6.715 10.125 1.00 0.00 C ATOM 0 H THR A 62 -11.549 5.258 9.838 1.00 0.00 H new ATOM 0 HA THR A 62 -9.662 6.064 7.723 1.00 0.00 H new ATOM 0 HB THR A 62 -7.985 4.911 9.164 1.00 0.00 H new ATOM 0 HG1 THR A 62 -10.275 4.225 10.527 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.868 6.666 10.905 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.275 7.350 9.313 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.546 7.133 10.539 1.00 0.00 H new ATOM 930 N ARG A 63 -9.094 3.570 7.127 1.00 0.00 N ATOM 931 CA ARG A 63 -9.113 2.303 6.443 1.00 0.00 C ATOM 932 C ARG A 63 -8.042 1.408 7.007 1.00 0.00 C ATOM 933 O ARG A 63 -6.919 1.860 7.287 1.00 0.00 O ATOM 934 CB ARG A 63 -8.951 2.502 4.937 1.00 0.00 C ATOM 935 CG ARG A 63 -10.028 3.399 4.341 1.00 0.00 C ATOM 936 CD ARG A 63 -11.414 2.811 4.510 1.00 0.00 C ATOM 937 NE ARG A 63 -12.462 3.796 4.235 1.00 0.00 N ATOM 938 CZ ARG A 63 -13.759 3.504 4.111 1.00 0.00 C ATOM 939 NH1 ARG A 63 -14.152 2.237 3.947 1.00 0.00 N ATOM 940 NH2 ARG A 63 -14.662 4.481 4.099 1.00 0.00 N ATOM 0 H ARG A 63 -8.228 4.097 7.013 1.00 0.00 H new ATOM 0 HA ARG A 63 -10.077 1.820 6.601 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.971 2.935 4.736 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -8.978 1.531 4.442 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.989 4.378 4.818 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.826 3.553 3.281 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.531 1.959 3.840 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -11.527 2.435 5.527 1.00 0.00 H new ATOM 0 HE ARG A 63 -12.182 4.771 4.131 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -13.460 1.488 3.916 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -15.144 2.019 3.853 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -14.363 5.453 4.184 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -15.653 4.258 4.004 1.00 0.00 H new ATOM 954 N ILE A 64 -8.386 0.162 7.188 1.00 0.00 N ATOM 955 CA ILE A 64 -7.514 -0.783 7.834 1.00 0.00 C ATOM 956 C ILE A 64 -6.763 -1.655 6.819 1.00 0.00 C ATOM 957 O ILE A 64 -7.361 -2.250 5.909 1.00 0.00 O ATOM 958 CB ILE A 64 -8.314 -1.686 8.820 1.00 0.00 C ATOM 959 CG1 ILE A 64 -9.069 -0.815 9.847 1.00 0.00 C ATOM 960 CG2 ILE A 64 -7.382 -2.668 9.539 1.00 0.00 C ATOM 961 CD1 ILE A 64 -9.938 -1.601 10.813 1.00 0.00 C ATOM 0 H ILE A 64 -9.281 -0.228 6.891 1.00 0.00 H new ATOM 0 HA ILE A 64 -6.776 -0.208 8.393 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.039 -2.263 8.245 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -8.343 -0.236 10.418 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.695 -0.102 9.311 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.963 -3.288 10.222 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -6.887 -3.303 8.805 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -6.632 -2.112 10.102 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -10.432 -0.914 11.500 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -10.690 -2.159 10.255 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -9.317 -2.295 11.379 1.00 0.00 H new ATOM 973 N GLY A 65 -5.451 -1.655 6.951 1.00 0.00 N ATOM 974 CA GLY A 65 -4.565 -2.524 6.205 1.00 0.00 C ATOM 975 C GLY A 65 -4.263 -2.094 4.785 1.00 0.00 C ATOM 976 O GLY A 65 -3.237 -2.481 4.223 1.00 0.00 O ATOM 0 H GLY A 65 -4.961 -1.035 7.596 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.623 -2.605 6.748 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -5.004 -3.522 6.177 1.00 0.00 H new ATOM 980 N SER A 66 -5.107 -1.307 4.193 1.00 0.00 N ATOM 981 CA SER A 66 -4.902 -0.902 2.826 1.00 0.00 C ATOM 982 C SER A 66 -5.547 0.454 2.581 1.00 0.00 C ATOM 983 O SER A 66 -6.619 0.722 3.109 1.00 0.00 O ATOM 984 CB SER A 66 -5.520 -1.956 1.885 1.00 0.00 C ATOM 985 OG SER A 66 -5.005 -3.263 2.162 1.00 0.00 O ATOM 0 H SER A 66 -5.947 -0.929 4.631 1.00 0.00 H new ATOM 0 HA SER A 66 -3.833 -0.821 2.629 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.604 -1.958 1.999 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.309 -1.691 0.849 1.00 0.00 H new ATOM 0 HG SER A 66 -4.435 -3.554 1.420 1.00 0.00 H new ATOM 991 N PRO A 67 -4.880 1.351 1.853 1.00 0.00 N ATOM 992 CA PRO A 67 -5.475 2.604 1.468 1.00 0.00 C ATOM 993 C PRO A 67 -6.204 2.477 0.120 1.00 0.00 C ATOM 994 O PRO A 67 -5.599 2.127 -0.888 1.00 0.00 O ATOM 995 CB PRO A 67 -4.275 3.543 1.350 1.00 0.00 C ATOM 996 CG PRO A 67 -3.091 2.659 1.075 1.00 0.00 C ATOM 997 CD PRO A 67 -3.490 1.235 1.383 1.00 0.00 C ATOM 0 HA PRO A 67 -6.224 2.954 2.178 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -4.420 4.264 0.546 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -4.133 4.113 2.268 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -2.780 2.751 0.034 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -2.241 2.958 1.689 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.418 0.600 0.500 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -2.846 0.795 2.145 1.00 0.00 H new ATOM 1005 N PHE A 68 -7.485 2.760 0.143 1.00 0.00 N ATOM 1006 CA PHE A 68 -8.418 2.741 -0.987 1.00 0.00 C ATOM 1007 C PHE A 68 -9.660 3.410 -0.477 1.00 0.00 C ATOM 1008 O PHE A 68 -9.808 3.559 0.741 1.00 0.00 O ATOM 1009 CB PHE A 68 -8.855 1.316 -1.437 1.00 0.00 C ATOM 1010 CG PHE A 68 -7.823 0.417 -2.044 1.00 0.00 C ATOM 1011 CD1 PHE A 68 -7.465 0.555 -3.373 1.00 0.00 C ATOM 1012 CD2 PHE A 68 -7.244 -0.597 -1.300 1.00 0.00 C ATOM 1013 CE1 PHE A 68 -6.547 -0.295 -3.947 1.00 0.00 C ATOM 1014 CE2 PHE A 68 -6.321 -1.444 -1.867 1.00 0.00 C ATOM 1015 CZ PHE A 68 -5.973 -1.296 -3.196 1.00 0.00 C ATOM 0 H PHE A 68 -7.948 3.031 1.010 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.929 3.214 -1.839 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -9.271 0.806 -0.568 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -9.664 1.428 -2.159 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.911 1.339 -3.967 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.520 -0.724 -0.264 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.277 -0.177 -4.986 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.868 -2.225 -1.274 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.253 -1.964 -3.645 1.00 0.00 H new ATOM 1025 N LEU A 69 -10.554 3.774 -1.347 1.00 0.00 N ATOM 1026 CA LEU A 69 -11.822 4.348 -0.931 1.00 0.00 C ATOM 1027 C LEU A 69 -12.794 3.240 -0.546 1.00 0.00 C ATOM 1028 O LEU A 69 -13.770 3.465 0.157 1.00 0.00 O ATOM 1029 CB LEU A 69 -12.419 5.210 -2.042 1.00 0.00 C ATOM 1030 CG LEU A 69 -11.617 6.447 -2.434 1.00 0.00 C ATOM 1031 CD1 LEU A 69 -12.269 7.146 -3.599 1.00 0.00 C ATOM 1032 CD2 LEU A 69 -11.501 7.397 -1.264 1.00 0.00 C ATOM 0 H LEU A 69 -10.438 3.688 -2.357 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.644 4.984 -0.064 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.546 4.588 -2.928 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.414 5.530 -1.732 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.617 6.128 -2.727 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.686 8.027 -3.868 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.315 6.468 -4.451 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.279 7.450 -3.322 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.926 8.273 -1.563 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -12.497 7.707 -0.947 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.997 6.896 -0.437 1.00 0.00 H new ATOM 1044 N ASN A 70 -12.515 2.045 -1.015 1.00 0.00 N ATOM 1045 CA ASN A 70 -13.355 0.884 -0.739 1.00 0.00 C ATOM 1046 C ASN A 70 -12.630 -0.084 0.169 1.00 0.00 C ATOM 1047 O ASN A 70 -12.995 -1.260 0.268 1.00 0.00 O ATOM 1048 CB ASN A 70 -13.753 0.172 -2.043 1.00 0.00 C ATOM 1049 CG ASN A 70 -14.627 1.014 -2.947 1.00 0.00 C ATOM 1050 OD1 ASN A 