USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 880 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 592 HIS : no HD1:sc=-0.00234 X(o=-0.0023,f=0.21) USER MOD Set 1.2: A 640 TYR OH : rot 180:sc= 0 USER MOD Single : A 589 LYS NZ :NH3+ 170:sc=-0.000446 (180deg=-0.0964) USER MOD Single : A 594 HIS : no HE2:sc= -2.52! C(o=-2.5!,f=-4!) USER MOD Single : A 596 THR OG1 : rot 180:sc= -0.218 USER MOD Single : A 597 GLN : amide:sc= -0.0689 K(o=-0.069,f=-1.8) USER MOD Single : A 601 SER OG : rot 5:sc= -0.838 USER MOD Single : A 602 HIS : no HD1:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 605 HIS :FLIP no HE2:sc= 0.438 F(o=-1.5!,f=0.44) USER MOD Single : A 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 609 GLN : amide:sc= -0.853 K(o=-0.85,f=-2.4!) USER MOD Single : A 614 THR OG1 : rot 43:sc= 0.267 USER MOD Single : A 621 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 625 MET CE :methyl -173:sc= -0.676 (180deg=-0.749) USER MOD Single : A 627 ASN :FLIP amide:sc= -0.0483 F(o=-2!,f=-0.048) USER MOD Single : A 631 TYR OH : rot 180:sc= 0 USER MOD Single : A 633 LYS NZ :NH3+ 163:sc= -0.0807 (180deg=-0.441) USER MOD Single : A 634 LYS NZ :NH3+ 133:sc= -0.117 (180deg=-0.534) USER MOD Single : A 639 MET CE :methyl 157:sc= -2.26 (180deg=-3.87) USER MOD Single : A 642 SER OG : rot -39:sc= 1.12 USER MOD Single : A 644 ASN :FLIP amide:sc= -0.412 F(o=-1.8,f=-0.41) USER MOD Single : A 645 SER OG : rot -10:sc= 1.08 USER MOD Single : A 649 TYR OH : rot 30:sc= -1.63! USER MOD Single : A 650 TYR OH : rot 180:sc= -0.439 USER MOD Single : A 651 HIS : no HD1:sc= 0 X(o=0,f=-0.0094) USER MOD Single : A 656 LYS NZ :NH3+ -162:sc= 1.11 (180deg=0.158) USER MOD Single : A 658 TYR OH : rot 180:sc= 0 USER MOD Single : A 659 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 661 GLN : amide:sc= -1.02 K(o=-1,f=-3.7!) USER MOD Single : A 662 LYS NZ :NH3+ 159:sc= 1.31 (180deg=0.983) USER MOD Single : A 667 LYS NZ :NH3+ 167:sc= 3.16 (180deg=2.94) USER MOD Single : A 670 SER OG : rot 73:sc= 1.22 USER MOD Single : B 843 ASN :FLIP amide:sc= 0 F(o=-0.92,f=0) USER MOD Single : B 847 SER OG : rot -71:sc= 1.24 USER MOD Single : B 850 MET CE :methyl 148:sc= -1.72 (180deg=-3.97!) USER MOD Single : B 855 LYS NZ :NH3+ -142:sc= -1.11 (180deg=-3.07!) USER MOD Single : B 856 ASN : amide:sc= -0.0135 K(o=-0.014,f=-0.67) USER MOD Single : B 857 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 586 35.760 -5.658 -2.875 1.00 0.00 N ATOM 2 CA GLY A 586 34.912 -6.190 -1.834 1.00 0.00 C ATOM 3 C GLY A 586 33.842 -7.114 -2.370 1.00 0.00 C ATOM 4 O GLY A 586 34.141 -8.148 -2.967 1.00 0.00 O ATOM 0 HA2 GLY A 586 35.525 -6.730 -1.112 1.00 0.00 H new ATOM 0 HA3 GLY A 586 34.440 -5.366 -1.299 1.00 0.00 H new ATOM 8 N VAL A 587 32.591 -6.731 -2.174 1.00 0.00 N ATOM 9 CA VAL A 587 31.471 -7.572 -2.555 1.00 0.00 C ATOM 10 C VAL A 587 30.720 -6.985 -3.753 1.00 0.00 C ATOM 11 O VAL A 587 30.775 -5.779 -4.006 1.00 0.00 O ATOM 12 CB VAL A 587 30.495 -7.771 -1.374 1.00 0.00 C ATOM 13 CG1 VAL A 587 31.197 -8.458 -0.212 1.00 0.00 C ATOM 14 CG2 VAL A 587 29.900 -6.441 -0.933 1.00 0.00 C ATOM 0 H VAL A 587 32.326 -5.841 -1.752 1.00 0.00 H new ATOM 0 HA VAL A 587 31.879 -8.542 -2.839 1.00 0.00 H new ATOM 0 HB VAL A 587 29.679 -8.411 -1.710 1.00 0.00 H new ATOM 0 HG11 VAL A 587 30.494 -8.590 0.611 1.00 0.00 H new ATOM 0 HG12 VAL A 587 31.566 -9.432 -0.534 1.00 0.00 H new ATOM 0 HG13 VAL A 587 32.035 -7.845 0.121 1.00 0.00 H new ATOM 0 HG21 VAL A 587 29.216 -6.607 -0.101 1.00 0.00 H new ATOM 0 HG22 VAL A 587 30.700 -5.771 -0.618 1.00 0.00 H new ATOM 0 HG23 VAL A 587 29.357 -5.992 -1.765 1.00 0.00 H new ATOM 24 N ARG A 588 30.038 -7.849 -4.496 1.00 0.00 N ATOM 25 CA ARG A 588 29.252 -7.431 -5.653 1.00 0.00 C ATOM 26 C ARG A 588 27.764 -7.572 -5.351 1.00 0.00 C ATOM 27 O ARG A 588 26.910 -7.349 -6.210 1.00 0.00 O ATOM 28 CB ARG A 588 29.658 -8.250 -6.898 1.00 0.00 C ATOM 29 CG ARG A 588 29.426 -9.763 -6.801 1.00 0.00 C ATOM 30 CD ARG A 588 27.982 -10.148 -7.081 1.00 0.00 C ATOM 31 NE ARG A 588 27.752 -11.579 -6.891 1.00 0.00 N ATOM 32 CZ ARG A 588 26.675 -12.224 -7.334 1.00 0.00 C ATOM 33 NH1 ARG A 588 25.738 -11.572 -8.010 1.00 0.00 N ATOM 34 NH2 ARG A 588 26.542 -13.522 -7.106 1.00 0.00 N ATOM 0 H ARG A 588 30.013 -8.853 -4.316 1.00 0.00 H new ATOM 0 HA ARG A 588 29.454 -6.381 -5.866 1.00 0.00 H new ATOM 0 HB2 ARG A 588 29.105 -7.870 -7.757 1.00 0.00 H new ATOM 0 HB3 ARG A 588 30.715 -8.075 -7.097 1.00 0.00 H new ATOM 0 HG2 ARG A 588 30.079 -10.274 -7.509 1.00 0.00 H new ATOM 0 HG3 ARG A 588 29.704 -10.107 -5.805 1.00 0.00 H new ATOM 0 HD2 ARG A 588 27.322 -9.584 -6.422 1.00 0.00 H new ATOM 0 HD3 ARG A 588 27.724 -9.872 -8.103 1.00 0.00 H new ATOM 0 HE ARG A 588 28.459 -12.116 -6.389 1.00 0.00 H new ATOM 0 HH11 ARG A 588 25.842 -10.574 -8.192 1.00 0.00 H new ATOM 0 HH12 ARG A 588 24.914 -12.069 -8.348 1.00 0.00 H new ATOM 0 HH21 ARG A 588 27.264 -14.026 -6.592 1.00 0.00 H new ATOM 0 HH22 ARG A 588 25.717 -14.017 -7.445 1.00 0.00 H new ATOM 48 N LYS A 589 27.478 -7.966 -4.122 1.00 0.00 N ATOM 49 CA LYS A 589 26.110 -8.086 -3.638 1.00 0.00 C ATOM 50 C LYS A 589 25.812 -6.962 -2.648 1.00 0.00 C ATOM 51 O LYS A 589 26.580 -6.724 -1.712 1.00 0.00 O ATOM 52 CB LYS A 589 25.886 -9.475 -3.009 1.00 0.00 C ATOM 53 CG LYS A 589 24.713 -9.549 -2.044 1.00 0.00 C ATOM 54 CD LYS A 589 24.518 -10.964 -1.517 1.00 0.00 C ATOM 55 CE LYS A 589 25.659 -11.400 -0.609 1.00 0.00 C ATOM 56 NZ LYS A 589 25.674 -10.642 0.670 1.00 0.00 N ATOM 0 H LYS A 589 28.186 -8.212 -3.430 1.00 0.00 H new ATOM 0 HA LYS A 589 25.418 -7.990 -4.475 1.00 0.00 H new ATOM 0 HB2 LYS A 589 25.730 -10.200 -3.807 1.00 0.00 H new ATOM 0 HB3 LYS A 589 26.793 -9.772 -2.482 1.00 0.00 H new ATOM 0 HG2 LYS A 589 24.882 -8.868 -1.210 1.00 0.00 H new ATOM 0 HG3 LYS A 589 23.804 -9.218 -2.547 1.00 0.00 H new ATOM 0 HD2 LYS A 589 23.578 -11.020 -0.969 1.00 0.00 H new ATOM 0 HD3 LYS A 589 24.439 -11.655 -2.356 1.00 0.00 H new ATOM 0 HE2 LYS A 589 25.567 -12.465 -0.398 1.00 0.00 H new ATOM 0 HE3 LYS A 589 26.608 -11.258 -1.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 589 26.353 -11.080 1.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 589 25.955 -9.658 0.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 589 24.725 -10.658 1.094 1.00 0.00 H new ATOM 70 N GLY A 590 24.695 -6.276 -2.859 1.00 0.00 N ATOM 71 CA GLY A 590 24.367 -5.116 -2.068 1.00 0.00 C ATOM 72 C GLY A 590 23.040 -4.536 -2.498 1.00 0.00 C ATOM 73 O GLY A 590 22.979 -3.469 -3.094 1.00 0.00 O ATOM 0 H GLY A 590 24.006 -6.510 -3.574 1.00 0.00 H new ATOM 0 HA2 GLY A 590 24.326 -5.388 -1.013 1.00 0.00 H new ATOM 0 HA3 GLY A 590 25.149 -4.365 -2.173 1.00 0.00 H new ATOM 77 N TRP A 591 21.977 -5.260 -2.207 1.00 0.00 N ATOM 78 CA TRP A 591 20.649 -4.928 -2.694 1.00 0.00 C ATOM 79 C TRP A 591 20.219 -3.536 -2.274 1.00 0.00 C ATOM 80 O TRP A 591 19.615 -2.802 -3.057 1.00 0.00 O ATOM 81 CB TRP A 591 19.671 -5.986 -2.199 1.00 0.00 C ATOM 82 CG TRP A 591 20.145 -7.341 -2.587 1.00 0.00 C ATOM 83 CD1 TRP A 591 20.473 -7.732 -3.841 1.00 0.00 C ATOM 84 CD2 TRP A 591 20.381 -8.467 -1.737 1.00 0.00 C ATOM 85 NE1 TRP A 591 20.911 -9.021 -3.836 1.00 0.00 N ATOM 86 CE2 TRP A 591 20.854 -9.508 -2.558 1.00 0.00 C ATOM 87 CE3 TRP A 591 20.241 -8.702 -0.368 1.00 0.00 C ATOM 88 CZ2 TRP A 591 21.186 -10.762 -2.054 1.00 0.00 C ATOM 89 CZ3 TRP A 591 20.569 -9.950 0.128 1.00 0.00 C ATOM 90 CH2 TRP A 591 21.037 -10.964 -0.712 1.00 0.00 C ATOM 0 H TRP A 591 22.008 -6.097 -1.625 1.00 0.00 H new ATOM 0 HA TRP A 591 20.662 -4.922 -3.784 1.00 0.00 H new ATOM 0 HB2 TRP A 591 19.573 -5.923 -1.115 1.00 0.00 H new ATOM 0 HB3 TRP A 591 18.682 -5.804 -2.620 1.00 0.00 H new ATOM 0 HD1 TRP A 591 20.398 -7.110 -4.720 1.00 0.00 H new ATOM 0 HE1 TRP A 591 21.230 -9.541 -4.654 1.00 0.00 H new ATOM 0 HE3 TRP A 591 19.884 -7.924 0.291 1.00 0.00 H new ATOM 0 HZ2 TRP A 591 21.548 -11.547 -2.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 591 20.462 -10.145 1.185 1.00 0.00 H new ATOM 0 HH2 TRP A 591 21.286 -11.927 -0.291 1.00 0.00 H new ATOM 101 N HIS A 592 20.547 -3.168 -1.048 1.00 0.00 N ATOM 102 CA HIS A 592 20.163 -1.860 -0.519 1.00 0.00 C ATOM 103 C HIS A 592 20.851 -0.698 -1.243 1.00 0.00 C ATOM 104 O HIS A 592 20.358 0.430 -1.199 1.00 0.00 O ATOM 105 CB HIS A 592 20.426 -1.765 0.995 1.00 0.00 C ATOM 106 CG HIS A 592 19.484 -2.579 1.822 1.00 0.00 C ATOM 107 ND1 HIS A 592 19.905 -3.504 2.756 1.00 0.00 N ATOM 108 CD2 HIS A 592 18.133 -2.591 1.866 1.00 0.00 C ATOM 109 CE1 HIS A 592 18.853 -4.048 3.335 1.00 0.00 C ATOM 110 NE2 HIS A 592 17.768 -3.511 2.816 1.00 0.00 N ATOM 0 H HIS A 592 21.076 -3.750 -0.398 1.00 0.00 H new ATOM 0 HA HIS A 592 19.092 -1.770 -0.700 1.00 0.00 H new ATOM 0 HB2 HIS A 592 21.447 -2.089 1.198 1.00 0.00 H new ATOM 0 HB3 HIS A 592 20.356 -0.721 1.302 1.00 0.00 H new ATOM 0 HD2 HIS A 592 17.466 -1.989 1.266 1.00 0.00 H new ATOM 0 HE1 HIS A 592 18.877 -4.806 4.104 1.00 0.00 H new ATOM 0 HE2 HIS A 592 16.810 -3.742 3.078 1.00 0.00 H new ATOM 119 N GLU A 593 21.963 -0.960 -1.932 1.00 0.00 N ATOM 120 CA GLU A 593 22.697 0.124 -2.588 1.00 0.00 C ATOM 121 C GLU A 593 22.028 0.534 -3.903 1.00 0.00 C ATOM 122 O GLU A 593 22.203 1.658 -4.373 1.00 0.00 O ATOM 123 CB GLU A 593 24.162 -0.254 -2.840 1.00 0.00 C ATOM 124 CG GLU A 593 24.376 -1.153 -4.047 1.00 0.00 C ATOM 125 CD GLU A 593 25.838 -1.336 -4.386 1.00 0.00 C ATOM 126 OE1 GLU A 593 26.535 -2.087 -3.669 1.00 0.00 O ATOM 127 OE2 GLU A 593 26.295 -0.736 -5.380 1.00 0.00 O ATOM 0 H GLU A 593 22.368 -1.889 -2.049 1.00 0.00 H new ATOM 0 HA GLU A 593 22.677 0.975 -1.907 1.00 0.00 H new ATOM 0 HB2 GLU A 593 24.743 0.659 -2.973 1.00 0.00 H new ATOM 0 HB3 GLU A 593 24.554 -0.755 -1.954 1.00 0.00 H new ATOM 0 HG2 GLU A 593 23.927 -2.127 -3.853 1.00 0.00 H new ATOM 0 HG3 GLU A 593 23.858 -0.729 -4.907 1.00 0.00 H new ATOM 134 N HIS A 594 21.241 -0.367 -4.482 1.00 