70 -14.132 1.767 -3.792 1.00 0.00 O ATOM 1051 ND2 ASN A 70 -15.920 0.900 -2.793 1.00 0.00 N ATOM 0 H ASN A 70 -11.703 1.843 -1.598 1.00 0.00 H new ATOM 0 HA ASN A 70 -14.260 1.234 -0.243 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -12.850 -0.110 -2.584 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -14.279 -0.751 -1.798 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -16.553 1.442 -3.380 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -16.296 0.269 -2.085 1.00 0.00 H new ATOM 1058 N ALA A 71 -11.625 0.416 0.855 1.00 0.00 N ATOM 1059 CA ALA A 71 -10.816 -0.394 1.754 1.00 0.00 C ATOM 1060 C ALA A 71 -11.598 -0.727 3.030 1.00 0.00 C ATOM 1061 O ALA A 71 -12.555 -0.001 3.372 1.00 0.00 O ATOM 1062 CB ALA A 71 -9.543 0.349 2.099 1.00 0.00 C ATOM 0 H ALA A 71 -11.342 1.395 0.809 1.00 0.00 H new ATOM 0 HA ALA A 71 -10.563 -1.329 1.255 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.938 -0.259 2.772 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.980 0.550 1.187 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.793 1.292 2.586 1.00 0.00 H new ATOM 1068 N PRO A 72 -11.215 -1.829 3.738 1.00 0.00 N ATOM 1069 CA PRO A 72 -11.877 -2.278 4.974 1.00 0.00 C ATOM 1070 C PRO A 72 -12.124 -1.159 5.982 1.00 0.00 C ATOM 1071 O PRO A 72 -11.204 -0.401 6.359 1.00 0.00 O ATOM 1072 CB PRO A 72 -10.891 -3.288 5.547 1.00 0.00 C ATOM 1073 CG PRO A 72 -10.260 -3.886 4.350 1.00 0.00 C ATOM 1074 CD PRO A 72 -10.116 -2.760 3.366 1.00 0.00 C ATOM 0 HA PRO A 72 -12.870 -2.676 4.765 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -10.154 -2.807 6.189 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.396 -4.042 6.151 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -9.290 -4.321 4.593 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -10.875 -4.688 3.941 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -9.140 -2.281 3.445 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -10.217 -3.110 2.339 1.00 0.00 H new ATOM 1082 N VAL A 73 -13.355 -1.073 6.396 1.00 0.00 N ATOM 1083 CA VAL A 73 -13.822 -0.090 7.329 1.00 0.00 C ATOM 1084 C VAL A 73 -13.904 -0.758 8.726 1.00 0.00 C ATOM 1085 O VAL A 73 -13.721 -1.982 8.835 1.00 0.00 O ATOM 1086 CB VAL A 73 -15.213 0.460 6.852 1.00 0.00 C ATOM 1087 CG1 VAL A 73 -16.314 -0.593 6.916 1.00 0.00 C ATOM 1088 CG2 VAL A 73 -15.616 1.745 7.564 1.00 0.00 C ATOM 0 H VAL A 73 -14.088 -1.709 6.081 1.00 0.00 H new ATOM 0 HA VAL A 73 -13.142 0.760 7.389 1.00 0.00 H new ATOM 0 HB VAL A 73 -15.083 0.715 5.800 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -17.254 -0.158 6.575 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -16.050 -1.435 6.276 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -16.426 -0.940 7.943 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -16.586 2.078 7.193 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -15.681 1.562 8.636 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -14.870 2.516 7.372 1.00 0.00 H new ATOM 1098 N GLY A 74 -14.173 0.013 9.760 1.00 0.00 N ATOM 1099 CA GLY A 74 -14.212 -0.531 11.103 1.00 0.00 C ATOM 1100 C GLY A 74 -13.178 0.122 11.983 1.00 0.00 C ATOM 1101 O GLY A 74 -12.883 -0.344 13.081 1.00 0.00 O ATOM 0 H GLY A 74 -14.367 1.012 9.698 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -15.204 -0.382 11.530 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -14.038 -1.606 11.068 1.00 0.00 H new ATOM 1105 N GLY A 75 -12.613 1.189 11.481 1.00 0.00 N ATOM 1106 CA GLY A 75 -11.683 1.967 12.225 1.00 0.00 C ATOM 1107 C GLY A 75 -11.982 3.412 12.010 1.00 0.00 C ATOM 1108 O GLY A 75 -11.988 3.872 10.868 1.00 0.00 O ATOM 0 H GLY A 75 -12.792 1.537 10.539 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.749 1.722 13.285 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.665 1.742 11.909 1.00 0.00 H new ATOM 1112 N ASN A 76 -12.259 4.125 13.050 1.00 0.00 N ATOM 1113 CA ASN A 76 -12.597 5.526 12.925 1.00 0.00 C ATOM 1114 C ASN A 76 -11.701 6.353 13.818 1.00 0.00 C ATOM 1115 O ASN A 76 -11.338 5.923 14.921 1.00 0.00 O ATOM 1116 CB ASN A 76 -14.090 5.766 13.253 1.00 0.00 C ATOM 1117 CG ASN A 76 -14.535 7.218 13.076 1.00 0.00 C ATOM 1118 OD1 ASN A 76 -14.959 7.631 11.991 1.00 0.00 O ATOM 1119 ND2 ASN A 76 -14.468 7.986 14.128 1.00 0.00 N ATOM 0 H ASN A 76 -12.261 3.770 14.006 1.00 0.00 H new ATOM 0 HA ASN A 76 -12.436 5.835 11.892 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -14.700 5.128 12.613 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -14.280 5.460 14.282 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -14.771 8.958 14.070 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -14.113 7.614 15.009 1.00 0.00 H new ATOM 1126 N LEU A 77 -11.307 7.496 13.331 1.00 0.00 N ATOM 1127 CA LEU A 77 -10.473 8.397 14.063 1.00 0.00 C ATOM 1128 C LEU A 77 -11.361 9.507 14.625 1.00 0.00 C ATOM 1129 O LEU A 77 -11.956 10.283 13.859 1.00 0.00 O ATOM 1130 CB LEU A 77 -9.413 8.998 13.133 1.00 0.00 C ATOM 1131 CG LEU A 77 -8.303 9.784 13.807 1.00 0.00 C ATOM 1132 CD1 LEU A 77 -7.456 8.861 14.668 1.00 0.00 C ATOM 1133 CD2 LEU A 77 -7.446 10.500 12.776 1.00 0.00 C ATOM 0 H LEU A 77 -11.562 7.829 12.401 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.964 7.872 14.871 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.961 8.189 12.559 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.914 9.653 12.420 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.754 10.540 14.450 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.663 9.436 15.146 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.082 8.400 15.432 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.015 8.084 14.044 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.657 11.057 13.282 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.999 9.768 12.103 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.066 11.189 12.203 1.00 0.00 H new ATOM 1145 N PRO A 78 -11.506 9.583 15.950 1.00 0.00 N ATOM 1146 CA PRO A 78 -12.372 10.573 16.584 1.00 0.00 C ATOM 1147 C PRO A 78 -11.871 12.013 16.418 1.00 0.00 C ATOM 1148 O PRO A 78 -10.722 12.258 15.995 1.00 0.00 O ATOM 1149 CB PRO A 78 -12.372 10.173 18.053 1.00 0.00 C ATOM 1150 CG PRO A 78 -11.122 9.390 18.246 1.00 0.00 C ATOM 1151 CD PRO A 78 -10.852 8.705 16.941 1.00 0.00 C ATOM 0 HA PRO A 78 -13.363 10.575 16.129 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -12.390 11.050 18.700 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -13.251 9.577 18.299 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -10.293 10.042 18.522 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -11.238 8.664 19.050 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -9.783 8.611 16.751 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -11.269 7.698 16.922 1.00 0.00 H new ATOM 1159 N ALA A 79 -12.727 12.958 16.722 1.00 0.00 N ATOM 1160 CA ALA A 79 -12.381 14.360 16.627 1.00 0.00 C ATOM 1161 C ALA A 79 -11.417 14.742 17.745 1.00 0.00 C ATOM 1162 O ALA A 79 -11.659 14.439 18.923 1.00 0.00 O ATOM 1163 CB ALA A 79 -13.632 15.222 16.669 1.00 0.00 C ATOM 0 H ALA A 79 -13.679 12.781 17.041 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.884 14.534 15.673 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -13.352 16.273 16.596 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -14.282 14.961 15.834 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -14.160 15.051 17.607 1.00 0.00 H new ATOM 1169 N GLY A 80 -10.317 15.369 17.376 1.00 0.00 N ATOM 1170 CA GLY A 80 -9.328 15.769 18.351 1.00 0.00 C ATOM 1171 C GLY A 80 -8.180 14.797 18.454 1.00 0.00 C ATOM 1172 O GLY A 80 -7.204 15.051 19.163 1.00 0.00 O ATOM 0 H GLY A 80 -10.088 15.611 16.412 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.942 16.753 18.087 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.805 15.865 19.326 1.00 0.00 H new ATOM 1176 N ALA A 81 -8.283 13.692 17.746 1.00 0.00 N ATOM 1177 CA ALA A 81 -7.255 12.679 17.777 1.00 0.00 C ATOM 1178 C ALA A 81 -5.964 13.185 17.150 1.00 0.00 C ATOM 1179 O ALA A 81 -5.966 13.734 16.037 1.00 0.00 O ATOM 1180 CB ALA A 81 -7.727 11.417 17.101 1.00 0.00 C ATOM 0 H ALA A 81 -9.074 13.474 17.140 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.046 12.446 18.821 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.936 10.668 17.136 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.610 11.037 17.615 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.977 11.632 16.062 1.00 0.00 H new ATOM 1186 N THR A 82 -4.893 13.032 17.875 1.00 0.00 N ATOM 1187 CA THR A 82 -3.588 13.456 17.453 1.00 0.00 C ATOM 1188 C THR A 82 -2.766 12.235 17.017 1.00 0.00 C ATOM 1189 O THR A 82 -2.425 11.379 17.831 1.00 0.00 O ATOM 1190 CB THR A 82 -2.907 14.182 18.621 1.00 0.00 C ATOM 1191 OG1 THR A 82 -3.780 15.238 19.053 1.00 0.00 O ATOM 1192 CG2 THR A 82 -1.565 14.772 18.211 1.00 0.00 C ATOM 0 H THR A 82 -4.903 12.599 18.798 1.00 0.00 H new ATOM 0 HA THR A 82 -3.665 14.136 16.604 1.00 0.00 H new ATOM 0 HB THR A 82 -2.720 13.468 19.423 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.368 15.718 19.802 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.114 15.278 19.065 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.905 13.974 17.872 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.714 15.488 17.402 1.00 0.00 H new ATOM 1200 N ILE A 83 -2.491 12.148 15.746 1.00 0.00 N ATOM 1201 CA ILE A 83 -1.792 11.014 15.177 1.00 0.00 C ATOM 1202 C ILE A 83 -0.464 11.457 14.584 1.00 0.00 C ATOM 1203 O ILE A 83 -0.414 12.426 13.836 1.00 0.00 O ATOM 1204 CB ILE A 83 -2.646 10.353 14.053 1.00 0.00 C ATOM 1205 CG1 ILE A 83 -3.979 9.809 14.599 1.00 0.00 C ATOM 1206 CG2 ILE A 83 -1.872 9.258 13.331 1.00 0.00 C ATOM 1207 CD1 ILE A 83 -3.841 8.724 15.657 1.00 0.00 C ATOM 0 H ILE A 83 -2.744 12.864 15.065 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.618 10.292 15.975 1.00 0.00 H new ATOM 0 HB ILE A 83 -2.875 11.134 13.328 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.548 10.638 15.021 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.562 9.413 13.767 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.499 8.820 12.555 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.977 9.684 12.877 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.585 8.485 14.044 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.831 8.404 15.981 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.303 7.873 15.238 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -3.289 9.117 16.511 1.00 0.00 H new ATOM 1219 N VAL A 84 0.595 10.774 14.927 1.00 0.00 N ATOM 1220 CA VAL A 84 1.879 11.044 14.332 1.00 0.00 C ATOM 1221 C VAL A 84 2.110 10.008 13.228 1.00 0.00 C ATOM 1222 O VAL A 84 1.738 8.843 13.382 1.00 0.00 O ATOM 1223 CB VAL A 84 3.036 11.040 15.387 1.00 0.00 C ATOM 1224 CG1 VAL A 84 3.200 9.685 16.064 1.00 0.00 C ATOM 1225 CG2 VAL A 84 4.351 11.512 14.771 1.00 0.00 C ATOM 0 H VAL A 84 0.595 10.024 15.618 1.00 0.00 H new ATOM 0 HA VAL A 84 1.881 12.048 13.908 1.00 0.00 H new ATOM 0 HB VAL A 84 2.754 11.750 16.165 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.015 9.735 16.786 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.276 9.421 16.578 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.427 8.928 15.313 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.134 11.498 15.529 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.628 10.849 13.951 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.232 12.527 14.392 1.00 0.00 H new ATOM 1235 N TYR A 85 2.651 10.427 12.120 1.00 0.00 N ATOM 1236 CA TYR A 85 2.843 9.530 11.002 1.00 0.00 C ATOM 1237 C TYR A 85 4.219 9.705 10.404 1.00 0.00 C ATOM 1238 O TYR A 85 4.866 10.752 10.603 1.00 0.00 O ATOM 1239 CB TYR A 85 1.751 9.753 9.933 1.00 0.00 C ATOM 1240 CG TYR A 85 1.656 11.186 9.426 1.00 0.00 C ATOM 1241 CD1 TYR A 85 2.420 11.619 8.350 1.00 0.00 C ATOM 1242 CD2 TYR A 85 0.804 12.099 10.028 1.00 0.00 C ATOM 1243 CE1 TYR A 85 2.336 12.916 7.895 1.00 0.00 C ATOM 1244 CE2 TYR A 85 0.716 13.396 9.575 1.00 0.00 C ATOM 1245 CZ TYR A 85 1.480 13.798 8.510 1.00 0.00 C ATOM 1246 OH TYR A 85 1.391 15.097 8.061 1.00 0.00 O ATOM 0 H TYR A 85 2.969 11.383 11.960 1.00 0.00 H new ATOM 0 HA TYR A 85 2.760 8.507 11.368 1.00 0.00 H new ATOM 0 HB2 TYR A 85 1.946 9.093 9.088 1.00 0.00 H new ATOM 0 HB3 TYR A 85 0.786 9.462 10.349 1.00 0.00 H new ATOM 0 HD1 TYR A 85 3.091 10.927 7.862 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.199 11.787 10.867 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.940 13.238 7.059 1.00 0.00 H new ATOM 0 HE2 TYR A 85 0.048 14.094 10.057 1.00 0.00 H new ATOM 0 HH TYR A 85 1.580 15.125 7.100 1.00 0.00 H new ATOM 1256 N ASP A 86 4.676 8.690 9.708 1.00 0.00 N ATOM 1257 CA ASP A 86 5.967 8.736 9.025 1.00 0.00 C ATOM 1258 C ASP A 86 5.815 8.332 7.565 1.00 0.00 C ATOM 1259 O ASP A 86 6.787 8.349 6.793 1.00 0.00 O ATOM 1260 CB ASP A 86 7.009 7.836 9.715 1.00 0.00 C ATOM 1261 CG ASP A 86 6.647 6.366 9.695 1.00 0.00 C ATOM 1262 OD1 ASP A 86 5.861 5.934 10.554 1.00 0.00 O ATOM 1263 OD2 ASP A 86 7.166 5.609 8.833 1.00 0.00 O ATOM 0 H ASP A 86 4.174 7.810 9.594 1.00 0.00 H new ATOM 0 HA ASP A 86 6.325 9.764 9.076 1.00 0.00 H new ATOM 0 HB2 ASP A 86 7.974 7.971 9.226 1.00 0.00 H new ATOM 0 HB3 ASP A 86 7.128 8.159 10.749 1.00 0.00 H new ATOM 1268 N GLU A 87 4.606 8.013 7.171 1.00 0.00 N ATOM 1269 CA GLU A 87 4.336 7.578 5.826 1.00 0.00 C ATOM 1270 C GLU A 87 3.180 8.372 5.244 1.00 0.00 C ATOM 1271 O GLU A 87 2.129 8.498 5.865 1.00 0.00 O ATOM 1272 CB GLU A 87 4.026 6.078 5.826 1.00 0.00 C ATOM 1273 CG GLU A 87 3.712 5.482 4.462 1.00 0.00 C ATOM 1274 CD GLU A 87 3.516 3.991 4.541 1.00 0.00 C ATOM 1275 OE1 GLU A 87 4.501 3.259 4.405 1.00 0.00 O ATOM 1276 OE2 GLU A 87 2.386 3.528 4.809 1.00 0.00 O ATOM 0 H GLU A 87 3.784 8.048 7.774 1.00 0.00 H new ATOM 0 HA GLU A 87 5.213 7.752 5.203 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.879 5.547 6.249 1.00 0.00 H new ATOM 0 HB3 GLU A 87 3.178 5.898 6.487 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.812 5.947 4.059 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.524 5.707 3.770 1.00 0.00 H new ATOM 1283 N VAL A 88 3.394 8.935 4.086 1.00 0.00 N ATOM 1284 CA VAL A 88 2.370 9.677 3.372 1.00 0.00 C ATOM 1285 C VAL A 88 2.225 9.049 2.008 1.00 0.00 C ATOM 1286 O VAL A 88 3.220 8.880 1.301 1.00 0.00 O ATOM 1287 CB VAL A 88 2.746 11.181 3.236 1.00 0.00 C ATOM 1288 CG1 VAL A 88 1.733 11.929 2.390 1.00 0.00 C ATOM 1289 CG2 VAL A 88 2.827 11.820 4.602 1.00 0.00 C ATOM 0 H VAL A 88 4.290 8.896 3.600 1.00 0.00 H new ATOM 0 HA VAL A 88 1.431 9.634 3.924 1.00 0.00 H new ATOM 0 HB VAL A 88 3.717 11.238 2.743 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.025 12.977 2.315 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.696 11.490 1.393 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.749 11.859 2.854 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.091 12.872 4.496 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.861 11.736 5.101 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.587 11.313 5.196 1.00 0.00 H new ATOM 1299 N CYS A 89 1.030 8.693 1.642 1.00 0.00 N ATOM 1300 CA CYS A 89 0.819 7.981 0.420 1.00 0.00 C ATOM 1301 C CYS A 89 -0.363 8.516 -0.370 1.00 0.00 C ATOM 1302 O CYS A 89 -1.325 9.010 0.194 1.00 0.00 O ATOM 1303 CB CYS A 89 0.626 6.511 0.742 1.00 0.00 C ATOM 1304 SG CYS A 89 -0.771 6.164 1.817 1.00 0.00 S ATOM 0 H CYS A 89 0.183 8.886 2.176 1.00 0.00 H new ATOM 0 HA CYS A 89 1.696 8.118 -0.213 1.00 0.00 H new ATOM 0 HB2 CYS A 89 0.497 5.961 -0.190 1.00 0.00 H new ATOM 0 HB3 CYS A 89 1.534 6.132 1.212 1.00 0.00 H new ATOM 0 HG CYS