0.00 N ATOM 135 CA HIS A 594 20.592 -0.083 -5.761 1.00 0.00 C ATOM 136 C HIS A 594 19.077 -0.031 -5.632 1.00 0.00 C ATOM 137 O HIS A 594 18.349 -0.541 -6.485 1.00 0.00 O ATOM 138 CB HIS A 594 21.008 -1.070 -6.865 1.00 0.00 C ATOM 139 CG HIS A 594 20.826 -2.523 -6.543 1.00 0.00 C ATOM 140 ND1 HIS A 594 19.730 -3.249 -6.951 1.00 0.00 N ATOM 141 CD2 HIS A 594 21.628 -3.394 -5.891 1.00 0.00 C ATOM 142 CE1 HIS A 594 19.864 -4.501 -6.559 1.00 0.00 C ATOM 143 NE2 HIS A 594 21.009 -4.619 -5.915 1.00 0.00 N ATOM 0 H HIS A 594 21.038 -1.288 -4.094 1.00 0.00 H new ATOM 0 HA HIS A 594 20.939 0.906 -6.059 1.00 0.00 H new ATOM 0 HB2 HIS A 594 20.436 -0.842 -7.764 1.00 0.00 H new ATOM 0 HB3 HIS A 594 22.058 -0.899 -7.103 1.00 0.00 H new ATOM 0 HD1 HIS A 594 18.938 -2.877 -7.475 1.00 0.00 H new ATOM 0 HD2 HIS A 594 22.581 -3.168 -5.435 1.00 0.00 H new ATOM 0 HE1 HIS A 594 19.155 -5.296 -6.736 1.00 0.00 H new ATOM 152 N VAL A 595 18.604 0.570 -4.553 1.00 0.00 N ATOM 153 CA VAL A 595 17.199 0.920 -4.437 1.00 0.00 C ATOM 154 C VAL A 595 17.078 2.374 -4.015 1.00 0.00 C ATOM 155 O VAL A 595 17.703 2.804 -3.043 1.00 0.00 O ATOM 156 CB VAL A 595 16.469 0.018 -3.416 1.00 0.00 C ATOM 157 CG1 VAL A 595 15.084 0.566 -3.075 1.00 0.00 C ATOM 158 CG2 VAL A 595 16.362 -1.405 -3.940 1.00 0.00 C ATOM 0 H VAL A 595 19.172 0.825 -3.745 1.00 0.00 H new ATOM 0 HA VAL A 595 16.729 0.770 -5.409 1.00 0.00 H new ATOM 0 HB VAL A 595 17.060 0.011 -2.500 1.00 0.00 H new ATOM 0 HG11 VAL A 595 14.599 -0.093 -2.355 1.00 0.00 H new ATOM 0 HG12 VAL A 595 15.183 1.563 -2.646 1.00 0.00 H new ATOM 0 HG13 VAL A 595 14.481 0.619 -3.981 1.00 0.00 H new ATOM 0 HG21 VAL A 595 15.845 -2.025 -3.207 1.00 0.00 H new ATOM 0 HG22 VAL A 595 15.803 -1.407 -4.876 1.00 0.00 H new ATOM 0 HG23 VAL A 595 17.361 -1.805 -4.113 1.00 0.00 H new ATOM 168 N THR A 596 16.276 3.118 -4.747 1.00 0.00 N ATOM 169 CA THR A 596 16.070 4.524 -4.469 1.00 0.00 C ATOM 170 C THR A 596 14.809 4.753 -3.636 1.00 0.00 C ATOM 171 O THR A 596 13.948 3.873 -3.541 1.00 0.00 O ATOM 172 CB THR A 596 16.008 5.332 -5.786 1.00 0.00 C ATOM 173 OG1 THR A 596 15.618 6.689 -5.541 1.00 0.00 O ATOM 174 CG2 THR A 596 15.049 4.686 -6.772 1.00 0.00 C ATOM 0 H THR A 596 15.751 2.768 -5.548 1.00 0.00 H new ATOM 0 HA THR A 596 16.919 4.875 -3.883 1.00 0.00 H new ATOM 0 HB THR A 596 17.008 5.333 -6.219 1.00 0.00 H new ATOM 0 HG1 THR A 596 15.588 7.179 -6.389 1.00 0.00 H new ATOM 0 HG21 THR A 596 15.022 5.272 -7.691 1.00 0.00 H new ATOM 0 HG22 THR A 596 15.386 3.674 -6.997 1.00 0.00 H new ATOM 0 HG23 THR A 596 14.050 4.648 -6.337 1.00 0.00 H new ATOM 182 N GLN A 597 14.705 5.936 -3.044 1.00 0.00 N ATOM 183 CA GLN A 597 13.541 6.314 -2.256 1.00 0.00 C ATOM 184 C GLN A 597 12.301 6.344 -3.144 1.00 0.00 C ATOM 185 O GLN A 597 11.217 5.917 -2.741 1.00 0.00 O ATOM 186 CB GLN A 597 13.764 7.689 -1.621 1.00 0.00 C ATOM 187 CG GLN A 597 12.649 8.124 -0.688 1.00 0.00 C ATOM 188 CD GLN A 597 12.536 7.238 0.535 1.00 0.00 C ATOM 189 OE1 GLN A 597 13.530 6.686 1.013 1.00 0.00 O ATOM 190 NE2 GLN A 597 11.327 7.095 1.052 1.00 0.00 N ATOM 0 H GLN A 597 15.424 6.658 -3.097 1.00 0.00 H new ATOM 0 HA GLN A 597 13.393 5.579 -1.465 1.00 0.00 H new ATOM 0 HB2 GLN A 597 14.703 7.675 -1.067 1.00 0.00 H new ATOM 0 HB3 GLN A 597 13.872 8.431 -2.413 1.00 0.00 H new ATOM 0 HG2 GLN A 597 12.824 9.152 -0.372 1.00 0.00 H new ATOM 0 HG3 GLN A 597 11.703 8.114 -1.229 1.00 0.00 H new ATOM 0 HE21 GLN A 597 10.531 7.569 0.626 1.00 0.00 H new ATOM 0 HE22 GLN A 597 11.191 6.511 1.877 1.00 0.00 H new ATOM 199 N ASP A 598 12.488 6.845 -4.362 1.00 0.00 N ATOM 200 CA ASP A 598 11.402 6.964 -5.331 1.00 0.00 C ATOM 201 C ASP A 598 10.772 5.604 -5.609 1.00 0.00 C ATOM 202 O ASP A 598 9.557 5.502 -5.764 1.00 0.00 O ATOM 203 CB ASP A 598 11.888 7.602 -6.635 1.00 0.00 C ATOM 204 CG ASP A 598 10.779 7.742 -7.660 1.00 0.00 C ATOM 205 OD1 ASP A 598 9.957 8.676 -7.527 1.00 0.00 O ATOM 206 OD2 ASP A 598 10.722 6.927 -8.604 1.00 0.00 O ATOM 0 H ASP A 598 13.390 7.178 -4.704 1.00 0.00 H new ATOM 0 HA ASP A 598 10.644 7.616 -4.897 1.00 0.00 H new ATOM 0 HB2 ASP A 598 12.307 8.585 -6.421 1.00 0.00 H new ATOM 0 HB3 ASP A 598 12.692 6.997 -7.054 1.00 0.00 H new ATOM 211 N LEU A 599 11.603 4.565 -5.681 1.00 0.00 N ATOM 212 CA LEU A 599 11.117 3.209 -5.894 1.00 0.00 C ATOM 213 C LEU A 599 10.090 2.838 -4.830 1.00 0.00 C ATOM 214 O LEU A 599 8.994 2.378 -5.145 1.00 0.00 O ATOM 215 CB LEU A 599 12.289 2.212 -5.870 1.00 0.00 C ATOM 216 CG LEU A 599 11.972 0.842 -6.462 1.00 0.00 C ATOM 217 CD1 LEU A 599 11.677 0.979 -7.941 1.00 0.00 C ATOM 218 CD2 LEU A 599 13.122 -0.126 -6.230 1.00 0.00 C ATOM 0 H LEU A 599 12.617 4.640 -5.594 1.00 0.00 H new ATOM 0 HA LEU A 599 10.637 3.163 -6.872 1.00 0.00 H new ATOM 0 HB2 LEU A 599 13.127 2.644 -6.417 1.00 0.00 H new ATOM 0 HB3 LEU A 599 12.615 2.080 -4.838 1.00 0.00 H new ATOM 0 HG LEU A 599 11.091 0.439 -5.962 1.00 0.00 H new ATOM 0 HD11 LEU A 599 11.451 -0.002 -8.359 1.00 0.00 H new ATOM 0 HD12 LEU A 599 10.821 1.639 -8.082 1.00 0.00 H new ATOM 0 HD13 LEU A 599 12.546 1.398 -8.448 1.00 0.00 H new ATOM 0 HD21 LEU A 599 12.874 -1.096 -6.661 1.00 0.00 H new ATOM 0 HD22 LEU A 599 14.024 0.261 -6.704 1.00 0.00 H new ATOM 0 HD23 LEU A 599 13.293 -0.237 -5.159 1.00 0.00 H new ATOM 230 N ARG A 600 10.443 3.068 -3.572 1.00 0.00 N ATOM 231 CA ARG A 600 9.551 2.766 -2.462 1.00 0.00 C ATOM 232 C ARG A 600 8.295 3.632 -2.487 1.00 0.00 C ATOM 233 O ARG A 600 7.184 3.121 -2.353 1.00 0.00 O ATOM 234 CB ARG A 600 10.274 2.912 -1.122 1.00 0.00 C ATOM 235 CG ARG A 600 11.247 1.779 -0.847 1.00 0.00 C ATOM 236 CD ARG A 600 11.668 1.739 0.611 1.00 0.00 C ATOM 237 NE ARG A 600 12.757 2.667 0.912 1.00 0.00 N ATOM 238 CZ ARG A 600 12.881 3.317 2.069 1.00 0.00 C ATOM 239 NH1 ARG A 600 11.884 3.322 2.944 1.00 0.00 N ATOM 240 NH2 ARG A 600 13.984 4.005 2.325 1.00 0.00 N ATOM 0 H ARG A 600 11.342 3.463 -3.295 1.00 0.00 H new ATOM 0 HA ARG A 600 9.238 1.728 -2.578 1.00 0.00 H new ATOM 0 HB2 ARG A 600 10.814 3.859 -1.108 1.00 0.00 H new ATOM 0 HB3 ARG A 600 9.537 2.953 -0.320 1.00 0.00 H new ATOM 0 HG2 ARG A 600 10.785 0.830 -1.118 1.00 0.00 H new ATOM 0 HG3 ARG A 600 12.129 1.896 -1.477 1.00 0.00 H new ATOM 0 HD2 ARG A 600 10.810 1.977 1.239 1.00 0.00 H new ATOM 0 HD3 ARG A 600 11.979 0.726 0.867 1.00 0.00 H new ATOM 0 HE ARG A 600 13.464 2.826 0.194 1.00 0.00 H new ATOM 0 HH11 ARG A 600 11.018 2.827 2.733 1.00 0.00 H new ATOM 0 HH12 ARG A 600 11.984 3.821 3.828 1.00 0.00 H new ATOM 0 HH21 ARG A 600 14.737 4.037 1.637 1.00 0.00 H new ATOM 0 HH22 ARG A 600 14.081 4.503 3.210 1.00 0.00 H new ATOM 254 N SER A 601 8.465 4.936 -2.679 1.00 0.00 N ATOM 255 CA SER A 601 7.338 5.859 -2.646 1.00 0.00 C ATOM 256 C SER A 601 6.364 5.585 -3.794 1.00 0.00 C ATOM 257 O SER A 601 5.146 5.651 -3.610 1.00 0.00 O ATOM 258 CB SER A 601 7.832 7.307 -2.676 1.00 0.00 C ATOM 259 OG SER A 601 8.757 7.510 -3.729 1.00 0.00 O ATOM 0 H SER A 601 9.368 5.375 -2.858 1.00 0.00 H new ATOM 0 HA SER A 601 6.797 5.702 -1.713 1.00 0.00 H new ATOM 0 HB2 SER A 601 6.984 7.981 -2.798 1.00 0.00 H new ATOM 0 HB3 SER A 601 8.301 7.554 -1.724 1.00 0.00 H new ATOM 0 HG SER A 601 8.828 6.692 -4.264 1.00 0.00 H new ATOM 265 N HIS A 602 6.903 5.276 -4.975 1.00 0.00 N ATOM 266 CA HIS A 602 6.071 4.945 -6.137 1.00 0.00 C ATOM 267 C HIS A 602 5.129 3.793 -5.801 1.00 0.00 C ATOM 268 O HIS A 602 3.941 3.825 -6.127 1.00 0.00 O ATOM 269 CB HIS A 602 6.930 4.564 -7.352 1.00 0.00 C ATOM 270 CG HIS A 602 6.146 4.441 -8.623 1.00 0.00 C ATOM 271 ND1 HIS A 602 6.150 3.305 -9.399 1.00 0.00 N ATOM 272 CD2 HIS A 602 5.342 5.323 -9.260 1.00 0.00 C ATOM 273 CE1 HIS A 602 5.384 3.492 -10.455 1.00 0.00 C ATOM 274 NE2 HIS A 602 4.880 4.710 -10.397 1.00 0.00 N ATOM 0 H HIS A 602 7.907 5.248 -5.153 1.00 0.00 H new ATOM 0 HA HIS A 602 5.490 5.832 -6.390 1.00 0.00 H new ATOM 0 HB2 HIS A 602 7.709 5.315 -7.486 1.00 0.00 H new ATOM 0 HB3 HIS A 602 7.431 3.617 -7.150 1.00 0.00 H new ATOM 0 HD2 HIS A 602 5.107 6.325 -8.934 1.00 0.00 H new ATOM 0 HE1 HIS A 602 5.200 2.770 -11.236 1.00 0.00 H new ATOM 0 HE2 HIS A 602 4.251 5.127 -11.084 1.00 0.00 H new ATOM 283 N LEU A 603 5.679 2.789 -5.135 1.00 0.00 N ATOM 284 CA LEU A 603 4.920 1.623 -4.704 1.00 0.00 C ATOM 285 C LEU A 603 3.850 2.008 -3.686 1.00 0.00 C ATOM 286 O LEU A 603 2.752 1.449 -3.688 1.00 0.00 O ATOM 287 CB LEU A 603 5.865 0.561 -4.143 1.00 0.00 C ATOM 288 CG LEU A 603 6.915 0.065 -5.143 1.00 0.00 C ATOM 289 CD1 LEU A 603 8.013 -0.713 -4.441 1.00 0.00 C ATOM 290 CD2 LEU A 603 6.262 -0.791 -6.218 1.00 0.00 C ATOM 0 H LEU A 603 6.665 2.759 -4.877 1.00 0.00 H new ATOM 0 HA LEU A 603 4.406 1.204 -5.569 1.00 0.00 H new ATOM 0 HB2 LEU A 603 6.375 0.969 -3.270 1.00 0.00 H new ATOM 0 HB3 LEU A 603 5.276 -0.289 -3.800 1.00 0.00 H new ATOM 0 HG LEU A 603 7.368 0.936 -5.616 1.00 0.00 H new ATOM 0 HD11 LEU A 603 8.744 -1.053 -5.175 1.00 0.00 H new ATOM 0 HD12 LEU A 603 8.504 -0.070 -3.710 1.00 0.00 H new ATOM 0 HD13 LEU A 603 7.581 -1.575 -3.933 1.00 0.00 H new ATOM 0 HD21 LEU A 603 7.021 -1.135 -6.920 1.00 0.00 H new ATOM 0 HD22 LEU A 603 5.779 -1.652 -5.755 1.00 0.00 H new ATOM 0 HD23 LEU A 603 5.517 -0.200 -6.751 1.00 0.00 H new ATOM 302 N VAL A 604 4.172 2.967 -2.823 1.00 0.00 N ATOM 303 CA VAL A 604 3.235 3.427 -1.802 1.00 0.00 C ATOM 304 C VAL A 604 1.973 3.984 -2.455 1.00 0.00 C ATOM 305 O VAL A 604 0.856 3.686 -2.031 1.00 0.00 O ATOM 306 CB VAL A 604 3.861 4.517 -0.901 1.00 0.00 C ATOM 307 CG1 VAL A 604 2.817 5.126 0.023 1.00 0.00 C ATOM 308 CG2 VAL A 604 5.010 3.945 -0.090 1.00 0.00 C ATOM 0 H VAL A 604 5.075 3.441 -2.810 1.00 0.00 H new ATOM 0 HA VAL A 604 2.985 2.567 -1.181 1.00 0.00 H new ATOM 0 HB VAL A 604 4.248 5.305 -1.547 1.00 0.00 H new ATOM 0 HG11 VAL A 604 3.283 5.889 0.646 1.00 0.00 H new ATOM 0 HG12 VAL A 604 2.024 5.578 -0.572 1.00 0.00 H new ATOM 0 HG13 VAL A 604 2.395 4.347 0.658 1.00 0.00 H new ATOM 0 HG21 VAL A 604 5.437 4.727 0.537 1.00 0.00 H new ATOM 0 HG22 VAL A 604 4.643 3.135 0.540 1.00 0.00 H new ATOM 0 HG23 VAL A 604 5.776 3.562 -0.764 1.00 0.00 H new ATOM 318 N HIS A 605 2.164 4.777 -3.506 1.00 0.00 N ATOM 319 CA HIS A 605 1.039 5.359 -4.241 1.00 0.00 C ATOM 320 C HIS A 605 0.183 4.266 -4.858 1.00 0.00 C ATOM 321 O HIS A 605 -1.039 4.373 -4.882 1.00 0.00 O ATOM 322 CB HIS A 605 1.504 6.334 -5.329 1.00 0.00 C ATOM 323 CG HIS A 605 2.069 7.614 -4.795 1.00 0.00 C ATOM 324 ND1 HIS A 605 3.300 7.915 -4.317 1.00 0.00 N flip ATOM 325 CD2 HIS A 605 1.337 8.778 -4.709 1.00 0.00 C flip ATOM 326 CE1 HIS A 605 3.287 9.238 -3.957 1.00 0.00 C flip ATOM 327 NE2 HIS A 605 2.091 9.735 -4.204 1.00 0.00 N flip ATOM 0 H HIS A 605 3.083 5.032 -3.869 1.00 0.00 H new ATOM 0 HA HIS A 605 0.444 5.922 -3.522 1.00 0.00 H new ATOM 0 HB2 HIS A 605 2.259 5.844 -5.944 1.00 0.00 H new ATOM 0 HB3 HIS A 605 0.661 6.564 -5.981 1.00 0.00 H new ATOM 0 HD1 HIS A 605 4.091 7.276 -4.239 1.00 0.00 H new ATOM 0 HD2 HIS A 605 0.305 8.890 -5.009 1.00 0.00 H new ATOM 0 HE1 HIS A 605 4.120 9.784 -3.539 1.00 0.00 H new ATOM 336 N LYS A 606 0.828 3.217 -5.362 1.00 0.00 N ATOM 337 CA LYS A 606 0.113 2.090 -5.952 1.00 0.00 C ATOM 338 C LYS A 606 -0.810 1.438 -4.928 1.00 0.00 C ATOM 339 O LYS A 606 -1.936 1.056 -5.250 1.00 0.00 O ATOM 340 CB LYS A 606 1.095 1.054 -6.506 1.00 0.00 C ATOM 341 CG LYS A 606 1.929 1.565 -7.670 1.00 0.00 C ATOM 342 CD LYS A 606 1.050 2.019 -8.824 1.00 0.00 C ATOM 343 CE LYS A 606 1.878 2.469 -10.014 1.00 0.00 C ATOM 344 NZ LYS A 606 1.022 2.984 -11.115 1.00 0.00 N ATOM 0 H LYS A 606 1.844 3.124 -5.373 1.00 0.00 H new ATOM 0 HA LYS A 606 -0.493 2.472 -6.774 1.00 0.00 H new ATOM 0 HB2 LYS A 606 1.762 0.734 -5.705 1.00 0.00 H new ATOM 0 HB3 LYS A 606 0.538 0.174 -6.828 1.00 0.00 H new ATOM 0 HG2 LYS A 606 2.552 2.395 -7.337 1.00 0.00 H new ATOM 0 HG3 LYS A 606 2.602 0.778 -8.011 1.00 0.00 H new ATOM 0 HD2 LYS A 606 0.393 1.203 -9.125 1.00 0.00 H new ATOM 0 HD3 LYS A 606 0.410 2.838 -8.495 1.00 0.00 H new ATOM 0 HE2 LYS A 606 2.574 3.247 -9.700 1.00 0.00 H new ATOM 0 HE3 LYS A 606 2.476 1.634 -10.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 606 1.622 3.282 -11.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 606 0.375 2.234 -11.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 606 0.470 3.797 -10.774 1.00 0.00 H new ATOM 358 N LEU A 607 -0.325 1.314 -3.697 1.00 0.00 N ATOM 359 CA LEU A 607 -1.113 0.749 -2.612 1.00 0.00 C ATOM 360 C LEU A 607 -2.313 1.654 -2.313 1.00 0.00 C ATOM 361 O LEU A 607 -3.439 1.179 -2.166 1.00 0.00 O ATOM 362 CB LEU A 607 -0.230 0.566 -1.372 1.00 0.00 C ATOM 363 CG LEU A 607 -0.738 -0.434 -0.325 1.00 0.00 C ATOM 364 CD1 LEU A 607 0.397 -0.848 0.594 1.00 0.00 C ATOM 365 CD2 LEU A 607 -1.872 0.158 0.492 1.00 0.00 C ATOM 0 H LEU A 607 0.616 1.600 -3.427 1.00 0.00 H new ATOM 0 HA LEU A 607 -1.494 -0.229 -2.906 1.00 0.00 H new ATOM 0 HB2 LEU A 607 0.760 0.247 -1.699 1.00 0.00 H new ATOM 0 HB3 LEU A 607 -0.109 1.536 -0.890 1.00 0.00 H new ATOM 0 HG LEU A 607 -1.116 -1.311 -0.851 1.00 0.00 H new ATOM 0 HD11 LEU A 607 0.026 -1.558 1.333 1.00 0.00 H new ATOM 0 HD12 LEU A 607 1.188 -1.315 0.007 1.00 0.00 H new ATOM 0 HD13 LEU A 607 0.793 0.031 1.102 1.00 0.00 H new ATOM 0 HD21 LEU A 607 -2.212 -0.573 1.226 1.00 0.00 H new ATOM 0 HD22 LEU A 607 -1.521 1.053 1.007 1.00 0.00 H new ATOM 0 HD23 LEU A 607 -2.698 0.420 -0.169 1.00 0.00 H new ATOM 377 N VAL A 608 -2.060 2.959 -2.243 1.00 0.00 N ATOM 378 CA VAL A 608 -3.124 3.950 -2.071 1.00 0.00 C ATOM 379 C VAL A 608 -4.139 3.855 -3.214 1.00 0.00 C ATOM 380 O VAL A 608 -5.352 3.822 -2.991 1.00 0.00 O ATOM 381 CB VAL A 608 -2.539 5.381 -2.029 1.00 0.00 C ATOM 382 CG1 VAL A 608 -3.640 6.427 -1.936 1.00 0.00 C ATOM 383 CG2 VAL A 608 -1.566 5.526 -0.870 1.00 0.00 C ATOM 0 H VAL A 608 -1.123 3.358 -2.303 1.00 0.00 H new ATOM 0 HA VAL A 608 -3.624 3.739 -1.126 1.00 0.00 H new ATOM 0 HB VAL A 608 -1.999 5.548 -2.961 1.00 0.00 H new ATOM 0 HG11 VAL A 608 -3.195 7.422 -1.908 1.00 0.00 H new ATOM 0 HG12 VAL A 608 -4.293 6.346 -2.805 1.00 0.00 H new ATOM 0 HG13 VAL A 608 -4.221 6.264 -1.028 1.00 0.00 H new ATOM 0 HG21 VAL A 608 -1.165 6.539 -0.857 1.00 0.00 H new ATOM 0 HG22 VAL A 608 -2.085 5.329 0.068 1.00 0.00 H new ATOM 0 HG23 VAL A 608 -0.749 4.814 -0.989 1.00 0.00 H new ATOM 393 N GLN A 609 -3.612 3.788 -4.434 1.00 0.00 N ATOM 394 CA GLN A 609 -4.411 3.683 -5.651 1.00 0.00 C ATOM 395 C GLN A 609 -5.353 2.482 -5.584 1.00 0.00 C ATOM 396 O GLN A 609 -6.511 2.556 -5.999 1.00 0.00 O ATOM 397 CB GLN A 609 -3.469 3.539 -6.855 1.00 0.00 C ATOM 398 CG GLN A 609 -4.168 3.442 -8.202 1.00 0.00 C ATOM 399 CD GLN A 609 -4.734 4.767 -8.667 1.00 0.00 C ATOM 400 OE1 GLN A 609 -5.877 5.111 -8.368 1.00 0.00 O ATOM 401 NE2 GLN A 609 -3.939 5.517 -9.414 1.00 0.00 N ATOM 0 H GLN A 609 -2.607 3.805 -4.607 1.00 0.00 H new ATOM 0 HA GLN A 609 -5.017 4.583 -5.755 1.00 0.00 H new ATOM 0 HB2 GLN A 609 -2.792 4.393 -6.873 1.00 0.00 H new ATOM 0 HB3 GLN A 609 -2.856 2.649 -6.715 1.00 0.00 H new ATOM 0 HG2 GLN A 609 -3.463 3.072 -8.946 1.00 0.00 H new ATOM 0 HG3 GLN A 609 -4.974 2.711 -8.136 1.00 0.00 H new ATOM 0 HE21 GLN A 609 -2.998 5.195 -9.639 1.00 0.00 H new ATOM 0 HE22 GLN A 609 -4.268 6.417 -9.764 1.00 0.00 H new ATOM 410 N ALA A 610 -4.840 1.378 -5.056 1.00 0.00 N ATOM 411 CA ALA A 610 -5.605 0.144 -4.943 1.00 0.00 C ATOM 412 C ALA A 610 -6.822 0.318 -4.038 1.00 0.00 C ATOM 413 O ALA A 610 -7.903 -0.197 -4.336 1.00 0.00 O ATOM 414 CB ALA A 610 -4.720 -0.981 -4.429 1.00 0.00 C ATOM 0 H ALA A 610 -3.888 1.313 -4.696 1.00 0.00 H new ATOM 0 HA ALA A 610 -5.967 -0.115 -5.938 1.00 0.00 H new ATOM 0 HB1 ALA A 610 -5.305 -1.897 -4.350 1.00 0.00 H new ATOM 0 HB2 ALA A 610 -3.892 -1.138 -5.121 1.00 0.00 H new ATOM 0 HB3 ALA A 610 -4.327 -0.715 -3.448 1.00 0.00 H new ATOM 420 N ILE A 611 -6.651 1.049 -2.938 1.00 0.00 N ATOM 421 CA ILE A 611 -7.721 1.197 -1.957 1.00 0.00 C ATOM 422 C ILE A 611 -8.755 2.223 -2.431 1.00 0.00 C ATOM 423 O ILE A 611 -9.951 2.062 -2.184 1.00 0.00 O ATOM 424 CB ILE A 611 -7.172 1.620 -0.537 1.00 0.00 C ATOM 425 CG1 ILE A 611 -6.247 0.546 0.083 1.00 0.00 C ATOM 426 CG2 ILE A 611 -8.302 1.956 0.439 1.00 0.00 C ATOM 427 CD1 ILE A 611 -5.263 1.111 1.085 1.00 0.00 C ATOM 0 H ILE A 611 -5.790 1.543 -2.706 1.00 0.00 H new ATOM 0 HA ILE A 611 -8.195 0.220 -1.860 1.00 0.00 H new ATOM 0 HB ILE A 611 -6.581 2.520 -0.706 1.00 0.00 H new ATOM 0 HG12 ILE A 611 -6.859 -0.212 0.572 1.00 0.00 H new ATOM 0 HG13 ILE A 611 -5.697 0.046 -0.714 1.00 0.00 H new ATOM 0 HG21 ILE A 611 -7.878 2.241 1.402 1.00 0.00 H new ATOM 0 HG22 ILE A 611 -8.891 2.783 0.043 1.00 0.00 H new ATOM 0 HG23 ILE A 611 -8.942 1.083 0.569 1.00 0.00 H new ATOM 0 HD11 ILE A 611 -4.645 0.306 1.482 1.00 0.00 H new ATOM 0 HD12 ILE A 611 -4.627 1.848 0.595 1.00 0.00 H new ATOM 0 HD13 ILE A 611 -5.807 1.586 1.901 1.00 0.00 H new ATOM 439 N PHE A 612 -8.311 3.250 -3.150 1.00 0.00 N ATOM 440 CA PHE A 612 -9.196 4.345 -3.507 1.00 0.00 C ATOM 441 C PHE A 612 -8.714 5.038 -4.781 1.00 0.00 C ATOM 442 O PHE A 612 -7.758 5.814 -4.751 1.00 0.00 O ATOM 443 CB PHE A 612 -9.260 5.332 -2.341 1.00 0.00 C ATOM 444 CG PHE A 612 -10.443 6.253 -2.367 1.00 0.00 C ATOM 445 CD1 PHE A 612 -11.725 5.753 -2.528 1.00 0.00 C ATOM 446 CD2 PHE A 612 -10.273 7.615 -2.214 1.00 0.00 C ATOM 447 CE1 PHE A 612 -12.816 6.600 -2.535 1.00 0.00 C ATOM 448 CE2 PHE A 612 -11.359 8.467 -2.216 1.00 0.00 C ATOM 449 CZ PHE A 612 -12.631 7.960 -2.379 1.00 0.00 C ATOM 0 H PHE A 612 -7.355 3.344 -3.492 1.00 0.00 H new ATOM 0 HA PHE A 612 -10.194 3.955 -3.705 1.00 0.00 H new ATOM 0 HB2 PHE A 612 -9.274 4.770 -1.407 1.00 0.00 H new ATOM 0 HB3 PHE A 612 -8.350 5.931 -2.339 1.00 0.00 H new ATOM 0 HD1 PHE A 612 -11.873 4.690 -2.649 1.00 0.00 H new ATOM 0 HD2 PHE A 612 -9.279 8.018 -2.091 1.00 0.00 H new ATOM 0 HE1 PHE A 612 -13.811 6.200 -2.662 1.00 0.00 H new ATOM 0 HE2 PHE A 612 -11.213 9.530 -2.090 1.00 0.00 H new ATOM 0 HZ PHE A 612 -13.482 8.625 -2.385 1.00 0.00 H new ATOM 459 N PRO A 613 -9.366 4.758 -5.922 1.00 0.00 N ATOM 460 CA PRO A 613 -8.932 5.286 -7.218 1.00 0.00 C ATOM 461 C PRO A 613 -9.410 6.719 -7.475 1.00 0.00 C ATOM 462 O PRO A 613 -8.674 7.521 -8.045 1.00 0.00 O ATOM 463 CB PRO A 613 -9.564 4.308 -8.218 1.00 0.00 C ATOM 464 CG PRO A 613 -10.793 3.785 -7.536 1.00 0.00 C ATOM 465 CD PRO A 613 -10.559 3.884 -6.041 1.00 0.00 C ATOM 0 HA PRO A 613 -7.846 5.352 -7.288 1.00 0.00 H new ATOM 0 HB2 PRO A 613 -9.816 4.809 -9.153 1.00 0.00 H new ATOM 0 HB3 PRO A 613 -8.877 3.499 -8.465 1.00 0.00 H new ATOM 0 HG2 PRO A 613 -11.669 4.365 -7.827 1.00 0.00 H new ATOM 0 HG3 PRO A 613 -10.983 2.752 -7.827 1.00 0.00 H new ATOM 0 HD2 PRO A 613 -11.421 4.313 -5.530 1.00 0.00 H new ATOM 0 HD3 PRO A 613 -10.381 2.904 -5.599 1.00 0.00 H new ATOM 473 N THR A 614 -10.634 7.037 -7.059 1.00 0.00 N ATOM 474 CA THR A 614 -11.217 8.353 -7.315 1.00 0.00 C ATOM 475 C THR A 614 -10.590 9.445 -6.445 1.00 0.00 C ATOM 476 O THR A 614 -10.787 9.464 -5.228 1.00 0.00 O ATOM 477 CB THR A 614 -12.741 8.329 -7.073 1.00 0.00 C ATOM 478 OG1 THR A 614 -13.014 7.730 -5.798 1.00 0.00 O ATOM 479 CG2 THR A 614 -13.452 7.551 -8.169 1.00 0.00 C ATOM 0 H THR A 614 -11.242 6.401 -6.543 1.00 0.00 H new ATOM 0 HA THR A 614 -11.009 8.588 -8.359 1.00 0.00 H new ATOM 0 HB THR A 614 -13.111 9.354 -7.085 1.00 0.00 H new ATOM 0 HG1 THR A 614 -12.382 8.075 -5.133 1.00 0.00 H new ATOM 0 HG21 THR A 614 -14.525 7.548 -7.976 1.00 0.00 H new ATOM 0 HG22 THR A 614 -13.258 8.021 -9.133 1.00 0.00 H new ATOM 0 HG23 THR A 614 -13.084 6.525 -8.185 1.00 0.00 H new ATOM 487 N PRO A 615 -9.830 10.374 -7.055 1.00 0.00 N ATOM 488 CA PRO A 615 -9.237 11.512 -6.348 1.00 0.00 C ATOM 489 C PRO A 615 -10.249 12.638 -6.161 1.00 0.00 C ATOM 490 O PRO A 615 -10.136 13.702 -6.776 1.00 0.00 O ATOM 491 CB PRO A 615 -8.097 11.971 -7.281 1.00 0.00 C ATOM 492 CG PRO A 615 -8.081 10.985 -8.421 1.00 0.00 C ATOM 493 CD PRO A 615 -9.469 10.406 -8.477 1.00 0.00 C ATOM 0 HA PRO A 615 -8.896 11.244 -5.348 1.00 0.00 H new ATOM 0 HB2 PRO A 615 -8.271 12.985 -7.642 1.00 0.00 H new ATOM 0 HB3 PRO A 615 -7.141 11.979 -6.757 1.00 0.00 H new ATOM 0 HG2 PRO A 615 -7.823 11.476 -9.360 1.00 0.00 H new ATOM 0 HG3 PRO A 615 -7.338 10.205 -8.254 1.00 0.00 H new ATOM 0 HD2 PRO A 615 -10.150 11.027 -9.059 1.00 0.00 H new ATOM 0 HD3 PRO A 615 -9.481 9.413 -8.926 1.00 0.00 H new ATOM 501 N ASP A 616 -11.244 12.389 -5.323 1.00 0.00 N ATOM 502 CA ASP A 616 -12.300 13.364 -5.064 1.00 0.00 C ATOM 503 C ASP A 616 -11.737 14.545 -4.280 1.00 0.00 C ATOM 504 O ASP A 616 -11.073 14.354 -3.265 1.00 0.00 O ATOM 505 CB ASP A 616 -13.442 12.710 -4.273 1.00 0.00 C ATOM 506 CG ASP A 616 -14.626 13.639 -4.098 1.00 0.00 C ATOM 507 OD1 ASP A 616 -14.583 14.509 -3.204 1.00 0.00 O ATOM 508 OD2 ASP A 616 -15.607 13.503 -4.858 1.00 0.00 O ATOM 0 H ASP A 616 -11.345 11.515 -4.806 1.00 0.00 H new ATOM 0 HA ASP A 616 -12.690 13.721 -6.017 1.00 0.00 H new ATOM 0 HB2 ASP A 616 -13.766 11.805 -4.788 1.00 0.00 H new ATOM 0 HB3 ASP A 616 -13.074 12.405 -3.293 1.00 0.00 H new ATOM 513 N PRO A 617 -11.986 15.783 -4.759 1.00 0.00 N ATOM 514 CA PRO A 617 -11.443 17.007 -4.147 1.00 0.00 C ATOM 515 C PRO A 617 -11.795 17.163 -2.668 1.00 0.00 C ATOM 516 O PRO A 617 -11.076 17.832 -1.926 1.00 0.00 O ATOM 517 CB PRO A 617 -12.076 18.151 -4.965 1.00 0.00 C ATOM 518 CG PRO A 617 -13.193 17.524 -5.727 1.00 0.00 C ATOM 519 CD PRO A 617 -12.795 16.093 -5.951 1.00 0.00 C ATOM 0 HA PRO A 617 -10.353 16.994 -4.170 1.00 0.00 H new ATOM 0 HB2 PRO A 617 -12.442 18.944 -4.313 1.00 0.00 H new ATOM 0 HB3 PRO A 617 -11.347 18.603 -5.638 1.00 0.00 H new ATOM 0 HG2 PRO A 617 -14.128 17.586 -5.169 1.00 0.00 H new ATOM 0 HG3 PRO A 617 -13.353 18.037 -6.675 1.00 0.00 H new ATOM 0 HD2 PRO A 617 -13.664 15.440 -6.030 1.00 0.00 H new ATOM 0 HD3 PRO A 617 -12.222 15.973 -6.870 1.00 0.00 H new ATOM 527 N ALA A 618 -12.902 16.572 -2.236 1.00 0.00 N ATOM 528 CA ALA A 618 -13.296 16.652 -0.837 1.00 0.00 C ATOM 529 C ALA A 618 -12.615 15.553 -0.040 1.00 0.00 C ATOM 530 O ALA A 618 -12.055 15.804 1.027 1.00 0.00 O ATOM 531 CB ALA A 618 -14.808 16.561 -0.693 1.00 0.00 C ATOM 0 H ALA A 618 -13.537 16.037 -2.829 1.00 0.00 H new ATOM 0 HA ALA A 618 -12.980 17.618 -0.443 1.00 0.00 H new ATOM 0 HB1 ALA A 618 -15.077 16.623 0.361 1.00 0.00 H new ATOM 0 HB2 ALA A 618 -15.275 17.383 -1.236 1.00 0.00 H new ATOM 0 HB3 ALA A 618 -15.156 15.612 -1.101 1.00 0.00 H new ATOM 537 N ALA A 619 -12.673 14.335 -0.569 1.00 0.00 N ATOM 538 CA ALA A 619 -11.996 13.194 0.038 1.00 0.00 C ATOM 539 C ALA A 619 -10.489 13.429 0.144 1.00 0.00 C ATOM 540 O ALA A 619 -9.838 12.935 1.063 1.00 0.00 O ATOM 541 CB ALA A 619 -12.283 11.928 -0.757 1.00 0.00 C ATOM 0 H ALA A 619 -13.185 14.112 -1.422 1.00 0.00 H new ATOM 0 HA ALA A 619 -12.384 13.073 1.049 1.00 0.00 H new ATOM 0 HB1 ALA A 619 -11.772 11.084 -0.294 1.00 0.00 H new ATOM 0 HB2 ALA A 619 -13.357 11.741 -0.768 1.00 0.00 H new ATOM 0 HB3 ALA A 619 -11.926 12.052 -1.779 1.00 0.00 H new ATOM 547 N LEU A 620 -9.943 14.192 -0.797 1.00 0.00 N ATOM 548 CA LEU A 620 -8.524 14.536 -0.781 1.00 0.00 C ATOM 549 C LEU A 620 -8.211 15.373 0.458 1.00 0.00 C ATOM 550 O LEU A 620 -7.120 15.296 1.019 1.00 0.00 O ATOM 551 CB LEU A 620 -8.152 15.311 -2.052 1.00 0.00 C ATOM 552 CG LEU A 620 -6.863 14.865 -2.760 1.00 0.00 C ATOM 553 CD1 LEU A 620 -5.657 14.968 -1.836 1.00 0.00 C ATOM 554 CD2 LEU A 620 -7.006 13.448 -3.296 1.00 0.00 C ATOM 0 H LEU A 620 -10.462 14.585 -1.582 1.00 0.00 H new ATOM 0 HA LEU A 620 -7.936 13.619 -0.749 1.00 0.00 H new ATOM 0 HB2 LEU A 620 -8.978 15.229 -2.758 1.00 0.00 H new ATOM 0 HB3 LEU A 620 -8.056 16.366 -1.795 1.00 0.00 H new ATOM 0 HG LEU A 620 -6.698 15.539 -3.601 1.00 0.00 H new ATOM 0 HD11 LEU A 620 -4.762 14.645 -2.368 1.00 0.00 H new ATOM 0 HD12 LEU A 620 -5.534 16.002 -1.513 1.00 0.00 H new ATOM 0 HD13 LEU A 620 -5.811 14.331 -0.965 1.00 0.00 H new ATOM 0 HD21 LEU A 620 -6.082 13.152 -3.793 1.00 0.00 H new ATOM 0 HD22 LEU A 620 -7.208 12.765 -2.471 1.00 0.00 H new ATOM 0 HD23 LEU A 620 -7.830 13.410 -4.009 1.00 0.00 H new ATOM 566 N LYS A 621 -9.193 16.151 0.891 1.00 0.00 N ATOM 567 CA LYS A 621 -9.043 17.007 2.058 1.00 0.00 C ATOM 568 C LYS A 621 -9.629 16.336 3.298 1.00 0.00 C ATOM 569 O LYS A 621 -9.850 16.983 4.323 1.00 0.00 O ATOM 570 CB LYS A 621 -9.747 18.346 1.807 1.00 0.00 C ATOM 571 CG LYS A 621 -9.204 19.103 0.603 1.00 0.00 C ATOM 572 CD LYS A 621 -10.051 20.321 0.274 1.00 0.00 C ATOM 573 CE LYS A 621 -10.133 21.288 1.444 1.00 0.00 C ATOM 574 NZ LYS A 621 -10.867 22.532 1.089 1.00 0.00 N ATOM 0 H LYS A 621 -10.109 16.206 0.447 1.00 0.00 H new ATOM 0 HA LYS A 621 -7.981 17.181 2.230 1.00 0.00 H new ATOM 0 HB2 LYS A 621 -10.812 18.166 1.662 1.00 0.00 H new ATOM 0 HB3 LYS A 621 -9.647 18.971 2.694 1.00 0.00 H new ATOM 0 HG2 LYS A 621 -8.179 19.416 0.802 1.00 0.00 H new ATOM 0 HG3 LYS A 621 -9.172 18.438 -0.260 1.00 0.00 H new ATOM 0 HD2 LYS A 621 -9.630 20.833 -0.591 1.00 0.00 H new ATOM 0 HD3 LYS A 621 -11.055 20.001 -0.003 1.00 0.00 H new ATOM 0 HE2 LYS A 621 -10.630 20.801 2.283 1.00 0.00 H new ATOM 0 HE3 LYS A 621 -9.126 21.543 1.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 621 -10.900 23.163 1.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 621 -10.379 23.011 0.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 621 -11.836 22.292 0.798 1.00 0.00 H new ATOM 588 N ASP A 622 -9.871 15.034 3.200 1.00 0.00 N ATOM 589 CA ASP A 622 -10.490 14.280 4.283 1.00 0.00 C ATOM 590 C ASP A 622 -9.433 13.522 5.081 1.00 0.00 C ATOM 591 O ASP A 622 -8.537 12.892 4.511 1.00 0.00 O ATOM 592 CB ASP A 622 -11.530 13.305 3.717 1.00 0.00 C ATOM 593 CG ASP A 622 -12.174 12.455 4.790 1.00 0.00 C ATOM 594 OD1 ASP A 622 -13.202 12.884 5.359 1.00 0.00 O ATOM 595 OD2 ASP A 622 -11.661 11.360 5.069 1.00 0.00 O ATOM 0 H ASP A 622 -9.646 14.476 2.376 1.00 0.00 H new ATOM 0 HA ASP A 622 -10.990 14.980 4.953 1.00 0.00 H new ATOM 0 HB2 ASP A 622 -12.302 13.867 3.192 1.00 0.00 H new ATOM 0 HB3 ASP A 622 -11.053 12.656 2.982 1.00 0.00 H new ATOM 600 N ARG A 623 -9.538 13.622 6.408 1.00 0.00 N ATOM 601 CA ARG A 623 -8.606 12.986 7.338 1.00 0.00 C ATOM 602 C ARG A 623 -8.505 11.476 7.140 1.00 0.00 C ATOM 603 O ARG A 623 -7.423 10.906 7.282 1.00 0.00 O ATOM 604 CB ARG A 623 -9.009 13.288 8.784 1.00 0.00 C ATOM 605 CG ARG A 623 -8.739 14.722 9.212 1.00 0.00 C ATOM 606 CD ARG A 623 -7.261 15.052 9.101 1.00 0.00 C ATOM 607 NE ARG A 623 -6.932 16.368 9.641 1.00 0.00 N ATOM 608 CZ ARG A 623 -5.805 17.019 9.360 1.00 0.00 C ATOM 609 NH1 ARG A 623 -4.947 16.524 8.476 1.00 0.00 N ATOM 610 NH2 ARG A 623 -5.543 18.176 9.951 1.00 0.00 N ATOM 0 H ARG A 623 -10.278 14.151 6.869 1.00 0.00 H new ATOM 0 HA ARG A 623 -7.623 13.407 7.128 1.00 0.00 H new ATOM 0 HB2 ARG A 623 -10.071 13.076 8.907 1.00 0.00 H new ATOM 0 HB3 ARG A 623 -8.471 12.613 9.449 1.00 0.00 H new ATOM 0 HG2 ARG A 623 -9.316 15.406 8.590 1.00 0.00 H new ATOM 0 HG3 ARG A 623 -9.072 14.868 10.240 1.00 0.00 H new ATOM 0 HD2 ARG A 623 -6.684 14.293 9.629 1.00 0.00 H new ATOM 0 HD3 ARG A 623 -6.962 15.009 8.054 1.00 0.00 H new ATOM 0 HE ARG A 623 -7.602 16.813 10.268 1.00 0.00 H new ATOM 0 HH11 ARG A 623 -5.150 15.641 8.008 1.00 0.00 H new ATOM 0 HH12 ARG A 623 -4.085 17.027 8.265 1.00 0.00 H new ATOM 0 HH21 ARG A 623 -6.205 18.568 10.621 1.00 0.00 H new ATOM 0 HH22 ARG A 623 -4.680 18.675 9.736 1.00 0.00 H new ATOM 624 N ARG A 624 -9.623 10.826 6.836 1.00 0.00 N ATOM 625 CA ARG A 624 -9.642 9.361 6.757 1.00 0.00 C ATOM 626 C ARG A 624 -8.750 8.872 5.619 1.00 0.00 C ATOM 627 O ARG A 624 -8.062 7.859 5.761 1.00 0.00 O ATOM 628 CB ARG A 624 -11.062 8.775 6.604 1.00 0.00 C ATOM 629 CG ARG A 624 -11.898 8.780 7.886 1.00 0.00 C ATOM 630 CD ARG A 624 -12.783 7.530 7.996 1.00 0.00 C ATOM 631 NE ARG A 624 -11.994 6.319 8.236 1.00 0.00 N ATOM 632 CZ ARG A 624 -12.521 5.099 8.379 1.00 0.00 C ATOM 633 NH1 ARG A 624 -13.834 4.922 8.261 1.00 0.00 N ATOM 634 NH2 ARG A 624 -11.733 4.061 8.642 1.00 0.00 N ATOM 0 H ARG A 624 -10.517 11.277 6.642 1.00 0.00 H new ATOM 0 HA ARG A 624 -9.253 9.001 7.710 1.00 0.00 H new ATOM 0 HB2 ARG A 624 -11.593 9.340 5.838 1.00 0.00 H new ATOM 0 HB3 ARG A 624 -10.980 7.749 6.244 1.00 0.00 H new ATOM 0 HG2 ARG A 624 -11.237 8.834 8.751 1.00 0.00 H new ATOM 0 HG3 ARG A 624 -12.524 9.672 7.908 1.00 0.00 H new ATOM 0 HD2 ARG A 624 -13.499 7.663 8.807 1.00 0.00 H new ATOM 0 HD3 ARG A 624 -13.359 7.412 7.078 1.00 0.00 H new ATOM 0 HE ARG A 624 -10.980 6.413 8.298 1.00 0.00 H new ATOM 0 HH11 ARG A 624 -14.440 5.718 8.061 1.00 0.00 H new ATOM 0 HH12 ARG A 624 -14.235 3.990 8.370 1.00 0.00 H new ATOM 0 HH21 ARG A 624 -10.726 4.196 8.735 1.00 0.00 H new ATOM 0 HH22 ARG A 624 -12.135 3.130 8.751 1.00 0.00 H new ATOM 648 N MET A 625 -8.760 9.589 4.492 1.00 0.00 N ATOM 649 CA MET A 625 -7.897 9.237 3.366 1.00 0.00 C ATOM 650 C MET A 625 -6.427 9.212 3.791 1.00 0.00 C ATOM 651 O MET A 625 -5.670 8.333 3.378 1.00 0.00 O ATOM 652 CB MET A 625 -8.095 10.183 2.167 1.00 0.00 C ATOM 653 CG MET A 625 -7.012 10.027 1.097 1.00 0.00 C ATOM 654 SD MET A 625 -7.161 11.214 -0.255 1.00 0.00 S ATOM 655 CE MET A 625 -8.667 10.649 -1.039 1.00 0.00 C ATOM 0 H MET A 625 -9.349 10.407 4.337 1.00 0.00 H new ATOM 0 HA MET A 625 -8.185 8.236 3.044 1.00 0.00 H new ATOM 0 HB2 MET A 625 -9.070 9.994 1.719 1.00 0.00 H new ATOM 0 HB3 MET A 625 -8.102 11.214 2.522 1.00 0.00 H new ATOM 0 HG2 MET A 625 -6.033 10.140 1.563 1.00 0.00 H new ATOM 0 HG3 MET A 625 -7.057 9.017 0.690 1.00 0.00 H new ATOM 0 HE1 MET A 625 -8.826 11.204 -1.964 1.00 0.00 H new ATOM 0 HE2 MET A 625 -8.584 9.586 -1.263 1.00 0.00 H new ATOM 0 HE3 MET A 625 -9.510 10.813 -0.368 1.00 0.00 H new ATOM 665 N GLU A 626 -6.032 10.165 4.634 1.00 0.00 N ATOM 666 CA GLU A 626 -4.653 10.256 5.091 1.00 0.00 C ATOM 667 