A 89 -0.595 5.016 2.401 1.00 0.00 H new ATOM 1310 N ILE A 90 -0.277 8.425 -1.668 1.00 0.00 N ATOM 1311 CA ILE A 90 -1.345 8.858 -2.536 1.00 0.00 C ATOM 1312 C ILE A 90 -2.071 7.647 -3.114 1.00 0.00 C ATOM 1313 O ILE A 90 -1.450 6.768 -3.738 1.00 0.00 O ATOM 1314 CB ILE A 90 -0.837 9.774 -3.702 1.00 0.00 C ATOM 1315 CG1 ILE A 90 -0.219 11.068 -3.144 1.00 0.00 C ATOM 1316 CG2 ILE A 90 -1.975 10.104 -4.681 1.00 0.00 C ATOM 1317 CD1 ILE A 90 0.317 12.017 -4.209 1.00 0.00 C ATOM 0 H ILE A 90 0.535 8.049 -2.158 1.00 0.00 H new ATOM 0 HA ILE A 90 -2.030 9.451 -1.930 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.068 9.227 -4.247 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -0.971 11.591 -2.554 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.593 10.806 -2.466 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.595 10.741 -5.480 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.367 9.181 -5.108 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.772 10.625 -4.150 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.735 12.903 -3.730 1.00 0.00 H new ATOM 0 HD12 ILE A 90 1.094 11.515 -4.785 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.494 12.313 -4.874 1.00 0.00 H new ATOM 1329 N GLN A 91 -3.351 7.590 -2.861 1.00 0.00 N ATOM 1330 CA GLN A 91 -4.231 6.597 -3.426 1.00 0.00 C ATOM 1331 C GLN A 91 -5.345 7.369 -4.085 1.00 0.00 C ATOM 1332 O GLN A 91 -5.712 8.426 -3.578 1.00 0.00 O ATOM 1333 CB GLN A 91 -4.792 5.649 -2.341 1.00 0.00 C ATOM 1334 CG GLN A 91 -5.779 4.605 -2.866 1.00 0.00 C ATOM 1335 CD GLN A 91 -5.144 3.651 -3.874 1.00 0.00 C ATOM 1336 OE1 GLN A 91 -5.108 3.923 -5.076 1.00 0.00 O ATOM 1337 NE2 GLN A 91 -4.695 2.518 -3.410 1.00 0.00 N ATOM 0 H GLN A 91 -3.824 8.248 -2.242 1.00 0.00 H new ATOM 0 HA GLN A 91 -3.700 5.962 -4.135 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -3.960 5.135 -1.859 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -5.286 6.246 -1.574 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -6.175 4.031 -2.028 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -6.624 5.112 -3.333 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -4.739 2.323 -2.410 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -4.300 1.827 -4.047 1.00 0.00 H new ATOM 1346 N ALA A 92 -5.855 6.880 -5.197 1.00 0.00 N ATOM 1347 CA ALA A 92 -6.899 7.574 -5.952 1.00 0.00 C ATOM 1348 C ALA A 92 -8.072 7.976 -5.051 1.00 0.00 C ATOM 1349 O ALA A 92 -8.814 7.125 -4.557 1.00 0.00 O ATOM 1350 CB ALA A 92 -7.381 6.702 -7.099 1.00 0.00 C ATOM 0 H ALA A 92 -5.564 5.993 -5.609 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.469 8.489 -6.358 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -8.158 7.228 -7.654 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.546 6.481 -7.764 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.786 5.771 -6.703 1.00 0.00 H new ATOM 1356 N GLY A 93 -8.170 9.268 -4.775 1.00 0.00 N ATOM 1357 CA GLY A 93 -9.240 9.765 -3.967 1.00 0.00 C ATOM 1358 C GLY A 93 -8.766 10.658 -2.833 1.00 0.00 C ATOM 1359 O GLY A 93 -9.372 11.706 -2.565 1.00 0.00 O ATOM 0 H GLY A 93 -7.516 9.979 -5.104 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.933 10.324 -4.596 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.794 8.924 -3.551 1.00 0.00 H new ATOM 1363 N HIS A 94 -7.677 10.277 -2.171 1.00 0.00 N ATOM 1364 CA HIS A 94 -7.176 11.014 -0.985 1.00 0.00 C ATOM 1365 C HIS A 94 -5.689 10.809 -0.811 1.00 0.00 C ATOM 1366 O HIS A 94 -5.104 9.917 -1.413 1.00 0.00 O ATOM 1367 CB HIS A 94 -7.879 10.549 0.324 1.00 0.00 C ATOM 1368 CG HIS A 94 -9.309 10.974 0.485 1.00 0.00 C ATOM 1369 ND1 HIS A 94 -10.377 10.206 0.099 1.00 0.00 N ATOM 1370 CD2 HIS A 94 -9.836 12.100 0.996 1.00 0.00 C ATOM 1371 CE1 HIS A 94 -11.493 10.846 0.355 1.00 0.00 C ATOM 1372 NE2 HIS A 94 -11.191 11.998 0.899 1.00 0.00 N ATOM 0 H HIS A 94 -7.116 9.464 -2.425 1.00 0.00 H new ATOM 0 HA HIS A 94 -7.396 12.067 -1.162 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -7.836 9.461 0.370 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -7.310 10.927 1.173 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -9.286 12.933 1.408 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -12.490 10.485 0.152 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -11.862 12.705 1.201 1.00 0.00 H new ATOM 1381 N ILE A 95 -5.087 11.618 0.014 1.00 0.00 N ATOM 1382 CA ILE A 95 -3.711 11.429 0.359 1.00 0.00 C ATOM 1383 C ILE A 95 -3.696 10.861 1.779 1.00 0.00 C ATOM 1384 O ILE A 95 -4.063 11.519 2.735 1.00 0.00 O ATOM 1385 CB ILE A 95 -2.869 12.743 0.188 1.00 0.00 C ATOM 1386 CG1 ILE A 95 -1.382 12.499 0.468 1.00 0.00 C ATOM 1387 CG2 ILE A 95 -3.410 13.889 1.037 1.00 0.00 C ATOM 1388 CD1 ILE A 95 -0.495 13.692 0.154 1.00 0.00 C ATOM 0 H ILE A 95 -5.533 12.419 0.461 1.00 0.00 H new ATOM 0 HA ILE A 95 -3.224 10.728 -0.319 1.00 0.00 H new ATOM 0 HB ILE A 95 -2.966 13.044 -0.855 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -1.258 12.233 1.518 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -1.047 11.644 -0.119 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -2.795 14.776 0.885 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -4.437 14.105 0.744 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -3.385 13.606 2.089 1.00 0.00 H new ATOM 0 HD11 ILE A 95 0.542 13.443 0.378 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.588 13.946 -0.902 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -0.803 14.544 0.761 1.00 0.00 H new ATOM 1400 N TRP A 96 -3.329 9.633 1.884 1.00 0.00 N ATOM 1401 CA TRP A 96 -3.486 8.890 3.105 1.00 0.00 C ATOM 1402 C TRP A 96 -2.212 8.896 3.900 1.00 0.00 C ATOM 1403 O TRP A 96 -1.112 8.829 3.334 1.00 0.00 O ATOM 1404 CB TRP A 96 -3.869 7.432 2.788 1.00 0.00 C ATOM 1405 CG TRP A 96 -5.083 7.281 1.913 1.00 0.00 C ATOM 1406 CD1 TRP A 96 -5.141 7.462 0.568 1.00 0.00 C ATOM 1407 CD2 TRP A 96 -6.394 6.894 2.317 1.00 0.00 C ATOM 1408 NE1 TRP A 96 -6.412 7.243 0.114 1.00 0.00 N ATOM 1409 CE2 TRP A 96 -7.199 6.889 1.163 1.00 0.00 C ATOM 1410 CE3 TRP A 96 -6.969 6.561 3.537 1.00 0.00 C ATOM 1411 CZ2 TRP A 96 -8.541 6.564 1.199 1.00 0.00 C ATOM 1412 CZ3 TRP A 96 -8.303 6.237 3.569 1.00 0.00 C ATOM 1413 CH2 TRP A 96 -9.078 6.242 2.407 1.00 0.00 C ATOM 0 H TRP A 96 -2.906 9.102 1.123 1.00 0.00 H new ATOM 0 HA TRP A 96 -4.275 9.364 3.690 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -3.024 6.945 2.302 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -4.045 6.904 3.725 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -4.303 7.739 -0.054 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -6.719 7.331 -0.855 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -6.379 6.557 4.442 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -9.142 6.565 0.302 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -8.762 5.973 4.511 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -10.125 5.985 2.469 1.00 0.00 H new ATOM 1424 N ILE A 97 -2.341 8.973 5.186 1.00 0.00 N ATOM 1425 CA ILE A 97 -1.201 8.875 6.047 1.00 0.00 C ATOM 1426 C ILE A 97 -1.140 7.468 6.606 1.00 0.00 C ATOM 1427 O ILE A 97 -2.173 6.897 7.006 1.00 0.00 O ATOM 1428 CB ILE A 97 -1.196 9.926 7.202 1.00 0.00 C ATOM 1429 CG1 ILE A 97 -2.439 9.780 8.101 1.00 0.00 C ATOM 1430 CG2 ILE A 97 -1.110 11.338 6.624 1.00 0.00 C ATOM 1431 CD1 ILE A 97 -2.410 10.639 9.352 1.00 0.00 C ATOM 0 H ILE A 97 -3.230 9.104 5.668 1.00 0.00 H new ATOM 0 HA ILE A 97 -0.316 9.095 5.450 1.00 0.00 H new ATOM 0 HB ILE A 97 -0.319 9.744 7.824 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -3.325 10.035 7.520 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.540 8.735 8.394 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -1.107 12.064 7.437 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -0.192 11.439 6.044 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -1.969 11.520 5.978 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -3.321 10.475 9.927 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -1.545 10.370 9.958 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -2.343 11.690 9.070 1.00 0.00 H new ATOM 1443 N GLY A 98 0.030 6.901 6.579 1.00 0.00 N ATOM 1444 CA GLY A 98 0.225 5.570 7.045 1.00 0.00 C ATOM 1445 C GLY A 98 0.836 5.571 8.400 1.00 0.00 C ATOM 1446 O GLY A 98 1.889 6.195 8.617 1.00 0.00 O ATOM 0 H GLY A 98 0.875 7.354 6.231 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.730 5.045 7.072 1.00 0.00 H new ATOM 0 HA3 GLY A 98 0.867 5.027 6.352 1.00 0.00 H new ATOM 1450 N TYR A 99 0.188 4.918 9.316 1.00 0.00 N ATOM 1451 CA TYR A 99 0.661 4.844 10.662 1.00 0.00 C ATOM 1452 C TYR A 99 0.229 3.541 11.285 1.00 0.00 C ATOM 1453 O TYR A 99 -0.580 2.790 10.707 1.00 0.00 O ATOM 1454 CB TYR A 99 0.150 6.042 11.492 1.00 0.00 C ATOM 1455 CG TYR A 99 -1.367 6.178 11.576 1.00 0.00 C ATOM 1456 CD1 TYR A 99 -2.085 6.812 10.569 1.00 0.00 C ATOM 1457 CD2 TYR A 99 -2.075 5.689 12.672 1.00 0.00 C ATOM 1458 CE1 TYR A 99 -3.452 6.954 10.646 1.00 0.00 C ATOM 1459 CE2 TYR A 99 -3.445 5.832 12.757 1.00 0.00 C ATOM 1460 CZ TYR A 99 -4.129 6.467 11.740 1.00 0.00 C ATOM 1461 OH TYR A 99 -5.497 6.617 11.823 1.00 0.00 O ATOM 0 H TYR A 99 -0.687 4.420 9.149 1.00 0.00 H new ATOM 0 HA TYR A 99 1.750 4.886 10.652 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.547 5.958 12.504 1.00 0.00 H new ATOM 0 HB3 TYR A 99 0.557 6.959 11.065 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -1.560 7.201 9.709 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -1.543 5.190 13.468 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -3.991 7.446 9.850 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -3.979 5.449 13.614 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.820 6.217 12.657 1.00 0.00 H new ATOM 1471 N ASN A 100 0.762 3.262 12.429 1.00 0.00 N ATOM 1472 CA ASN A 100 0.407 2.082 13.161 1.00 0.00 C ATOM 1473 C ASN A 100 -0.494 2.494 14.300 1.00 0.00 C ATOM 1474 O ASN A 100 -0.340 3.586 14.866 1.00 0.00 O ATOM 1475 CB ASN A 100 1.669 1.369 13.719 1.00 0.00 C ATOM 1476 CG ASN A 100 2.364 2.131 14.848 1.00 0.00 C ATOM 1477 OD1 ASN A 100 3.183 3.010 14.603 1.00 0.00 O ATOM 1478 ND2 ASN A 100 2.089 1.767 16.077 1.00 0.00 N ATOM 0 H ASN A 100 1.460 3.847 12.888 1.00 0.00 H new ATOM 0 HA ASN A 100 -0.102 1.382 12.498 1.00 0.00 H new ATOM 0 HB2 ASN A 100 1.385 0.381 14.082 1.00 0.00 H new ATOM 0 HB3 ASN A 100 2.378 1.218 12.905 1.00 0.00 H new ATOM 0 HD21 ASN A 100 2.561 2.218 16.860 1.00 0.00 H new ATOM 0 HD22 ASN A 100 1.403 1.032 16.250 1.00 0.00 H new ATOM 1485 N ALA A 101 -1.452 1.680 14.593 1.00 0.00 N ATOM 1486 CA ALA A 101 -2.290 1.898 15.739 1.00 0.00 C ATOM 1487 C ALA A 101 -1.700 1.100 16.872 1.00 0.00 C ATOM 1488 O ALA A 101 -0.955 0.156 16.616 1.00 0.00 O ATOM 1489 CB ALA A 101 -3.714 1.451 15.459 1.00 0.00 C ATOM 0 H ALA A 101 -1.681 0.846 14.052 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.331 2.958 15.989 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.330 1.626 16.341 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -4.115 2.018 14.618 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.721 0.388 15.216 1.00 0.00 H new ATOM 1495 N TYR A 102 -2.027 1.451 18.103 1.00 0.00 N ATOM 1496 CA TYR A 102 -1.502 0.764 19.305 1.00 0.00 C ATOM 1497 C TYR A 102 -1.733 -0.767 19.296 1.00 0.00 C ATOM 1498 O TYR A 102 -1.030 -1.508 19.971 1.00 0.00 O ATOM 1499 CB TYR A 102 -2.102 1.379 20.586 1.00 0.00 C ATOM 1500 CG TYR A 102 -3.610 1.245 20.718 1.00 0.00 C ATOM 1501 CD1 TYR A 102 -4.175 0.120 21.302 1.00 0.00 C ATOM 1502 CD2 TYR A 102 -4.463 2.244 20.264 1.00 0.00 C ATOM 1503 CE1 TYR A 102 -5.533 -0.011 21.427 1.00 0.00 C ATOM 1504 CE2 TYR A 102 -5.830 2.121 20.391 1.00 0.00 C ATOM 1505 CZ TYR A 102 -6.360 0.990 20.972 1.00 0.00 C ATOM 1506 OH TYR A 102 -7.730 0.862 21.114 1.00 0.00 O ATOM 0 H TYR A 102 -2.664 2.219 18.314 1.00 0.00 H new ATOM 0 HA TYR A 102 -0.423 0.916 19.289 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -1.634 0.909 21.451 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -1.842 2.437 20.619 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -3.532 -0.668 21.665 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -4.049 3.130 19.805 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -5.953 -0.897 21.881 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -6.481 2.906 20.037 1.00 0.00 H new ATOM 0 HH TYR A 102 -8.173 1.654 20.743 1.00 0.00 H new ATOM 1516 N ASN A 103 -2.703 -1.220 18.523 1.00 0.00 N ATOM 1517 CA ASN A 103 -3.049 -2.642 18.467 1.00 0.00 C ATOM 1518 C ASN A 103 -2.279 -3.349 17.325 1.00 0.00 C ATOM 1519 O ASN A 103 -2.505 -4.514 17.013 1.00 0.00 O ATOM 1520 CB ASN A 103 -4.592 -2.786 18.333 1.00 0.00 C ATOM 1521 CG ASN A 103 -5.113 -4.222 18.402 1.00 0.00 C ATOM 1522 OD1 ASN A 103 -5.322 -4.761 19.490 1.00 0.00 O ATOM 1523 ND2 ASN A 103 -5.412 -4.804 17.272 1.00 0.00 N ATOM 0 H ASN A 103 -3.272 -0.626 17.920 1.00 0.00 H new ATOM 0 HA ASN A 103 -2.746 -3.137 19.389 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -5.067 -2.204 19.123 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -4.902 -2.348 17.385 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -5.832 -5.733 17.273 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -5.225 -4.329 16.389 1.00 0.00 H new ATOM 1530 N GLY A 104 -1.357 -2.631 16.708 1.00 0.00 N ATOM 1531 CA GLY A 104 -0.543 -3.210 15.652 1.00 0.00 C ATOM 1532 C GLY A 104 -1.234 -3.194 14.309 1.00 0.00 C ATOM 1533 O GLY A 104 -0.805 -3.866 13.369 1.00 0.00 O ATOM 0 H GLY A 104 -1.154 -1.654 16.917 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.396 -2.661 15.580 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.292 -4.238 15.915 1.00 0.00 H new ATOM 1537 N ASN A 105 -2.308 -2.442 14.216 1.00 0.00 N ATOM 1538 CA ASN A 105 -3.054 -2.337 12.993 1.00 0.00 C ATOM 1539 C ASN A 105 -2.426 -1.314 12.105 1.00 0.00 C ATOM 1540 O ASN A 105 -1.965 -0.267 12.584 1.00 0.00 O ATOM 1541 CB ASN A 105 -4.501 -1.924 13.251 1.00 0.00 C ATOM 1542 CG ASN A 105 -5.326 -2.954 13.975 1.00 0.00 C ATOM 1543 OD1 ASN A 105 -5.384 -2.961 15.201 1.00 0.00 O ATOM 1544 ND2 ASN A 105 -5.980 -3.811 13.237 1.00 0.00 N ATOM 0 H ASN A 105 -2.684 -1.889 14.987 1.00 0.00 H new ATOM 0 HA ASN A 105 -3.045 -3.319 12.519 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -4.504 -1.001 13.832 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -4.977 -1.701 12.296 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -6.566 -4.520 13.677 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -5.904 -3.771 12.221 1.00 0.00 H new ATOM 1551 N ARG A 106 -2.401 -1.592 10.836 1.00 0.00 N ATOM 1552 CA ARG A 106 -1.885 -0.658 9.882 1.00 0.00 C ATOM 1553 C ARG A 106 -3.044 0.199 9.446 1.00 0.00 C ATOM 1554 O ARG A 106 -3.930 -0.263 8.727 1.00 0.00 O ATOM 1555 CB ARG A 106 -1.265 -1.378 8.676 1.00 0.00 C ATOM 1556 CG ARG A 106 -0.531 -0.450 7.722 1.00 0.00 C ATOM 1557 CD ARG A 106 0.630 0.204 8.438 1.00 0.00 C ATOM 1558 NE ARG A 106 1.378 1.149 7.616 1.00 0.00 N ATOM 1559 CZ ARG A 106 2.369 1.905 8.099 1.00 0.00 C ATOM 1560 NH1 ARG A 106 2.730 1.777 9.373 1.00 0.00 N ATOM 1561 NH2 ARG A 106 2.999 2.762 7.323 1.00 0.00 N ATOM 0 H ARG A 106 -2.736 -2.468 10.435 1.00 0.00 H new ATOM 0 HA ARG A 106 -1.093 -0.056 10.327 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -0.571 -2.138 9.035 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -2.052 -1.897 8.130 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -0.170 -1.011 6.860 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -1.213 0.312 7.344 1.00 0.00 H new ATOM 0 HD2 ARG A 106 0.254 0.723 9.319 1.00 0.00 H new