C GLU A 626 -4.256 8.999 5.851 1.00 0.00 C ATOM 668 O GLU A 626 -3.134 8.521 5.725 1.00 0.00 O ATOM 669 CB GLU A 626 -4.447 11.489 5.968 1.00 0.00 C ATOM 670 CG GLU A 626 -4.659 12.798 5.229 1.00 0.00 C ATOM 671 CD GLU A 626 -4.398 14.008 6.098 1.00 0.00 C ATOM 672 OE1 GLU A 626 -5.309 14.410 6.846 1.00 0.00 O ATOM 673 OE2 GLU A 626 -3.284 14.565 6.041 1.00 0.00 O ATOM 0 H GLU A 626 -6.650 10.883 5.012 1.00 0.00 H new ATOM 0 HA GLU A 626 -4.015 10.350 4.212 1.00 0.00 H new ATOM 0 HB2 GLU A 626 -5.133 11.443 6.814 1.00 0.00 H new ATOM 0 HB3 GLU A 626 -3.436 11.470 6.376 1.00 0.00 H new ATOM 0 HG2 GLU A 626 -4.001 12.831 4.361 1.00 0.00 H new ATOM 0 HG3 GLU A 626 -5.682 12.838 4.855 1.00 0.00 H new ATOM 680 N ASN A 627 -5.188 8.470 6.639 1.00 0.00 N ATOM 681 CA ASN A 627 -4.930 7.273 7.437 1.00 0.00 C ATOM 682 C ASN A 627 -4.560 6.092 6.551 1.00 0.00 C ATOM 683 O ASN A 627 -3.644 5.334 6.870 1.00 0.00 O ATOM 684 CB ASN A 627 -6.146 6.897 8.290 1.00 0.00 C ATOM 685 CG ASN A 627 -6.383 7.839 9.462 1.00 0.00 C ATOM 686 OD1 ASN A 627 -5.974 9.092 9.328 1.00 0.00 O flip ATOM 687 ND2 ASN A 627 -6.932 7.438 10.489 1.00 0.00 N flip ATOM 0 H ASN A 627 -6.129 8.851 6.743 1.00 0.00 H new ATOM 0 HA ASN A 627 -4.093 7.506 8.095 1.00 0.00 H new ATOM 0 HB2 ASN A 627 -7.034 6.887 7.658 1.00 0.00 H new ATOM 0 HB3 ASN A 627 -6.014 5.884 8.670 1.00 0.00 H new ATOM 0 HD21 ASN A 627 -7.235 6.467 10.559 1.00 0.00 H new ATOM 0 HD22 ASN A 627 -7.084 8.077 11.269 1.00 0.00 H new ATOM 694 N LEU A 628 -5.274 5.932 5.438 1.00 0.00 N ATOM 695 CA LEU A 628 -4.998 4.829 4.518 1.00 0.00 C ATOM 696 C LEU A 628 -3.633 5.037 3.863 1.00 0.00 C ATOM 697 O LEU A 628 -2.874 4.087 3.673 1.00 0.00 O ATOM 698 CB LEU A 628 -6.141 4.656 3.476 1.00 0.00 C ATOM 699 CG LEU A 628 -6.048 5.463 2.168 1.00 0.00 C ATOM 700 CD1 LEU A 628 -5.150 4.764 1.155 1.00 0.00 C ATOM 701 CD2 LEU A 628 -7.434 5.663 1.579 1.00 0.00 C ATOM 0 H LEU A 628 -6.039 6.544 5.153 1.00 0.00 H new ATOM 0 HA LEU A 628 -4.962 3.896 5.080 1.00 0.00 H new ATOM 0 HB2 LEU A 628 -6.199 3.599 3.214 1.00 0.00 H new ATOM 0 HB3 LEU A 628 -7.081 4.915 3.964 1.00 0.00 H new ATOM 0 HG LEU A 628 -5.611 6.434 2.400 1.00 0.00 H new ATOM 0 HD11 LEU A 628 -5.103 5.356 0.241 1.00 0.00 H new ATOM 0 HD12 LEU A 628 -4.148 4.657 1.570 1.00 0.00 H new ATOM 0 HD13 LEU A 628 -5.556 3.778 0.928 1.00 0.00 H new ATOM 0 HD21 LEU A 628 -7.357 6.235 0.654 1.00 0.00 H new ATOM 0 HD22 LEU A 628 -7.884 4.693 1.369 1.00 0.00 H new ATOM 0 HD23 LEU A 628 -8.057 6.205 2.290 1.00 0.00 H new ATOM 713 N VAL A 629 -3.321 6.290 3.532 1.00 0.00 N ATOM 714 CA VAL A 629 -2.034 6.623 2.930 1.00 0.00 C ATOM 715 C VAL A 629 -0.913 6.356 3.928 1.00 0.00 C ATOM 716 O VAL A 629 0.115 5.764 3.593 1.00 0.00 O ATOM 717 CB VAL A 629 -1.977 8.100 2.479 1.00 0.00 C ATOM 718 CG1 VAL A 629 -0.620 8.427 1.874 1.00 0.00 C ATOM 719 CG2 VAL A 629 -3.089 8.401 1.486 1.00 0.00 C ATOM 0 H VAL A 629 -3.941 7.088 3.671 1.00 0.00 H new ATOM 0 HA VAL A 629 -1.909 5.995 2.048 1.00 0.00 H new ATOM 0 HB VAL A 629 -2.121 8.729 3.358 1.00 0.00 H new ATOM 0 HG11 VAL A 629 -0.602 9.472 1.563 1.00 0.00 H new ATOM 0 HG12 VAL A 629 0.160 8.256 2.616 1.00 0.00 H new ATOM 0 HG13 VAL A 629 -0.444 7.788 1.008 1.00 0.00 H new ATOM 0 HG21 VAL A 629 -3.031 9.446 1.181 1.00 0.00 H new ATOM 0 HG22 VAL A 629 -2.978 7.761 0.611 1.00 0.00 H new ATOM 0 HG23 VAL A 629 -4.055 8.212 1.954 1.00 0.00 H new ATOM 729 N ALA A 630 -1.132 6.799 5.158 1.00 0.00 N ATOM 730 CA ALA A 630 -0.206 6.560 6.251 1.00 0.00 C ATOM 731 C ALA A 630 -0.033 5.060 6.495 1.00 0.00 C ATOM 732 O ALA A 630 1.062 4.599 6.816 1.00 0.00 O ATOM 733 CB ALA A 630 -0.675 7.284 7.506 1.00 0.00 C ATOM 0 H ALA A 630 -1.958 7.335 5.424 1.00 0.00 H new ATOM 0 HA ALA A 630 0.771 6.960 5.980 1.00 0.00 H new ATOM 0 HB1 ALA A 630 0.028 7.097 8.318 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -0.727 8.355 7.310 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -1.662 6.919 7.789 1.00 0.00 H new ATOM 739 N TYR A 631 -1.120 4.305 6.360 1.00 0.00 N ATOM 740 CA TYR A 631 -1.058 2.851 6.477 1.00 0.00 C ATOM 741 C TYR A 631 -0.155 2.272 5.387 1.00 0.00 C ATOM 742 O TYR A 631 0.605 1.335 5.634 1.00 0.00 O ATOM 743 CB TYR A 631 -2.456 2.217 6.401 1.00 0.00 C ATOM 744 CG TYR A 631 -2.471 0.755 6.779 1.00 0.00 C ATOM 745 CD1 TYR A 631 -2.172 0.357 8.075 1.00 0.00 C ATOM 746 CD2 TYR A 631 -2.786 -0.225 5.847 1.00 0.00 C ATOM 747 CE1 TYR A 631 -2.183 -0.974 8.433 1.00 0.00 C ATOM 748 CE2 TYR A 631 -2.799 -1.561 6.200 1.00 0.00 C ATOM 749 CZ TYR A 631 -2.497 -1.929 7.493 1.00 0.00 C ATOM 750 OH TYR A 631 -2.511 -3.257 7.847 1.00 0.00 O ATOM 0 H TYR A 631 -2.052 4.674 6.170 1.00 0.00 H new ATOM 0 HA TYR A 631 -0.638 2.613 7.455 1.00 0.00 H new ATOM 0 HB2 TYR A 631 -3.131 2.762 7.061 1.00 0.00 H new ATOM 0 HB3 TYR A 631 -2.843 2.327 5.388 1.00 0.00 H new ATOM 0 HD1 TYR A 631 -1.926 1.104 8.816 1.00 0.00 H new ATOM 0 HD2 TYR A 631 -3.024 0.061 4.833 1.00 0.00 H new ATOM 0 HE1 TYR A 631 -1.947 -1.266 9.446 1.00 0.00 H new ATOM 0 HE2 TYR A 631 -3.045 -2.314 5.465 1.00 0.00 H new ATOM 0 HH TYR A 631 -2.753 -3.801 7.068 1.00 0.00 H new ATOM 760 N ALA A 632 -0.239 2.837 4.183 1.00 0.00 N ATOM 761 CA ALA A 632 0.619 2.416 3.078 1.00 0.00 C ATOM 762 C ALA A 632 2.086 2.687 3.416 1.00 0.00 C ATOM 763 O ALA A 632 2.959 1.867 3.134 1.00 0.00 O ATOM 764 CB ALA A 632 0.222 3.122 1.783 1.00 0.00 C ATOM 0 H ALA A 632 -0.891 3.586 3.949 1.00 0.00 H new ATOM 0 HA ALA A 632 0.490 1.344 2.928 1.00 0.00 H new ATOM 0 HB1 ALA A 632 0.875 2.793 0.974 1.00 0.00 H new ATOM 0 HB2 ALA A 632 -0.812 2.878 1.538 1.00 0.00 H new ATOM 0 HB3 ALA A 632 0.319 4.200 1.912 1.00 0.00 H new ATOM 770 N LYS A 633 2.346 3.850 4.016 1.00 0.00 N ATOM 771 CA LYS A 633 3.661 4.185 4.551 1.00 0.00 C ATOM 772 C LYS A 633 4.147 3.137 5.538 1.00 0.00 C ATOM 773 O LYS A 633 5.283 2.673 5.474 1.00 0.00 O ATOM 774 CB LYS A 633 3.566 5.513 5.286 1.00 0.00 C ATOM 775 CG LYS A 633 3.177 6.700 4.417 1.00 0.00 C ATOM 776 CD LYS A 633 3.975 6.756 3.129 1.00 0.00 C ATOM 777 CE LYS A 633 3.622 7.992 2.314 1.00 0.00 C ATOM 778 NZ LYS A 633 3.859 9.246 3.075 1.00 0.00 N ATOM 0 H LYS A 633 1.649 4.584 4.143 1.00 0.00 H new ATOM 0 HA LYS A 633 4.362 4.235 3.718 1.00 0.00 H new ATOM 0 HB2 LYS A 633 2.836 5.415 6.090 1.00 0.00 H new ATOM 0 HB3 LYS A 633 4.528 5.723 5.753 1.00 0.00 H new ATOM 0 HG2 LYS A 633 2.114 6.642 4.181 1.00 0.00 H new ATOM 0 HG3 LYS A 633 3.330 7.623 4.977 1.00 0.00 H new ATOM 0 HD2 LYS A 633 5.041 6.761 3.359 1.00 0.00 H new ATOM 0 HD3 LYS A 633 3.780 5.861 2.539 1.00 0.00 H new ATOM 0 HE2 LYS A 633 4.215 8.005 1.400 1.00 0.00 H new ATOM 0 HE3 LYS A 633 2.575 7.942 2.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 633 3.888 10.051 2.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 633 3.090 9.387 3.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 633 4.765 9.179 3.580 1.00 0.00 H new ATOM 792 N LYS A 634 3.282 2.803 6.472 1.00 0.00 N ATOM 793 CA LYS A 634 3.567 1.764 7.450 1.00 0.00 C ATOM 794 C LYS A 634 3.948 0.463 6.745 1.00 0.00 C ATOM 795 O LYS A 634 4.909 -0.205 7.130 1.00 0.00 O ATOM 796 CB LYS A 634 2.344 1.543 8.350 1.00 0.00 C ATOM 797 CG LYS A 634 2.513 0.412 9.354 1.00 0.00 C ATOM 798 CD LYS A 634 3.617 0.709 10.356 1.00 0.00 C ATOM 799 CE LYS A 634 3.916 -0.501 11.224 1.00 0.00 C ATOM 800 NZ LYS A 634 4.394 -1.653 10.417 1.00 0.00 N ATOM 0 H LYS A 634 2.366 3.238 6.578 1.00 0.00 H new ATOM 0 HA LYS A 634 4.407 2.082 8.068 1.00 0.00 H new ATOM 0 HB2 LYS A 634 2.131 2.466 8.890 1.00 0.00 H new ATOM 0 HB3 LYS A 634 1.477 1.333 7.723 1.00 0.00 H new ATOM 0 HG2 LYS A 634 1.574 0.253 9.884 1.00 0.00 H new ATOM 0 HG3 LYS A 634 2.741 -0.513 8.825 1.00 0.00 H new ATOM 0 HD2 LYS A 634 4.520 1.011 9.826 1.00 0.00 H new ATOM 0 HD3 LYS A 634 3.322 1.548 10.987 1.00 0.00 H new ATOM 0 HE2 LYS A 634 4.670 -0.239 11.966 1.00 0.00 H new ATOM 0 HE3 LYS A 634 3.017 -0.788 11.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 634 5.238 -2.064 10.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 634 3.645 -2.373 10.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 634 4.634 -1.329 9.458 1.00 0.00 H new ATOM 814 N VAL A 635 3.183 0.111 5.717 1.00 0.00 N ATOM 815 CA VAL A 635 3.490 -1.052 4.894 1.00 0.00 C ATOM 816 C VAL A 635 4.893 -0.975 4.288 1.00 0.00 C ATOM 817 O VAL A 635 5.668 -1.916 4.429 1.00 0.00 O ATOM 818 CB VAL A 635 2.442 -1.240 3.770 1.00 0.00 C ATOM 819 CG1 VAL A 635 2.988 -2.107 2.646 1.00 0.00 C ATOM 820 CG2 VAL A 635 1.178 -1.867 4.331 1.00 0.00 C ATOM 0 H VAL A 635 2.344 0.617 5.434 1.00 0.00 H new ATOM 0 HA VAL A 635 3.455 -1.917 5.557 1.00 0.00 H new ATOM 0 HB VAL A 635 2.210 -0.256 3.363 1.00 0.00 H new ATOM 0 HG11 VAL A 635 2.229 -2.220 1.872 1.00 0.00 H new ATOM 0 HG12 VAL A 635 3.873 -1.635 2.220 1.00 0.00 H new ATOM 0 HG13 VAL A 635 3.254 -3.088 3.040 1.00 0.00 H new ATOM 0 HG21 VAL A 635 0.449 -1.994 3.531 1.00 0.00 H new ATOM 0 HG22 VAL A 635 1.415 -2.839 4.764 1.00 0.00 H new ATOM 0 HG23 VAL A 635 0.761 -1.219 5.102 1.00 0.00 H new ATOM 830 N GLU A 636 5.221 0.139 3.634 1.00 0.00 N ATOM 831 CA GLU A 636 6.542 0.289 3.001 1.00 0.00 C ATOM 832 C GLU A 636 7.661 0.087 4.020 1.00 0.00 C ATOM 833 O GLU A 636 8.677 -0.543 3.720 1.00 0.00 O ATOM 834 CB GLU A 636 6.686 1.637 2.242 1.00 0.00 C ATOM 835 CG GLU A 636 6.999 2.889 3.078 1.00 0.00 C ATOM 836 CD GLU A 636 8.473 3.065 3.399 1.00 0.00 C ATOM 837 OE1 GLU A 636 9.314 2.849 2.504 1.00 0.00 O ATOM 838 OE2 GLU A 636 8.789 3.443 4.552 1.00 0.00 O ATOM 0 H GLU A 636 4.604 0.944 3.526 1.00 0.00 H new ATOM 0 HA GLU A 636 6.630 -0.494 2.248 1.00 0.00 H new ATOM 0 HB2 GLU A 636 7.475 1.522 1.498 1.00 0.00 H new ATOM 0 HB3 GLU A 636 5.759 1.818 1.698 1.00 0.00 H new ATOM 0 HG2 GLU A 636 6.647 3.770 2.540 1.00 0.00 H new ATOM 0 HG3 GLU A 636 6.438 2.840 4.011 1.00 0.00 H new ATOM 845 N GLY A 637 7.463 0.605 5.225 1.00 0.00 N ATOM 