ATOM 0 HD3 ARG A 106 1.309 -0.572 8.791 1.00 0.00 H new ATOM 0 HE ARG A 106 1.134 1.237 6.629 1.00 0.00 H new ATOM 0 HH11 ARG A 106 2.252 1.106 9.974 1.00 0.00 H new ATOM 0 HH12 ARG A 106 3.485 2.350 9.749 1.00 0.00 H new ATOM 0 HH21 ARG A 106 2.732 2.854 6.343 1.00 0.00 H new ATOM 0 HH22 ARG A 106 3.754 3.334 7.702 1.00 0.00 H new ATOM 1575 N VAL A 107 -3.078 1.407 9.896 1.00 0.00 N ATOM 1576 CA VAL A 107 -4.215 2.234 9.633 1.00 0.00 C ATOM 1577 C VAL A 107 -3.839 3.376 8.710 1.00 0.00 C ATOM 1578 O VAL A 107 -2.755 3.961 8.829 1.00 0.00 O ATOM 1579 CB VAL A 107 -4.841 2.781 10.951 1.00 0.00 C ATOM 1580 CG1 VAL A 107 -6.131 3.521 10.675 1.00 0.00 C ATOM 1581 CG2 VAL A 107 -5.094 1.657 11.945 1.00 0.00 C ATOM 0 H VAL A 107 -2.339 1.846 10.445 1.00 0.00 H new ATOM 0 HA VAL A 107 -4.966 1.617 9.140 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.125 3.478 11.386 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -6.546 3.892 11.612 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -5.933 4.361 10.009 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -6.845 2.845 10.205 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -5.531 2.068 12.855 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.781 0.932 11.508 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.152 1.165 12.185 1.00 0.00 H new ATOM 1591 N TYR A 108 -4.707 3.650 7.774 1.00 0.00 N ATOM 1592 CA TYR A 108 -4.544 4.740 6.862 1.00 0.00 C ATOM 1593 C TYR A 108 -5.667 5.739 7.043 1.00 0.00 C ATOM 1594 O TYR A 108 -6.852 5.369 7.036 1.00 0.00 O ATOM 1595 CB TYR A 108 -4.484 4.247 5.414 1.00 0.00 C ATOM 1596 CG TYR A 108 -3.167 3.609 5.035 1.00 0.00 C ATOM 1597 CD1 TYR A 108 -2.143 4.389 4.536 1.00 0.00 C ATOM 1598 CD2 TYR A 108 -2.946 2.241 5.164 1.00 0.00 C ATOM 1599 CE1 TYR A 108 -0.938 3.843 4.172 1.00 0.00 C ATOM 1600 CE2 TYR A 108 -1.729 1.685 4.800 1.00 0.00 C ATOM 1601 CZ TYR A 108 -0.729 2.503 4.302 1.00 0.00 C ATOM 1602 OH TYR A 108 0.489 1.968 3.924 1.00 0.00 O ATOM 0 H TYR A 108 -5.560 3.111 7.625 1.00 0.00 H new ATOM 0 HA TYR A 108 -3.596 5.232 7.081 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -5.285 3.525 5.253 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -4.674 5.088 4.747 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -2.294 5.453 4.430 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -3.730 1.607 5.551 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -0.155 4.476 3.782 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -1.563 0.623 4.904 1.00 0.00 H new ATOM 0 HH TYR A 108 1.168 2.675 3.913 1.00 0.00 H new ATOM 1612 N CYS A 109 -5.304 6.975 7.244 1.00 0.00 N ATOM 1613 CA CYS A 109 -6.271 8.035 7.408 1.00 0.00 C ATOM 1614 C CYS A 109 -6.236 8.917 6.170 1.00 0.00 C ATOM 1615 O CYS A 109 -5.153 9.309 5.731 1.00 0.00 O ATOM 1616 CB CYS A 109 -5.975 8.852 8.676 1.00 0.00 C ATOM 1617 SG CYS A 109 -7.168 10.169 9.024 1.00 0.00 S ATOM 0 H CYS A 109 -4.332 7.280 7.299 1.00 0.00 H new ATOM 0 HA CYS A 109 -7.268 7.610 7.524 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -5.944 8.174 9.529 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -4.983 9.294 8.583 1.00 0.00 H new ATOM 0 HG CYS A 109 -6.824 10.790 10.113 1.00 0.00 H new ATOM 1623 N PRO A 110 -7.414 9.215 5.574 1.00 0.00 N ATOM 1624 CA PRO A 110 -7.503 9.992 4.332 1.00 0.00 C ATOM 1625 C PRO A 110 -7.113 11.461 4.485 1.00 0.00 C ATOM 1626 O PRO A 110 -6.782 12.088 3.497 1.00 0.00 O ATOM 1627 CB PRO A 110 -8.970 9.858 3.917 1.00 0.00 C ATOM 1628 CG PRO A 110 -9.704 9.540 5.169 1.00 0.00 C ATOM 1629 CD PRO A 110 -8.746 8.787 6.052 1.00 0.00 C ATOM 0 HA PRO A 110 -6.798 9.614 3.591 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -9.338 10.781 3.469 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -9.098 9.070 3.175 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -10.047 10.451 5.659 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -10.589 8.940 4.957 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -8.892 9.035 7.103 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -8.878 7.709 5.957 1.00 0.00 H new ATOM 1637 N VAL A 111 -7.193 11.979 5.737 1.00 0.00 N ATOM 1638 CA VAL A 111 -6.812 13.372 6.180 1.00 0.00 C ATOM 1639 C VAL A 111 -7.361 14.573 5.352 1.00 0.00 C ATOM 1640 O VAL A 111 -7.984 15.491 5.912 1.00 0.00 O ATOM 1641 CB VAL A 111 -5.289 13.546 6.510 1.00 0.00 C ATOM 1642 CG1 VAL A 111 -4.895 12.634 7.642 1.00 0.00 C ATOM 1643 CG2 VAL A 111 -4.388 13.301 5.308 1.00 0.00 C ATOM 0 H VAL A 111 -7.541 11.419 6.515 1.00 0.00 H new ATOM 0 HA VAL A 111 -7.370 13.434 7.114 1.00 0.00 H new ATOM 0 HB VAL A 111 -5.149 14.586 6.805 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -3.835 12.764 7.862 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -5.482 12.878 8.527 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -5.082 11.599 7.357 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -3.347 13.437 5.600 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -4.534 12.283 4.946 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -4.638 14.007 4.516 1.00 0.00 H new ATOM 1653 N ARG A 112 -7.117 14.576 4.067 1.00 0.00 N ATOM 1654 CA ARG A 112 -7.567 15.610 3.178 1.00 0.00 C ATOM 1655 C ARG A 112 -7.780 15.035 1.794 1.00 0.00 C ATOM 1656 O ARG A 112 -7.056 14.121 1.358 1.00 0.00 O ATOM 1657 CB ARG A 112 -6.586 16.803 3.130 1.00 0.00 C ATOM 1658 CG ARG A 112 -5.167 16.460 2.735 1.00 0.00 C ATOM 1659 CD ARG A 112 -4.281 17.696 2.714 1.00 0.00 C ATOM 1660 NE ARG A 112 -2.867 17.346 2.523 1.00 0.00 N ATOM 1661 CZ ARG A 112 -1.897 18.181 2.130 1.00 0.00 C ATOM 1662 NH1 ARG A 112 -2.169 19.450 1.804 1.00 0.00 N ATOM 1663 NH2 ARG A 112 -0.657 17.736 2.066 1.00 0.00 N ATOM 0 H ARG A 112 -6.587 13.840 3.601 1.00 0.00 H new ATOM 0 HA ARG A 112 -8.513 15.994 3.560 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -6.972 17.541 2.427 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -6.568 17.276 4.112 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -4.759 15.731 3.435 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -5.165 15.993 1.750 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -4.603 18.361 1.913 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -4.398 18.244 3.649 1.00 0.00 H new ATOM 0 HE ARG A 112 -2.600 16.379 2.706 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -3.128 19.795 1.853 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -1.418 20.072 1.507 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -0.449 16.769 2.314 1.00 0.00 H new ATOM 0 HH22 ARG A 112 0.094 18.359 1.769 1.00 0.00 H new ATOM 1677 N THR A 113 -8.782 15.516 1.132 1.00 0.00 N ATOM 1678 CA THR A 113 -9.080 15.089 -0.197 1.00 0.00 C ATOM 1679 C THR A 113 -8.032 15.638 -1.162 1.00 0.00 C ATOM 1680 O THR A 113 -7.694 16.821 -1.113 1.00 0.00 O ATOM 1681 CB THR A 113 -10.508 15.526 -0.581 1.00 0.00 C ATOM 1682 OG1 THR A 113 -11.423 14.982 0.396 1.00 0.00 O ATOM 1683 CG2 THR A 113 -10.892 15.007 -1.959 1.00 0.00 C ATOM 0 H THR A 113 -9.421 16.221 1.500 1.00 0.00 H new ATOM 0 HA THR A 113 -9.044 14.001 -0.255 1.00 0.00 H new ATOM 0 HB THR A 113 -10.552 16.615 -0.602 1.00 0.00 H new ATOM 0 HG1 THR A 113 -12.339 15.249 0.171 1.00 0.00 H new ATOM 0 HG21 THR A 113 -11.904 15.332 -2.201 1.00 0.00 H new ATOM 0 HG22 THR A 113 -10.198 15.399 -2.702 1.00 0.00 H new ATOM 0 HG23 THR A 113 -10.850 13.918 -1.962 1.00 0.00 H new ATOM 1691 N CYS A 114 -7.457 14.761 -1.949 1.00 0.00 N ATOM 1692 CA CYS A 114 -6.465 15.112 -2.928 1.00 0.00 C ATOM 1693 C CYS A 114 -6.568 14.152 -4.076 1.00 0.00 C ATOM 1694 O CYS A 114 -6.820 12.964 -3.873 1.00 0.00 O ATOM 1695 CB CYS A 114 -5.039 15.076 -2.340 1.00 0.00 C ATOM 1696 SG CYS A 114 -4.731 16.307 -1.051 1.00 0.00 S ATOM 0 H CYS A 114 -7.672 13.764 -1.924 1.00 0.00 H new ATOM 0 HA CYS A 114 -6.651 16.133 -3.262 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -4.853 14.084 -1.929 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -4.322 15.226 -3.147 1.00 0.00 H new ATOM 0 HG CYS A 114 -5.846 16.899 -0.741 1.00 0.00 H new ATOM 1702 N GLN A 115 -6.420 14.656 -5.251 1.00 0.00 N ATOM 1703 CA GLN A 115 -6.470 13.852 -6.433 1.00 0.00 C ATOM 1704 C GLN A 115 -5.180 14.123 -7.169 1.00 0.00 C ATOM 1705 O GLN A 115 -4.588 15.172 -6.962 1.00 0.00 O ATOM 1706 CB GLN A 115 -7.668 14.281 -7.286 1.00 0.00 C ATOM 1707 CG GLN A 115 -8.062 13.278 -8.360 1.00 0.00 C ATOM 1708 CD GLN A 115 -8.547 11.956 -7.778 1.00 0.00 C ATOM 1709 OE1 GLN A 115 -9.125 11.906 -6.683 1.00 0.00 O ATOM 1710 NE2 GLN A 115 -8.299 10.886 -8.482 1.00 0.00 N ATOM 0 H GLN A 115 -6.259 15.648 -5.426 1.00 0.00 H new ATOM 0 HA GLN A 115 -6.581 12.792 -6.207 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -8.523 14.450 -6.632 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -7.438 15.234 -7.762 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -8.848 13.707 -8.982 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -7.207 13.093 -9.010 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -7.821 10.966 -9.380 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -8.583 9.970 -8.135 1.00 0.00 H new ATOM 1719 N GLY A 116 -4.711 13.215 -7.963 1.00 0.00 N ATOM 1720 CA GLY A 116 -3.501 13.486 -8.675 1.00 0.00 C ATOM 1721 C GLY A 116 -2.741 12.250 -8.983 1.00 0.00 C ATOM 1722 O GLY A 116 -3.260 11.132 -8.829 1.00 0.00 O ATOM 0 H GLY A 116 -5.133 12.302 -8.134 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -3.737 14.006 -9.604 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -2.877 14.156 -8.084 1.00 0.00 H new ATOM 1726 N VAL A 117 -1.530 12.440 -9.419 1.00 0.00 N ATOM 1727 CA VAL A 117 -0.620 11.379 -9.758 1.00 0.00 C ATOM 1728 C VAL A 117 0.734 11.801 -9.224 1.00 0.00 C ATOM 1729 O VAL A 117 1.207 12.887 -9.568 1.00 0.00 O ATOM 1730 CB VAL A 117 -0.510 11.150 -11.312 1.00 0.00 C ATOM 1731 CG1 VAL A 117 0.469 10.022 -11.630 1.00 0.00 C ATOM 1732 CG2 VAL A 117 -1.870 10.837 -11.928 1.00 0.00 C ATOM 0 H VAL A 117 -1.133 13.370 -9.554 1.00 0.00 H new ATOM 0 HA VAL A 117 -0.976 10.442 -9.329 1.00 0.00 H new ATOM 0 HB VAL A 117 -0.138 12.077 -11.747 1.00 0.00 H new ATOM 0 HG11 VAL A 117 0.527 9.884 -12.710 1.00 0.00 H new ATOM 0 HG12 VAL A 117 1.456 10.277 -11.243 1.00 0.00 H new ATOM 0 HG13 VAL A 117 0.124 9.099 -11.164 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -1.757 10.685 -13.001 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -2.276 9.933 -11.474 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -2.551 11.669 -11.749 1.00 0.00 H new ATOM 1742 N PRO A 118 1.345 10.993 -8.335 1.00 0.00 N ATOM 1743 CA PRO A 118 2.655 11.298 -7.737 1.00 0.00 C ATOM 1744 C PRO A 118 3.684 11.718 -8.794 1.00 0.00 C ATOM 1745 O PRO A 118 3.775 11.091 -9.858 1.00 0.00 O ATOM 1746 CB PRO A 118 3.064 9.979 -7.097 1.00 0.00 C ATOM 1747 CG PRO A 118 1.776 9.324 -6.761 1.00 0.00 C ATOM 1748 CD PRO A 118 0.810 9.712 -7.840 1.00 0.00 C ATOM 0 HA PRO A 118 2.603 12.130 -7.035 1.00 0.00 H new ATOM 0 HB2 PRO A 118 3.654 9.370 -7.782 1.00 0.00 H new ATOM 0 HB3 PRO A 118 3.673 10.140 -6.208 1.00 0.00 H new ATOM 0 HG2 PRO A 118 1.892 8.241 -6.714 1.00 0.00 H new ATOM 0 HG3 PRO A 118 1.418 9.649 -5.784 1.00 0.00 H new ATOM 0 HD2 PRO A 118 0.768 8.962 -8.630 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -0.202 9.823 -7.452 1.00 0.00 H new ATOM 1756 N PRO A 119 4.474 12.768 -8.530 1.00 0.00 N ATOM 1757 CA PRO A 119 4.479 13.504 -7.263 1.00 0.00 C ATOM 1758 C PRO A 119 3.587 14.769 -7.265 1.00 0.00 C ATOM 1759 O PRO A 119 3.813 15.693 -6.484 1.00 0.00 O ATOM 1760 CB PRO A 119 5.946 13.912 -7.164 1.00 0.00 C ATOM 1761 CG PRO A 119 6.400 14.104 -8.581 1.00 0.00 C ATOM 1762 CD PRO A 119 5.454 13.329 -9.467 1.00 0.00 C ATOM 0 HA PRO A 119 4.087 12.906 -6.440 1.00 0.00 H new ATOM 0 HB2 PRO A 119 6.061 14.829 -6.586 1.00 0.00 H new ATOM 0 HB3 PRO A 119 6.535 13.144 -6.663 1.00 0.00 H new ATOM 0 HG2 PRO A 119 6.395 15.161 -8.846 1.00 0.00 H new ATOM 0 HG3 PRO A 119 7.423 13.749 -8.708 1.00 0.00 H new ATOM 0 HD2 PRO A 119 4.978 13.975 -10.204 1.00 0.00 H new ATOM 0 HD3 PRO A 119 5.974 12.545 -10.018 1.00 0.00 H new ATOM 1770 N ASN A 120 2.578 14.805 -8.107 1.00 0.00 N ATOM 1771 CA ASN A 120 1.711 15.980 -8.193 1.00 0.00 C ATOM 1772 C ASN A 120 0.353 15.714 -7.551 1.00 0.00 C ATOM 1773 O ASN A 120 -0.472 14.970 -8.097 1.00 0.00 O ATOM 1774 CB ASN A 120 1.496 16.403 -9.646 1.00 0.00 C ATOM 1775 CG ASN A 120 0.664 17.674 -9.760 1.00 0.00 C ATOM 1776 OD1 ASN A 120 0.743 18.574 -8.909 1.00 0.00 O ATOM 1777 ND2 ASN A 120 -0.134 17.762 -10.785 1.00 0.00 N ATOM 0 H ASN A 120 2.331 14.045 -8.741 1.00 0.00 H new ATOM 0 HA ASN A 120 2.213 16.783 -7.653 1.00 0.00 H new ATOM 0 HB2 ASN A 120 2.463 16.560 -10.123 1.00 0.00 H new ATOM 0 HB3 ASN A 120 1.001 15.597 -10.187 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -0.718 18.589 -10.907 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -0.175 17.004 -11.466 1.00 0.00 H new ATOM 1784 N HIS A 121 0.130 16.277 -6.386 1.00 0.00 N ATOM 1785 CA HIS A 121 -1.157 16.135 -5.731 1.00 0.00 C ATOM 1786 C HIS A 121 -1.961 17.424 -5.866 1.00 0.00 C ATOM 1787 O HIS A 121 -1.409 18.515 -5.780 1.00 0.00 O ATOM 1788 CB HIS A 121 -1.028 15.708 -4.235 1.00 0.00 C ATOM 1789 CG HIS A 121 -0.417 16.729 -3.293 1.00 0.00 C ATOM 1790 ND1 HIS A 121 0.896 16.713 -2.915 1.00 0.00 N ATOM 1791 CD2 HIS A 121 -0.973 17.777 -2.639 1.00 0.00 C ATOM 1792 CE1 HIS A 121 1.124 17.700 -2.076 1.00 0.00 C ATOM 1793 NE2 HIS A 121 0.006 18.362 -1.893 1.00 0.00 N ATOM 0 H HIS A 121 0.814 16.834 -5.873 1.00 0.00 H new ATOM 0 HA HIS A 121 -1.690 15.329 -6.235 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -2.021 15.453 -3.865 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -0.428 14.799 -4.189 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -2.004 18.092 -2.698 1.00 0.00 H new ATOM 0 HE1 HIS A 121 2.074 17.928 -1.614 1.00 0.00 H new ATOM 0 HE2 HIS A 121 -0.111 19.178 -1.293 1.00 0.00 H new ATOM 1802 N ILE A 122 -3.227 17.300 -6.100 1.00 0.00 N ATOM 1803 CA ILE A 122 -4.115 18.437 -6.135 1.00 0.00 C ATOM 1804 C ILE A 122 -4.907 18.428 -4.824 1.00 0.00 C ATOM 1805 O ILE A 122 -5.748 17.549 -4.622 1.00 0.00 O ATOM 1806 CB ILE A 122 -5.101 18.357 -7.343 1.00 0.00 C ATOM 1807 CG1 ILE A 122 -4.347 18.171 -8.679 1.00 0.00 C ATOM 1808 CG2 ILE A 122 -5.985 19.595 -7.398 1.00 0.00 C ATOM 1809 CD1 ILE A 122 -3.361 19.274 -9.014 1.00 0.00 C ATOM 0 H ILE A 122 -3.686 16.406 -6.274 1.00 0.00 H new ATOM 0 HA ILE A 122 -3.537 19.354 -6.251 1.00 0.00 H new ATOM 0 HB ILE A 122 -5.734 17.482 -7.194 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -3.812 17.222 -8.648 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -5.077 18.099 -9.485 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -6.665 19.519 -8.247 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -6.562 19.671 -6.477 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -5.362 20.482 -7.510 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -2.881 19.056 -9.968 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -3.889 20.225 -9.082 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -2.603 19.334 -8.233 1.00 0.00 H new ATOM 1821 N PRO A 123 -4.611 19.353 -3.897 1.00 0.00 N ATOM 1822 CA PRO A 123 -5.241 19.377 -2.579 1.00 0.00 C ATOM 1823 C PRO A 123 -6.645 19.995 -2.570 1.00 0.00 C ATOM 1824 O PRO A 123 -6.968 20.885 -3.381 1.00 0.00 O ATOM 1825 CB PRO A 123 -4.275 20.222 -1.748 1.00 0.00 C ATOM 1826 CG PRO A 123 -3.661 21.168 -2.725 1.00 0.00 C ATOM 1827 CD PRO A 123 -3.639 20.459 -4.060 1.00 0.00 C ATOM 0 HA PRO A 123 -5.400 18.367 -2.200 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -4.798 20.756 -0.955 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -3.518 19.601 -1.269 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -4.239 22.090 -2.786 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -2.653 21.443 -2.416 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -3.928 21.127 -4.871 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -2.643 20.083 -4.296 1.00 0.00 H new ATOM 1835 N GLY A 124 -7.476 19.489 -1.694 1.00 0.00 N ATOM 1836 CA GLY A 124 -8.799 19.997 -1.517 1.00 0.00 C ATOM 1837 C GLY A 124 -9.106 20.232 -0.052 1.00 0.00 C ATOM 1838 O GLY A 124 -8.343 20.900 0.644 1.00 0.00 O ATOM 0 H GLY A 124 -7.245 18.707 -1.082 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -8.909 20.931 -2.068 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -9.520 19.294 -1.934 1.00 0.00 H new ATOM 1842 N VAL A 125 -10.170 19.637 0.421 1.00 0.00 N ATOM 1843 CA VAL A 125 -10.652 19.842 1.784 1.00 0.00 C ATOM 1844 C VAL A 125 -9.963 18.916 2.790 1.00 0.00 C ATOM 1845 O VAL A 125 -9.963 17.684 2.625 1.00 0.00 O ATOM 1846 CB VAL A 125 -12.199 19.647 1.857 1.00 0.00 C ATOM 1847 CG1 VAL A 125 -12.722 19.792 3.283 1.00 0.00 C ATOM 1848 CG2 VAL A 125 -12.893 20.646 0.953 1.00 0.00 C ATOM 0 H VAL A 125 -10.739 18.989 -0.124 1.00 0.00 H new ATOM 0 HA VAL A 125 -10.403 20.868 2.055 1.00 0.00 H new ATOM 0 HB VAL A 125 -12.418 18.634 1.521 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -13.803 19.649 3.291 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -12.253 19.043 3.921 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -12.485 20.788 3.658 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -13.972 20.501 1.011 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -12.645 21.658 1.271 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -12.562 20.498 -0.075 1.00 0.00 H new ATOM 1858 N ALA A 126 -9.321 19.526 3.772 1.00 0.00 N ATOM 1859 CA ALA A 126 -8.731 18.821 4.893 1.00 0.00 C ATOM 1860 C ALA A 126 -9.716 18.799 6.039 1.00 0.00 C ATOM 1861 O ALA A 126 -10.543 19.722 6.168 1.00 0.00 O ATOM 1862 CB ALA A 126 -7.446 19.492 5.336 1.00 0.00 C ATOM 0 H ALA A 126 -9.194 20.537 3.812 1.00 0.00 H new ATOM 0 HA ALA A 126 -8.496 17.802 4.584 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -7.022 18.945 6.178 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -6.734 19.496 4.510 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -7.657 20.518 5.638 1.00 0.00 H new ATOM 1868 N TRP A 127 -9.649 17.789 6.869 1.00 0.00 N ATOM 1869 CA TRP A 127 -10.555 17.703 8.000 1.00 0.00 C ATOM 1870 C TRP A 127 -9.845 17.946 9.331 1.00 0.00 C ATOM 1871 O TRP A 127 -10.459 17.870 10.403 1.00 0.00 O ATOM 1872 CB TRP A 127 -11.287 16.374 8.007 1.00 0.00 C ATOM 1873 CG TRP A 127 -12.098 16.150 6.773 1.00 0.00 C ATOM 1874 CD1 TRP A 127 -13.184 16.863 6.370 1.00 0.00 C ATOM 1875 CD2 TRP A 127 -11.897 15.133 5.790 1.00 0.00 C ATOM 1876 NE1 TRP A 127 -13.666 16.361 5.194 1.00 0.00 N ATOM 1877 CE2 TRP A 127 -12.895 15.296 4.815 1.00 0.00 C ATOM 1878 CE3 TRP A 127 -10.969 14.104 5.637 1.00 0.00 C ATOM 1879 CZ2 TRP A 127 -12.992 14.468 3.707 1.00 0.00 C ATOM 1880 CZ3 TRP A 127 -11.067 13.283 4.539 1.00 0.00 C ATOM 1881 CH2 TRP A 127 -12.071 13.472 3.588 1.00 0.00 C ATOM 0 H TRP A 127 -8.985 17.019 6.790 1.00 0.00 H new ATOM 0 HA TRP A 127 -11.290 18.500 7.883 1.00 0.00 H new ATOM 0 HB2 TRP A 127 -10.562 15.566 8.111 1.00 0.00 H new ATOM 0 HB3 TRP A 127 -11.941 16.330 8.878 1.00 0.00 H new ATOM 0 HD1 TRP A 127 -13.604 17.704 6.902 1.00 0.00 H new ATOM 0 HE1 TRP A 127 -14.471 16.722 4.681 1.00 0.00 H new ATOM 0 HE3 TRP A 127 -10.188 13.955 6.368 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 -13.767 14.607 2.968 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 -10.357 12.480 4.410 1.00 0.00 H new ATOM 0 HH2 TRP A 127 -12.119 12.811 2.735 1.00 0.00 H new ATOM 1892 N GLY A 128 -8.595 18.319 9.262 1.00 0.00 N ATOM 1893 CA GLY A 128 -7.833 18.533 10.450 1.00 0.00 C ATOM 1894 C GLY A 128 -6.628 19.372 10.177 1.00 0.00 C ATOM 1895 O GLY A 128 -6.466 19.876 9.066 1.00 0.00 O ATOM 0 H GLY A 128 -8.088 18.480 8.392 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -8.455 19.020 11.201 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -7.524 17.573 10.865 1.00 0.00 H new ATOM 1899 N VAL A 129 -5.776 19.489 11.156 1.00 0.00 N ATOM 1900 CA VAL A 129 -4.618 20.348 11.086 1.00 0.00 C ATOM 1901 C VAL A 129 -3.354 19.506 11.049 1.00 0.00 C ATOM 1902 O VAL A 129 -3.191 18.572 11.847 1.00 0.00 O ATOM 1903 CB VAL A 129 -4.551 21.283 12.326 1.00 0.00 C ATOM 1904 CG1 VAL A 129 -3.390 22.265 12.226 1.00 0.00 C ATOM 1905 CG2 VAL A 129 -5.860 22.022 12.525 1.00 0.00 C ATOM 0 H VAL A 129 -5.864 18.986 12.039 1.00 0.00 H new ATOM 0 HA VAL A 129 -4.698 20.951 10.181 1.00 0.00 H new ATOM 0 HB VAL A 129 -4.379 20.652 13.198 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -3.375 22.902 13.110 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -2.452 21.714 12.160 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -3.511 22.883 11.336 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -5.784 22.668 13.399 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -6.074 22.627 11.644 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -6.665 21.302 12.675 1.00 0.00 H new ATOM 1915 N PHE A 130 -2.480 19.816 10.135 1.00 0.00 N ATOM 1916 CA PHE A 130 -1.219 19.138 10.046 1.00 0.00 C ATOM 1917 C PHE A 130 -0.190 19.894 10.860 1.00 0.00 C ATOM 1918 O PHE A 130 -0.150 21.136 10.839 1.00 0.00 O ATOM 1919 CB PHE A 130 -0.756 19.010 8.590 1.00 0.00 C ATOM 1920 CG PHE A 130 -1.652 18.162 7.730 1.00 0.00 C ATOM 1921 CD1 PHE A 130 -2.793 18.693 7.149 1.00 0.00 C ATOM 1922 CD2 PHE A 130 -1.346 16.835 7.499 1.00 0.00 C ATOM 1923 CE1 PHE A 130 -3.608 17.918 6.358 1.00 0.00 C ATOM 1924 CE2 PHE A 130 -2.157 16.053 6.709 1.00 0.00 C ATOM 1925 CZ PHE A 130 -3.289 16.595 6.138 1.00 0.00 C ATOM 0 H PHE A 130 -2.620 20.543 9.433 1.00 0.00 H new ATOM 0 HA PHE A 130 -1.335 18.130 10.443 1.00 0.00 H new ATOM 0 HB2 PHE A 130 -0.689 20.006 8.153 1.00 0.00 H new ATOM 0 HB3 PHE A 130 0.249 18.587 8.576 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -3.045 19.729 7.320 1.00 0.00 H new ATOM 0 HD2 PHE A 130 -0.460 16.406 7.944 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -4.494 18.344 5.911 1.00 0.00 H new ATOM 0 HE2 PHE A 130 -1.907 15.017 6.536 1.00 0.00 H new ATOM 0 HZ PHE A 130 -3.926 15.982 5.518 1.00 0.00 H new ATOM 1935 N LYS A 131 0.600 19.172 11.577 1.00 0.00 N ATOM 1936 CA LYS A 131 1.631 19.717 12.399 1.00 0.00 C ATOM 1937 C LYS A 131 2.818 18.759 12.318 1.00 0.00 C ATOM 1938 O LYS A 131 3.496 18.726 11.287 1.00 0.00 O ATOM 1939 CB LYS A 131 1.112 19.850 13.856 1.00 0.00 C ATOM 1940 CG LYS A 131 2.075 20.527 14.834 1.00 0.00 C ATOM 1941 CD LYS A 131 1.506 20.596 16.257 1.00 0.00 C ATOM 1942 CE LYS A 131 1.279 19.211 16.862 1.00 0.00 C ATOM 1943 NZ LYS A 131 0.784 19.289 18.256 1.00 0.00 N ATOM 1944 OXT LYS A 131 3.061 18.015 13.252 1.00 0.00 O ATOM 0 H LYS A 131 0.547 18.154 11.610 1.00 0.00 H new ATOM 0 HA LYS A 131 1.932 20.710 12.066 1.00 0.00 H new ATOM 0 HB2 LYS A 131 0.179 20.413 13.842 1.00 0.00 H new ATOM 0 HB3 LYS A 131 0.878 18.855 14.233 1.00 0.00 H new ATOM 0 HG2 LYS A 131 3.018 19.981 14.848 1.00 0.00 H new ATOM 0 HG3 LYS A 131 2.296 21.535 14.484 1.00 0.00 H new ATOM 0 HD2 LYS A 131 2.190 21.159 16.892 1.00 0.00 H new ATOM 0 HD3 LYS A 131 0.563 21.142 16.242 1.00 0.00 H new ATOM 0 HE2 LYS A 131 0.561 18.662 16.252 1.00 0.00 H new ATOM 0 HE3 LYS A 131 2.212 18.648 16.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 0.643 18.328 18.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 1.480 19.790 18.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -0.120 19.804 18.275 1.00 0.00 H new