846 CA GLY A 637 8.445 0.424 6.279 1.00 0.00 C ATOM 847 C GLY A 637 8.600 -1.029 6.680 1.00 0.00 C ATOM 848 O GLY A 637 9.718 -1.533 6.780 1.00 0.00 O ATOM 0 H GLY A 637 6.641 1.147 5.492 1.00 0.00 H new ATOM 0 HA2 GLY A 637 9.408 0.811 5.945 1.00 0.00 H new ATOM 0 HA3 GLY A 637 8.151 1.009 7.150 1.00 0.00 H new ATOM 852 N ASP A 638 7.476 -1.700 6.916 1.00 0.00 N ATOM 853 CA ASP A 638 7.483 -3.109 7.307 1.00 0.00 C ATOM 854 C ASP A 638 8.044 -3.984 6.192 1.00 0.00 C ATOM 855 O ASP A 638 8.832 -4.900 6.442 1.00 0.00 O ATOM 856 CB ASP A 638 6.072 -3.570 7.676 1.00 0.00 C ATOM 857 CG ASP A 638 6.043 -4.996 8.187 1.00 0.00 C ATOM 858 OD1 ASP A 638 6.686 -5.275 9.221 1.00 0.00 O ATOM 859 OD2 ASP A 638 5.377 -5.847 7.558 1.00 0.00 O ATOM 0 H ASP A 638 6.545 -1.290 6.843 1.00 0.00 H new ATOM 0 HA ASP A 638 8.128 -3.211 8.180 1.00 0.00 H new ATOM 0 HB2 ASP A 638 5.664 -2.906 8.438 1.00 0.00 H new ATOM 0 HB3 ASP A 638 5.426 -3.487 6.802 1.00 0.00 H new ATOM 864 N MET A 639 7.638 -3.689 4.958 1.00 0.00 N ATOM 865 CA MET A 639 8.135 -4.415 3.788 1.00 0.00 C ATOM 866 C MET A 639 9.643 -4.317 3.711 1.00 0.00 C ATOM 867 O MET A 639 10.298 -5.287 3.379 1.00 0.00 O ATOM 868 CB MET A 639 7.538 -3.886 2.466 1.00 0.00 C ATOM 869 CG MET A 639 6.031 -4.029 2.353 1.00 0.00 C ATOM 870 SD MET A 639 5.523 -5.744 2.169 1.00 0.00 S ATOM 871 CE MET A 639 3.763 -5.534 1.984 1.00 0.00 C ATOM 0 H MET A 639 6.966 -2.953 4.742 1.00 0.00 H new ATOM 0 HA MET A 639 7.824 -5.452 3.912 1.00 0.00 H new ATOM 0 HB2 MET A 639 7.799 -2.833 2.360 1.00 0.00 H new ATOM 0 HB3 MET A 639 8.004 -4.415 1.635 1.00 0.00 H new ATOM 0 HG2 MET A 639 5.560 -3.606 3.240 1.00 0.00 H new ATOM 0 HG3 MET A 639 5.676 -3.453 1.498 1.00 0.00 H new ATOM 0 HE1 MET A 639 3.346 -6.399 1.468 1.00 0.00 H new ATOM 0 HE2 MET A 639 3.302 -5.441 2.967 1.00 0.00 H new ATOM 0 HE3 MET A 639 3.563 -4.633 1.403 1.00 0.00 H new ATOM 881 N TYR A 640 10.176 -3.143 4.036 1.00 0.00 N ATOM 882 CA TYR A 640 11.608 -2.871 3.875 1.00 0.00 C ATOM 883 C TYR A 640 12.471 -3.956 4.533 1.00 0.00 C ATOM 884 O TYR A 640 13.520 -4.316 3.996 1.00 0.00 O ATOM 885 CB TYR A 640 11.990 -1.477 4.404 1.00 0.00 C ATOM 886 CG TYR A 640 13.296 -0.959 3.834 1.00 0.00 C ATOM 887 CD1 TYR A 640 13.491 -0.897 2.458 1.00 0.00 C ATOM 888 CD2 TYR A 640 14.334 -0.540 4.658 1.00 0.00 C ATOM 889 CE1 TYR A 640 14.675 -0.433 1.923 1.00 0.00 C ATOM 890 CE2 TYR A 640 15.522 -0.075 4.129 1.00 0.00 C ATOM 891 CZ TYR A 640 15.688 -0.023 2.761 1.00 0.00 C ATOM 892 OH TYR A 640 16.874 0.438 2.232 1.00 0.00 O ATOM 0 H TYR A 640 9.640 -2.361 4.413 1.00 0.00 H new ATOM 0 HA TYR A 640 11.809 -2.887 2.804 1.00 0.00 H new ATOM 0 HB2 TYR A 640 11.192 -0.774 4.165 1.00 0.00 H new ATOM 0 HB3 TYR A 640 12.065 -1.516 5.491 1.00 0.00 H new ATOM 0 HD1 TYR A 640 12.700 -1.218 1.796 1.00 0.00 H new ATOM 0 HD2 TYR A 640 14.209 -0.579 5.730 1.00 0.00 H new ATOM 0 HE1 TYR A 640 14.807 -0.391 0.852 1.00 0.00 H new ATOM 0 HE2 TYR A 640 16.318 0.247 4.784 1.00 0.00 H new ATOM 0 HH TYR A 640 17.481 0.688 2.959 1.00 0.00 H new ATOM 902 N GLU A 641 12.041 -4.481 5.679 1.00 0.00 N ATOM 903 CA GLU A 641 12.802 -5.554 6.336 1.00 0.00 C ATOM 904 C GLU A 641 12.782 -6.832 5.490 1.00 0.00 C ATOM 905 O GLU A 641 13.822 -7.436 5.230 1.00 0.00 O ATOM 906 CB GLU A 641 12.275 -5.854 7.746 1.00 0.00 C ATOM 907 CG GLU A 641 12.769 -4.864 8.821 1.00 0.00 C ATOM 908 CD GLU A 641 12.095 -3.513 8.726 1.00 0.00 C ATOM 909 OE1 GLU A 641 10.993 -3.352 9.295 1.00 0.00 O ATOM 910 OE2 GLU A 641 12.674 -2.599 8.104 1.00 0.00 O ATOM 0 H GLU A 641 11.192 -4.193 6.166 1.00 0.00 H new ATOM 0 HA GLU A 641 13.829 -5.202 6.430 1.00 0.00 H new ATOM 0 HB2 GLU A 641 11.185 -5.840 7.727 1.00 0.00 H new ATOM 0 HB3 GLU A 641 12.576 -6.863 8.029 1.00 0.00 H new ATOM 0 HG2 GLU A 641 12.588 -5.287 9.809 1.00 0.00 H new ATOM 0 HG3 GLU A 641 13.847 -4.735 8.722 1.00 0.00 H new ATOM 917 N SER A 642 11.585 -7.238 5.077 1.00 0.00 N ATOM 918 CA SER A 642 11.399 -8.423 4.236 1.00 0.00 C ATOM 919 C SER A 642 12.022 -8.214 2.852 1.00 0.00 C ATOM 920 O SER A 642 12.570 -9.140 2.260 1.00 0.00 O ATOM 921 CB SER A 642 9.907 -8.745 4.111 1.00 0.00 C ATOM 922 OG SER A 642 9.693 -10.113 3.794 1.00 0.00 O ATOM 0 H SER A 642 10.717 -6.758 5.314 1.00 0.00 H new ATOM 0 HA SER A 642 11.904 -9.266 4.707 1.00 0.00 H new ATOM 0 HB2 SER A 642 9.402 -8.504 5.047 1.00 0.00 H new ATOM 0 HB3 SER A 642 9.462 -8.118 3.338 1.00 0.00 H new ATOM 0 HG SER A 642 10.375 -10.412 3.157 1.00 0.00 H new ATOM 928 N ALA A 643 11.891 -6.985 2.353 1.00 0.00 N ATOM 929 CA ALA A 643 12.396 -6.526 1.045 1.00 0.00 C ATOM 930 C ALA A 643 13.898 -6.733 0.827 1.00 0.00 C ATOM 931 O ALA A 643 14.503 -6.051 0.000 1.00 0.00 O ATOM 932 CB ALA A 643 12.069 -5.056 0.866 1.00 0.00 C ATOM 0 H ALA A 643 11.411 -6.245 2.866 1.00 0.00 H new ATOM 0 HA ALA A 643 11.895 -7.146 0.302 1.00 0.00 H new ATOM 0 HB1 ALA A 643 12.442 -4.715 -0.100 1.00 0.00 H new ATOM 0 HB2 ALA A 643 10.989 -4.916 0.908 1.00 0.00 H new ATOM 0 HB3 ALA A 643 12.541 -4.479 1.661 1.00 0.00 H new ATOM 938 N ASN A 644 14.496 -7.642 1.562 1.00 0.00 N ATOM 939 CA ASN A 644 15.932 -7.856 1.505 1.00 0.00 C ATOM 940 C ASN A 644 16.282 -8.700 0.264 1.00 0.00 C ATOM 941 O ASN A 644 17.313 -9.361 0.206 1.00 0.00 O ATOM 942 CB ASN A 644 16.412 -8.501 2.826 1.00 0.00 C ATOM 943 CG ASN A 644 17.944 -8.449 3.019 1.00 0.00 C ATOM 944 OD1 ASN A 644 18.716 -9.406 2.480 1.00 0.00 O flip ATOM 945 ND2 ASN A 644 18.444 -7.517 3.648 1.00 0.00 N flip ATOM 0 H ASN A 644 14.007 -8.254 2.215 1.00 0.00 H new ATOM 0 HA ASN A 644 16.456 -6.906 1.403 1.00 0.00 H new ATOM 0 HB2 ASN A 644 15.931 -7.995 3.663 1.00 0.00 H new ATOM 0 HB3 ASN A 644 16.086 -9.541 2.852 1.00 0.00 H new ATOM 0 HD21 ASN A 644 17.846 -6.796 4.053 1.00 0.00 H new ATOM 0 HD22 ASN A 644 19.456 -7.465 3.765 1.00 0.00 H new ATOM 952 N SER A 645 15.391 -8.666 -0.735 1.00 0.00 N ATOM 953 CA SER A 645 15.618 -9.292 -2.026 1.00 0.00 C ATOM 954 C SER A 645 14.680 -8.661 -3.057 1.00 0.00 C ATOM 955 O SER A 645 13.502 -8.453 -2.759 1.00 0.00 O ATOM 956 CB SER A 645 15.385 -10.806 -1.956 1.00 0.00 C ATOM 957 OG SER A 645 16.291 -11.434 -1.062 1.00 0.00 O ATOM 0 H SER A 645 14.488 -8.197 -0.661 1.00 0.00 H new ATOM 0 HA SER A 645 16.655 -9.130 -2.319 1.00 0.00 H new ATOM 0 HB2 SER A 645 14.362 -11.003 -1.636 1.00 0.00 H new ATOM 0 HB3 SER A 645 15.496 -11.238 -2.951 1.00 0.00 H new ATOM 0 HG SER A 645 16.986 -10.795 -0.798 1.00 0.00 H new ATOM 963 N ARG A 646 15.194 -8.329 -4.239 1.00 0.00 N ATOM 964 CA ARG A 646 14.419 -7.555 -5.219 1.00 0.00 C ATOM 965 C ARG A 646 13.075 -8.208 -5.541 1.00 0.00 C ATOM 966 O ARG A 646 12.026 -7.561 -5.446 1.00 0.00 O ATOM 967 CB ARG A 646 15.223 -7.378 -6.511 1.00 0.00 C ATOM 968 CG ARG A 646 16.380 -6.395 -6.400 1.00 0.00 C ATOM 969 CD ARG A 646 15.896 -4.951 -6.324 1.00 0.00 C ATOM 970 NE ARG A 646 15.123 -4.568 -7.507 1.00 0.00 N ATOM 971 CZ ARG A 646 15.010 -3.319 -7.963 1.00 0.00 C ATOM 972 NH1 ARG A 646 15.639 -2.319 -7.355 1.00 0.00 N ATOM 973 NH2 ARG A 646 14.269 -3.075 -9.039 1.00 0.00 N ATOM 0 H ARG A 646 16.135 -8.579 -4.544 1.00 0.00 H new ATOM 0 HA ARG A 646 14.218 -6.582 -4.770 1.00 0.00 H new ATOM 0 HB2 ARG A 646 15.614 -8.348 -6.817 1.00 0.00 H new ATOM 0 HB3 ARG A 646 14.551 -7.042 -7.300 1.00 0.00 H new ATOM 0 HG2 ARG A 646 16.969 -6.627 -5.513 1.00 0.00 H new ATOM 0 HG3 ARG A 646 17.039 -6.512 -7.260 1.00 0.00 H new ATOM 0 HD2 ARG A 646 15.283 -4.821 -5.432 1.00 0.00 H new ATOM 0 HD3 ARG A 646 16.754 -4.286 -6.221 1.00 0.00 H new ATOM 0 HE ARG A 646 14.638 -5.306 -8.017 1.00 0.00 H new ATOM 0 HH11 ARG A 646 16.214 -2.503 -6.533 1.00 0.00 H new ATOM 0 HH12 ARG A 646 15.547 -1.367 -7.710 1.00 0.00 H new ATOM 0 HH21 ARG A 646 13.790 -3.841 -9.512 1.00 0.00 H new ATOM 0 HH22 ARG A 646 14.180 -2.122 -9.391 1.00 0.00 H new ATOM 987 N ASP A 647 13.112 -9.490 -5.879 1.00 0.00 N ATOM 988 CA ASP A 647 11.901 -10.220 -6.248 1.00 0.00 C ATOM 989 C ASP A 647 10.923 -10.297 -5.080 1.00 0.00 C ATOM 990 O ASP A 647 9.711 -10.135 -5.261 1.00 0.00 O ATOM 991 CB ASP A 647 12.247 -11.627 -6.737 1.00 0.00 C ATOM 992 CG ASP A 647 11.014 -12.485 -6.943 1.00 0.00 C ATOM 993 OD1 ASP A 647 10.233 -12.213 -7.880 1.00 0.00 O ATOM 994 OD2 ASP A 647 10.823 -13.444 -6.167 1.00 0.00 O ATOM 0 H ASP A 647 13.966 -10.048 -5.906 1.00 0.00 H new ATOM 0 HA ASP A 647 11.420 -9.673 -7.059 1.00 0.00 H new ATOM 0 HB2 ASP A 647 12.799 -11.558 -7.674 1.00 0.00 H new ATOM 0 HB3 ASP A 647 12.905 -12.109 -6.014 1.00 0.00 H new ATOM 999 N GLU A 648 11.455 -10.530 -3.884 1.00 0.00 N ATOM 1000 CA GLU A 648 10.629 -10.635 -2.689 1.00 0.00 C ATOM 1001 C GLU A 648 9.846 -9.347 -2.470 1.00 0.00 C ATOM 1002 O GLU A 648 8.638 -9.379 -2.238 1.00 0.00 O ATOM 1003 CB GLU A 648 11.486 -10.951 -1.455 1.00 0.00 C ATOM 1004 CG GLU A 648 10.663 -11.369 -0.247 1.00 0.00 C ATOM 1005 CD GLU A 648 11.512 -11.886 0.893 1.00 0.00 C ATOM 1006 OE1 GLU A 648 12.524 -12.569 0.625 1.00 0.00 O ATOM 1007 OE2 GLU A 648 11.171 -11.617 2.064 1.00 0.00 O ATOM 0 H GLU A 648 12.454 -10.649 -3.718 1.00 0.00 H new ATOM 0 HA GLU A 648 9.925 -11.454 -2.835 1.00 0.00 H new ATOM 0 HB2 GLU A 648 12.188 -11.748 -1.702 1.00 0.00 H new ATOM 0 HB3 GLU A 648 12.078 -10.073 -1.197 1.00 0.00 H new ATOM 0 HG2 GLU A 648 10.078 -10.517 0.100 1.00 0.00 H new ATOM 0 HG3 GLU A 648 9.955 -12.142 -0.546 1.00 0.00 H new ATOM 1014 N TYR A 649 10.540 -8.218 -2.585 1.00 0.00 N ATOM 1015 CA TYR A 649 9.929 -6.911 -2.354 1.00 0.00 C ATOM 1016 C TYR A 649 8.708 -6.706 -3.246 1.00 0.00 C ATOM 1017 O TYR A 649 7.635 -6.337 -2.765 1.00 0.00 O ATOM 1018 CB TYR A 649 10.948 -5.787 -2.596 1.00 0.00 C ATOM 1019 CG TYR A 649 10.494 -4.417 -2.128 1.00 0.00 C ATOM 1020 CD1 TYR A 649 9.540 -4.272 -1.125 1.00 0.00 C ATOM 1021 CD2 TYR A 649 11.031 -3.264 -2.688 1.00 0.00 C ATOM 1022 CE1 TYR A 649 9.136 -3.025 -0.698 1.00 0.00 C ATOM 1023 CE2 TYR A 649 10.631 -2.011 -2.265 1.00 0.00 C ATOM 1024 CZ TYR A 649 9.683 -1.898 -1.270 1.00 0.00 C ATOM 1025 OH TYR A 649 9.278 -0.655 -0.845 1.00 0.00 O ATOM 0 H TYR A 649 11.528 -8.181 -2.837 1.00 0.00 H new ATOM 0 HA TYR A 649 9.604 -6.878 -1.314 1.00 0.00 H new ATOM 0 HB2 TYR A 649 11.878 -6.041 -2.088 1.00 0.00 H new ATOM 0 HB3 TYR A 649 11.170 -5.738 -3.662 1.00 0.00 H new ATOM 0 HD1 TYR A 649 9.108 -5.153 -0.673 1.00 0.00 H new ATOM 0 HD2 TYR A 649 11.774 -3.349 -3.467 1.00 0.00 H new ATOM 0 HE1 TYR A 649 8.394 -2.932 0.081 1.00 0.00 H new ATOM 0 HE2 TYR A 649 11.058 -1.125 -2.711 1.00 0.00 H new ATOM 0 HH TYR A 649 9.015 -0.701 0.098 1.00 0.00 H new ATOM 1035 N TYR A 650 8.862 -6.962 -4.542 1.00 0.00 N ATOM 1036 CA TYR A 650 7.794 -6.771 -5.488 1.00 0.00 C ATOM 1037 C TYR A 650 6.631 -7.725 -5.234 1.00 0.00 C ATOM 1038 O TYR A 650 5.470 -7.332 -5.347 1.00 0.00 O ATOM 1039 CB TYR A 650 8.340 -6.922 -6.902 1.00 0.00 C ATOM 1040 CG TYR A 650 9.017 -5.675 -7.412 1.00 0.00 C ATOM 1041 CD1 TYR A 650 8.261 -4.607 -7.874 1.00 0.00 C ATOM 1042 CD2 TYR A 650 10.401 -5.559 -7.435 1.00 0.00 C ATOM 1043 CE1 TYR A 650 8.861 -3.459 -8.343 1.00 0.00 C ATOM 1044 CE2 TYR A 650 11.010 -4.411 -7.904 1.00 0.00 C ATOM 1045 CZ TYR A 650 10.234 -3.364 -8.357 1.00 0.00 C ATOM 1046 OH TYR A 650 10.833 -2.219 -8.829 1.00 0.00 O ATOM 0 H TYR A 650 9.730 -7.305 -4.953 1.00 0.00 H new ATOM 0 HA TYR A 650 7.397 -5.763 -5.365 1.00 0.00 H new ATOM 0 HB2 TYR A 650 9.050 -7.749 -6.924 1.00 0.00 H new ATOM 0 HB3 TYR A 650 7.523 -7.185 -7.574 1.00 0.00 H new ATOM 0 HD1 TYR A 650 7.183 -4.677 -7.866 1.00 0.00 H new ATOM 0 HD2 TYR A 650 11.010 -6.378 -7.081 1.00 0.00 H new ATOM 0 HE1 TYR A 650 8.257 -2.637 -8.698 1.00 0.00 H new ATOM 0 HE2 TYR A 650 12.087 -4.334 -7.916 1.00 0.00 H new ATOM 0 HH TYR A 650 11.807 -2.311 -8.770 1.00 0.00 H new ATOM 1056 N HIS A 651 6.934 -8.969 -4.869 1.00 0.00 N ATOM 1057 CA HIS A 651 5.889 -9.966 -4.665 1.00 0.00 C ATOM 1058 C HIS A 651 5.009 -9.583 -3.487 1.00 0.00 C ATOM 1059 O HIS A 651 3.791 -9.704 -3.555 1.00 0.00 O ATOM 1060 CB HIS A 651 6.480 -11.360 -4.431 1.00 0.00 C ATOM 1061 CG HIS A 651 5.451 -12.379 -4.023 1.00 0.00 C ATOM 1062 ND1 HIS A 651 5.494 -13.050 -2.820 1.00 0.00 N ATOM 1063 CD2 HIS A 651 4.334 -12.820 -4.654 1.00 0.00 C ATOM 1064 CE1 HIS A 651 4.453 -13.855 -2.728 1.00 0.00 C ATOM 1065 NE2 HIS A 651 3.732 -13.734 -3.825 1.00 0.00 N ATOM 0 H HIS A 651 7.883 -9.307 -4.710 1.00 0.00 H new ATOM 0 HA HIS A 651 5.287 -9.996 -5.573 1.00 0.00 H new ATOM 0 HB2 HIS A 651 6.973 -11.696 -5.343 1.00 0.00 H new ATOM 0 HB3 HIS A 651 7.246 -11.298 -3.659 1.00 0.00 H new ATOM 0 HD2 HIS A 651 3.984 -12.510 -5.627 1.00 0.00 H new ATOM 0 HE1 HIS A 651 4.229 -14.504 -1.894 1.00 0.00 H new ATOM 0 HE2 HIS A 651 2.868 -14.237 -4.025 1.00 0.00 H new ATOM 1074 N LEU A 652 5.633 -9.123 -2.412 1.00 0.00 N ATOM 1075 CA LEU A 652 4.913 -8.815 -1.184 1.00 0.00 C ATOM 1076 C LEU A 652 3.863 -7.736 -1.426 1.00 0.00 C ATOM 1077 O LEU A 652 2.700 -7.891 -1.049 1.00 0.00 O ATOM 1078 CB LEU A 652 5.893 -8.363 -0.103 1.00 0.00 C ATOM 1079 CG LEU A 652 6.984 -9.374 0.256 1.00 0.00 C ATOM 1080 CD1 LEU A 652 7.956 -8.765 1.249 1.00 0.00 C ATOM 1081 CD2 LEU A 652 6.381 -10.657 0.816 1.00 0.00 C ATOM 0 H LEU A 652 6.638 -8.955 -2.365 1.00 0.00 H new ATOM 0 HA LEU A 652 4.403 -9.718 -0.849 1.00 0.00 H new ATOM 0 HB2 LEU A 652 6.370 -7.440 -0.432 1.00 0.00 H new ATOM 0 HB3 LEU A 652 5.329 -8.126 0.799 1.00 0.00 H new ATOM 0 HG LEU A 652 7.525 -9.629 -0.655 1.00 0.00 H new ATOM 0 HD11 LEU A 652 8.728 -9.494 1.497 1.00 0.00 H new ATOM 0 HD12 LEU A 652 8.419 -7.881 0.810 1.00 0.00 H new ATOM 0 HD13 LEU A 652 7.421 -8.481 2.155 1.00 0.00 H new ATOM 0 HD21 LEU A 652 7.179 -11.357 1.062 1.00 0.00 H new ATOM 0 HD22 LEU A 652 5.809 -10.428 1.715 1.00 0.00 H new ATOM 0 HD23 LEU A 652 5.723 -11.105 0.072 1.00 0.00 H new ATOM 1093 N LEU A 653 4.280 -6.651 -2.067 1.00 0.00 N ATOM 1094 CA LEU A 653 3.373 -5.560 -2.398 1.00 0.00 C ATOM 1095 C LEU A 653 2.304 -6.012 -3.389 1.00 0.00 C ATOM 1096 O LEU A 653 1.115 -5.781 -3.168 1.00 0.00 O ATOM 1097 CB LEU A 653 4.156 -4.369 -2.954 1.00 0.00 C ATOM 1098 CG LEU A 653 5.010 -3.629 -1.927 1.00 0.00 C ATOM 1099 CD1 LEU A 653 6.247 -3.066 -2.591 1.00 0.00 C ATOM 1100 CD2 LEU A 653 4.212 -2.510 -1.274 1.00 0.00 C ATOM 0 H LEU A 653 5.243 -6.503 -2.368 1.00 0.00 H new ATOM 0 HA LEU A 653 2.868 -5.250 -1.483 1.00 0.00 H new ATOM 0 HB2 LEU A 653 4.803 -4.721 -3.758 1.00 0.00 H new ATOM 0 HB3 LEU A 653 3.452 -3.664 -3.396 1.00 0.00 H new ATOM 0 HG LEU A 653 5.311 -4.335 -1.153 1.00 0.00 H new ATOM 0 HD11 LEU A 653 6.850 -2.540 -1.851 1.00 0.00 H new ATOM 0 HD12 LEU A 653 6.830 -3.879 -3.023 1.00 0.00 H new ATOM 0 HD13 LEU A 653 5.953 -2.372 -3.379 1.00 0.00 H new ATOM 0 HD21 LEU A 653 4.838 -1.994 -0.545 1.00 0.00 H new ATOM 0 HD22 LEU A 653 3.885 -1.803 -2.037 1.00 0.00 H new ATOM 0 HD23 LEU A 653 3.341 -2.930 -0.772 1.00 0.00 H new ATOM 1112 N ALA A 654 2.723 -6.673 -4.470 1.00 0.00 N ATOM 1113 CA ALA A 654 1.790 -7.142 -5.492 1.00 0.00 C ATOM 1114 C ALA A 654 0.766 -8.121 -4.918 1.00 0.00 C ATOM 1115 O ALA A 654 -0.424 -8.046 -5.233 1.00 0.00 O ATOM 1116 CB ALA A 654 2.549 -7.790 -6.639 1.00 0.00 C ATOM 0 H ALA A 654 3.701 -6.894 -4.659 1.00 0.00 H new ATOM 0 HA ALA A 654 1.246 -6.274 -5.865 1.00 0.00 H new ATOM 0 HB1 ALA A 654 1.842 -8.135 -7.394 1.00 0.00 H new ATOM 0 HB2 ALA A 654 3.228 -7.062 -7.083 1.00 0.00 H new ATOM 0 HB3 ALA A 654 3.122 -8.638 -6.263 1.00 0.00 H new ATOM 1122 N GLU A 655 1.239 -9.036 -4.078 1.00 0.00 N ATOM 1123 CA GLU A 655 0.363 -10.023 -3.445 1.00 0.00 C ATOM 1124 C GLU A 655 -0.643 -9.326 -2.536 1.00 0.00 C ATOM 1125 O GLU A 655 -1.828 -9.664 -2.533 1.00 0.00 O ATOM 1126 CB GLU A 655 1.169 -11.076 -2.662 1.00 0.00 C ATOM 1127 CG GLU A 655 0.343 -11.894 -1.684 1.00 0.00 C ATOM 1128 CD GLU A 655 1.139 -13.034 -1.091 1.00 0.00 C ATOM 1129 OE1 GLU A 655 1.932 -12.788 -0.164 1.00 0.00 O ATOM 1130 OE2 GLU A 655 0.983 -14.183 -1.559 1.00 0.00 O ATOM 0 H GLU A 655 2.222 -9.117 -3.818 1.00 0.00 H new ATOM 0 HA GLU A 655 -0.178 -10.548 -4.232 1.00 0.00 H new ATOM 0 HB2 GLU A 655 1.646 -11.752 -3.371 1.00 0.00 H new ATOM 0 HB3 GLU A 655 1.966 -10.573 -2.115 1.00 0.00 H new ATOM 0 HG2 GLU A 655 -0.017 -11.248 -0.884 1.00 0.00 H new ATOM 0 HG3 GLU A 655 -0.535 -12.291 -2.193 1.00 0.00 H new ATOM 1137 N LYS A 656 -0.167 -8.333 -1.790 1.00 0.00 N ATOM 1138 CA LYS A 656 -1.032 -7.556 -0.910 1.00 0.00 C ATOM 1139 C LYS A 656 -2.124 -6.843 -1.709 1.00 0.00 C ATOM 1140 O LYS A 656 -3.294 -6.844 -1.320 1.00 0.00 O ATOM 1141 CB LYS A 656 -0.213 -6.527 -0.122 1.00 0.00 C ATOM 1142 CG LYS A 656 -1.075 -5.604 0.720 1.00 0.00 C ATOM 1143 CD LYS A 656 -0.277 -4.479 1.360 1.00 0.00 C ATOM 1144 CE LYS A 656 0.616 -4.976 2.484 1.00 0.00 C ATOM 1145 NZ LYS A 656 -0.156 -5.535 3.620 1.00 0.00 N ATOM 0 H LYS A 656 0.812 -8.048 -1.778 1.00 0.00 H new ATOM 0 HA LYS A 656 -1.504 -8.246 -0.211 1.00 0.00 H new ATOM 0 HB2 LYS A 656 0.491 -7.050 0.526 1.00 0.00 H new ATOM 0 HB3 LYS A 656 0.377 -5.930 -0.818 1.00 0.00 H new ATOM 0 HG2 LYS A 656 -1.861 -5.178 0.096 1.00 0.00 H new ATOM 0 HG3 LYS A 656 -1.567 -6.184 1.500 1.00 0.00 H new ATOM 0 HD2 LYS A 656 0.335 -3.992 0.601 1.00 0.00 H new ATOM 0 HD3 LYS A 656 -0.962 -3.725 1.749 1.00 0.00 H new ATOM 0 HE2 LYS A 656 1.290 -5.740 2.097 1.00 0.00 H new ATOM 0 HE3 LYS A 656 1.237 -4.154 2.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 656 0.450 -5.576 4.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 656 -0.979 -4.928 3.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 656 -0.481 -6.493 3.381 1.00 0.00 H new ATOM 1159 N ILE A 657 -1.735 -6.243 -2.830 1.00 0.00 N ATOM 1160 CA ILE A 657 -2.671 -5.500 -3.669 1.00 0.00 C ATOM 1161 C ILE A 657 -3.740 -6.424 -4.248 1.00 0.00 C ATOM 1162 O ILE A 657 -4.922 -6.081 -4.261 1.00 0.00 O ATOM 1163 CB ILE A 657 -1.934 -4.760 -4.814 1.00 0.00 C ATOM 1164 CG1 ILE A 657 -0.975 -3.715 -4.232 1.00 0.00 C ATOM 1165 CG2 ILE A 657 -2.931 -4.097 -5.759 1.00 0.00 C ATOM 1166 CD1 ILE A 657 -0.155 -2.984 -5.273 1.00 0.00 C ATOM 0 H ILE A 657 -0.777 -6.257 -3.179 1.00 0.00 H new ATOM 0 HA ILE A 657 -3.157 -4.758 -3.035 1.00 0.00 H new ATOM 0 HB ILE A 657 -1.359 -5.490 -5.384 1.00 0.00 H new ATOM 0 HG12 ILE A 657 -1.551 -2.987 -3.661 1.00 0.00 H new ATOM 0 HG13 ILE A 657 -0.300 -4.207 -3.532 1.00 0.00 H new ATOM 0 HG21 ILE A 657 -2.392 -3.583 -6.555 1.00 0.00 H new ATOM 0 HG22 ILE A 657 -3.581 -4.856 -6.193 1.00 0.00 H new ATOM 0 HG23 ILE A 657 -3.533 -3.377 -5.205 1.00 0.00 H new ATOM 0 HD11 ILE A 657 0.498 -2.263 -4.781 1.00 0.00 H new ATOM 0 HD12 ILE A 657 0.450 -3.701 -5.829 1.00 0.00 H new ATOM 0 HD13 ILE A 657 -0.821 -2.462 -5.960 1.00 0.00 H new ATOM 1178 N TYR A 658 -3.329 -7.604 -4.703 1.00 0.00 N ATOM 1179 CA TYR A 658 -4.274 -8.574 -5.263 1.00 0.00 C ATOM 1180 C TYR A 658 -5.293 -8.987 -4.200 1.00 0.00 C ATOM 1181 O TYR A 658 -6.473 -9.172 -4.503 1.00 0.00 O ATOM 1182 CB TYR A 658 -3.555 -9.810 -5.838 1.00 0.00 C ATOM 1183 CG TYR A 658 -4.390 -10.620 -6.820 1.00 0.00 C ATOM 1184 CD1 TYR A 658 -5.168 -9.996 -7.792 1.00 0.00 C ATOM 1185 CD2 TYR A 658 -4.396 -12.014 -6.778 1.00 0.00 C ATOM 1186 CE1 TYR A 658 -5.923 -10.733 -8.684 1.00 0.00 C ATOM 1187 CE2 TYR A 658 -5.150 -12.752 -7.669 1.00 0.00 C ATOM 1188 CZ TYR A 658 -5.911 -12.108 -8.618 1.00 0.00 C ATOM 1189 OH TYR A 658 -6.661 -12.846 -9.508 1.00 0.00 O ATOM 0 H TYR A 658 -2.357 -7.913 -4.697 1.00 0.00 H new ATOM 0 HA TYR A 658 -4.797 -8.093 -6.090 1.00 0.00 H new ATOM 0 HB2 TYR A 658 -2.642 -9.485 -6.337 1.00 0.00 H new ATOM 0 HB3 TYR A 658 -3.255 -10.457 -5.014 1.00 0.00 H new ATOM 0 HD1 TYR A 658 -5.181 -8.918 -7.849 1.00 0.00 H new ATOM 0 HD2 TYR A 658 -3.801 -12.525 -6.036 1.00 0.00 H new ATOM 0 HE1 TYR A 658 -6.521 -10.232 -9.431 1.00 0.00 H new ATOM 0 HE2 TYR A 658 -5.143 -13.831 -7.621 1.00 0.00 H new ATOM 0 HH TYR A 658 -6.539 -13.801 -9.325 1.00 0.00 H new ATOM 1199 N LYS A 659 -4.835 -9.129 -2.951 1.00 0.00 N ATOM 1200 CA LYS A 659 -5.730 -9.471 -1.854 1.00 0.00 C ATOM 1201 C LYS A 659 -6.817 -8.417 -1.712 1.00 0.00 C ATOM 1202 O LYS A 659 -8.000 -8.742 -1.613 1.00 0.00 O ATOM 1203 CB LYS A 659 -4.966 -9.599 -0.537 1.00 0.00 C ATOM 1204 CG LYS A 659 -3.970 -10.744 -0.507 1.00 0.00 C ATOM 1205 CD LYS A 659 -4.650 -12.083 -0.715 1.00 0.00 C ATOM 1206 CE LYS A 659 -3.671 -13.223 -0.527 1.00 0.00 C ATOM 1207 NZ LYS A 659 -4.281 -14.544 -0.829 1.00 0.00 N ATOM 0 H LYS A 659 -3.858 -9.012 -2.682 1.00 0.00 H new ATOM 0 HA LYS A 659 -6.186 -10.434 -2.085 1.00 0.00 H new ATOM 0 HB2 LYS A 659 -4.437 -8.666 -0.344 1.00 0.00 H new ATOM 0 HB3 LYS A 659 -5.682 -9.733 0.274 1.00 0.00 H new ATOM 0 HG2 LYS A 659 -3.218 -10.593 -1.282 1.00 0.00 H new ATOM 0 HG3 LYS A 659 -3.446 -10.746 0.449 1.00 0.00 H new ATOM 0 HD2 LYS A 659 -5.476 -12.189 -0.012 1.00 0.00 H new ATOM 0 HD3 LYS A 659 -5.077 -12.127 -1.717 1.00 0.00 H new ATOM 0 HE2 LYS A 659 -2.807 -13.068 -1.173 1.00 0.00 H new ATOM 0 HE3 LYS A 659 -3.306 -13.220 0.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 659 -3.574 -15.293 -0.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 659 -5.090 -14.706 -0.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 659 -4.607 -14.558 -1.817 1.00 0.00 H new ATOM 1221 N ILE A 660 -6.407 -7.153 -1.720 1.00 0.00 N ATOM 1222 CA ILE A 660 -7.345 -6.040 -1.642 1.00 0.00 C ATOM 1223 C ILE A 660 -8.291 -6.045 -2.841 1.00 0.00 C ATOM 1224 O ILE A 660 -9.481 -5.760 -2.701 1.00 0.00 O ATOM 1225 CB ILE A 660 -6.624 -4.670 -1.488 1.00 0.00 C ATOM 1226 CG1 ILE A 660 -6.864 -4.136 -0.081 1.00 0.00 C ATOM 1227 CG2 ILE A 660 -7.084 -3.639 -2.522 1.00 0.00 C ATOM 1228 CD1 ILE A 660 -6.180 -2.816 0.189 1.00 0.00 C ATOM 0 H ILE A 660 -5.428 -6.874 -1.780 1.00 0.00 H new ATOM 0 HA ILE A 660 -7.940 -6.179 -0.739 1.00 0.00 H new ATOM 0 HB ILE A 660 -5.560 -4.835 -1.660 1.00 0.00 H new ATOM 0 HG12 ILE A 660 -7.936 -4.019 0.076 1.00 0.00 H new ATOM 0 HG13 ILE A 660 -6.514 -4.872 0.643 1.00 0.00 H new ATOM 0 HG21 ILE A 660 -6.547 -2.703 -2.366 1.00 0.00 H new ATOM 0 HG22 ILE A 660 -6.878 -4.013 -3.525 1.00 0.00 H new ATOM 0 HG23 ILE A 660 -8.155 -3.466 -2.412 1.00 0.00 H new ATOM 0 HD11 ILE A 660 -6.395 -2.497 1.209 1.00 0.00 H new ATOM 0 HD12 ILE A 660 -5.103 -2.932 0.064 1.00 0.00 H new ATOM 0 HD13 ILE A 660 -6.548 -2.066 -0.511 1.00 0.00 H new ATOM 1240 N GLN A 661 -7.764 -6.402 -4.009 1.00 0.00 N ATOM 1241 CA GLN A 661 -8.564 -6.386 -5.235 1.00 0.00 C ATOM 1242 C GLN A 661 -9.679 -7.419 -5.130 1.00 0.00 C ATOM 1243 O GLN A 661 -10.828 -7.154 -5.491 1.00 0.00 O ATOM 1244 CB GLN A 661 -7.709 -6.641 -6.493 1.00 0.00 C ATOM 1245 CG GLN A 661 -6.729 -5.506 -6.812 1.00 0.00 C ATOM 1246 CD GLN A 661 -5.848 -5.805 -8.009 1.00 0.00 C ATOM 1247 OE1 GLN A 661 -5.517 -6.957 -8.283 1.00 0.00 O ATOM 1248 NE2 GLN A 661 -5.458 -4.766 -8.731 1.00 0.00 N ATOM 0 H GLN A 661 -6.798 -6.703 -4.135 1.00 0.00 H new ATOM 0 HA GLN A 661 -8.994 -5.390 -5.341 1.00 0.00 H new ATOM 0 HB2 GLN A 661 -7.149 -7.566 -6.359 1.00 0.00 H new ATOM 0 HB3 GLN A 661 -8.370 -6.789 -7.347 1.00 0.00 H new ATOM 0 HG2 GLN A 661 -7.290 -4.591 -7.000 1.00 0.00 H new ATOM 0 HG3 GLN A 661 -6.100 -5.321 -5.941 1.00 0.00 H new ATOM 0 HE21 GLN A 661 -5.754 -3.825 -8.472 1.00 0.00 H new ATOM 0 HE22 GLN A 661 -4.862 -4.907 -9.547 1.00 0.00 H new ATOM 1257 N LYS A 662 -9.330 -8.592 -4.605 1.00 0.00 N ATOM 1258 CA LYS A 662 -10.294 -9.659 -4.386 1.00 0.00 C ATOM 1259 C LYS A 662 -11.318 -9.257 -3.326 1.00 0.00 C ATOM 1260 O LYS A 662 -12.510 -9.537 -3.463 1.00 0.00 O ATOM 1261 CB LYS A 662 -9.578 -10.954 -3.981 1.00 0.00 C ATOM 1262 CG LYS A 662 -10.515 -12.126 -3.702 1.00 0.00 C ATOM 1263 CD LYS A 662 -11.422 -12.438 -4.888 1.00 0.00 C ATOM 1264 CE LYS A 662 -10.629 -12.837 -6.123 1.00 0.00 C ATOM 1265 NZ LYS A 662 -11.514 -13.134 -7.281 1.00 0.00 N ATOM 0 H LYS A 662 -8.378 -8.825 -4.323 1.00 0.00 H new ATOM 0 HA LYS A 662 -10.826 -9.836 -5.321 1.00 0.00 H new ATOM 0 HB2 LYS A 662 -8.887 -11.237 -4.775 1.00 0.00 H new ATOM 0 HB3 LYS A 662 -8.980 -10.762 -3.090 1.00 0.00 H new ATOM 0 HG2 LYS A 662 -9.925 -13.009 -3.456 1.00 0.00 H new ATOM 0 HG3 LYS A 662 -11.127 -11.899 -2.829 1.00 0.00 H new ATOM 0 HD2 LYS A 662 -12.105 -13.244 -4.620 1.00 0.00 H new ATOM 0 HD3 LYS A 662 -12.033 -11.565 -5.116 1.00 0.00 H new ATOM 0 HE2 LYS A 662 -9.942 -12.033 -6.388 1.00 0.00 H new ATOM 0 HE3 LYS A 662 -10.022 -13.713 -5.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 662 -10.970 -13.052 -8.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 662 -11.888 -14.101 -7.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 662 -12.304 -12.458 -7.297 1.00 0.00 H new ATOM 1279 N GLU A 663 -10.855 -8.599 -2.269 1.00 0.00 N ATOM 1280 CA GLU A 663 -11.741 -8.175 -1.193 1.00 0.00 C ATOM 1281 C GLU A 663 -12.784 -7.187 -1.698 1.00 0.00 C ATOM 1282 O GLU A 663 -13.958 -7.293 -1.349 1.00 0.00 O ATOM 1283 CB GLU A 663 -10.949 -7.545 -0.049 1.00 0.00 C ATOM 1284 CG GLU A 663 -10.103 -8.535 0.736 1.00 0.00 C ATOM 1285 CD GLU A 663 -10.946 -9.559 1.468 1.00 0.00 C ATOM 1286 OE1 GLU A 663 -11.820 -9.149 2.263 1.00 0.00 O ATOM 1287 OE2 GLU A 663 -10.753 -10.773 1.244 1.00 0.00 O ATOM 0 H GLU A 663 -9.875 -8.349 -2.135 1.00 0.00 H new ATOM 0 HA GLU A 663 -12.251 -9.064 -0.822 1.00 0.00 H new ATOM 0 HB2 GLU A 663 -10.300 -6.769 -0.454 1.00 0.00 H new ATOM 0 HB3 GLU A 663 -11.643 -7.055 0.633 1.00 0.00 H new ATOM 0 HG2 GLU A 663 -9.423 -9.047 0.056 1.00 0.00 H new ATOM 0 HG3 GLU A 663 -9.488 -7.994 1.455 1.00 0.00 H new ATOM 1294 N LEU A 664 -12.352 -6.233 -2.517 1.00 0.00 N ATOM 1295 CA LEU A 664 -13.249 -5.207 -3.043 1.00 0.00 C ATOM 1296 C LEU A 664 -14.365 -5.826 -3.880 1.00 0.00 C ATOM 1297 O LEU A 664 -15.541 -5.521 -3.674 1.00 0.00 O ATOM 1298 CB LEU A 664 -12.473 -4.183 -3.878 1.00 0.00 C ATOM 1299 CG LEU A 664 -11.388 -3.413 -3.128 1.00 0.00 C ATOM 1300 CD1 LEU A 664 -10.574 -2.574 -4.099 1.00 0.00 C ATOM 1301 CD2 LEU A 664 -12.006 -2.534 -2.052 1.00 0.00 C ATOM 0 H LEU A 664 -11.385 -6.148 -2.832 1.00 0.00 H new ATOM 0 HA LEU A 664 -13.701 -4.697 -2.192 1.00 0.00 H new ATOM 0 HB2 LEU A 664 -12.012 -4.700 -4.719 1.00 0.00 H new ATOM 0 HB3 LEU A 664 -13.182 -3.467 -4.294 1.00 0.00 H new ATOM 0 HG LEU A 664 -10.723 -4.129 -2.645 1.00 0.00 H new ATOM 0 HD11 LEU A 664 -9.804 -2.030 -3.552 1.00 0.00 H new ATOM 0 HD12 LEU A 664 -10.104 -3.225 -4.837 1.00 0.00 H new ATOM 0 HD13 LEU A 664 -11.229 -1.865 -4.605 1.00 0.00 H new ATOM 0 HD21 LEU A 664 -11.218 -1.993 -1.528 1.00 0.00 H new ATOM 0 HD22 LEU A 664 -12.691 -1.822 -2.513 1.00 0.00 H new ATOM 0 HD23 LEU A 664 -12.552 -3.156 -1.343 1.00 0.00 H new ATOM 1313 N GLU A 665 -14.003 -6.709 -4.809 1.00 0.00 N ATOM 1314 CA GLU A 665 -14.994 -7.345 -5.666 1.00 0.00 C ATOM 1315 C GLU A 665 -15.918 -8.232 -4.839 1.00 0.00 C ATOM 1316 O GLU A 665 -17.121 -8.276 -5.082 1.00 0.00 O ATOM 1317 CB GLU A 665 -14.335 -8.136 -6.802 1.00 0.00 C ATOM 1318 CG GLU A 665 -13.322 -9.165 -6.340 1.00 0.00 C ATOM 1319 CD GLU A 665 -12.733 -9.955 -7.486 1.00 0.00 C ATOM 1320 OE1 GLU A 665 -11.797 -9.456 -8.144 1.00 0.00 O ATOM 1321 OE2 GLU A 665 -13.196 -11.088 -7.730 1.00 0.00 O ATOM 0 H GLU A 665 -13.040 -6.996 -4.984 1.00 0.00 H new ATOM 0 HA GLU A 665 -15.593 -6.560 -6.129 1.00 0.00 H new ATOM 0 HB2 GLU A 665 -15.112 -8.641 -7.376 1.00 0.00 H new ATOM 0 HB3 GLU A 665 -13.843 -7.437 -7.478 1.00 0.00 H new ATOM 0 HG2 GLU A 665 -12.520 -8.663 -5.800 1.00 0.00 H new ATOM 0 HG3 GLU A 665 -13.799 -9.850 -5.639 1.00 0.00 H new ATOM 1328 N GLU A 666 -15.348 -8.925 -3.855 1.00 0.00 N ATOM 1329 CA GLU A 666 -16.121 -9.776 -2.957 1.00 0.00 C ATOM 1330 C GLU A 666 -17.225 -8.980 -2.263 1.00 0.00 C ATOM 1331 O GLU A 666 -18.349 -9.458 -2.117 1.00 0.00 O ATOM 1332 CB GLU A 666 -15.213 -10.402 -1.898 1.00 0.00 C ATOM 1333 CG GLU A 666 -15.963 -11.248 -0.884 1.00 0.00 C ATOM 1334 CD GLU A 666 -15.141 -11.536 0.349 1.00 0.00 C ATOM 1335 OE1 GLU A 666 -15.021 -10.637 1.206 1.00 0.00 O ATOM 1336 OE2 GLU A 666 -14.608 -12.656 0.468 1.00 0.00 O ATOM 0 H GLU A 666 -14.347 -8.912 -3.660 1.00 0.00 H new ATOM 0 HA GLU A 666 -16.575 -10.563 -3.559 1.00 0.00 H new ATOM 0 HB2 GLU A 666 -14.463 -11.020 -2.392 1.00 0.00 H new ATOM 0 HB3 GLU A 666 -14.678 -9.610 -1.374 1.00 0.00 H new ATOM 0 HG2 GLU A 666 -16.880 -10.734 -0.594 1.00 0.00 H new ATOM 0 HG3 GLU A 666 -16.258 -12.189 -1.348 1.00 0.00 H new ATOM 1343 N LYS A 667 -16.898 -7.766 -1.839 1.00 0.00 N ATOM 1344 CA LYS A 667 -17.857 -6.917 -1.141 1.00 0.00 C ATOM 1345 C LYS A 667 -19.016 -6.551 -2.062 1.00 0.00 C ATOM 1346 O LYS A 667 -20.174 -6.590 -1.651 1.00 0.00 O ATOM 1347 CB LYS A 667 -17.183 -5.640 -0.609 1.00 0.00 C ATOM 1348 CG LYS A 667 -15.969 -5.874 0.292 1.00 0.00 C ATOM 1349 CD LYS A 667 -16.283 -6.847 1.421 1.00 0.00 C ATOM 1350 CE LYS A 667 -15.033 -7.228 2.198 1.00 0.00 C ATOM 1351 NZ LYS A 667 -14.156 -8.149 1.425 1.00 0.00 N ATOM 0 H LYS A 667 -15.977 -7.347 -1.966 1.00 0.00 H new ATOM 0 HA LYS A 667 -18.244 -7.480 -0.291 1.00 0.00 H new ATOM 0 HB2 LYS A 667 -16.874 -5.030 -1.458 1.00 0.00 H new ATOM 0 HB3 LYS A 667 -17.922 -5.062 -0.054 1.00 0.00 H new ATOM 0 HG2 LYS A 667 -15.143 -6.263 -0.304 1.00 0.00 H new ATOM 0 HG3 LYS A 667 -15.639 -4.924 0.712 1.00 0.00 H new ATOM 0 HD2 LYS A 667 -17.009 -6.397 2.098 1.00 0.00 H new ATOM 0 HD3 LYS A 667 -16.744 -7.745 1.010 1.00 0.00 H new ATOM 0 HE2 LYS A 667 -14.476 -6.327 2.454 1.00 0.00 H new ATOM 0 HE3 LYS A 667 -15.320 -7.703 3.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 -13.225 -8.210 1.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 -14.589 -9.094 1.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 -14.040 -7.787 0.457 1.00 0.00 H new ATOM 1365 N ARG A 668 -18.711 -6.226 -3.316 1.00 0.00 N ATOM 1366 CA ARG A 668 -19.746 -5.857 -4.268 1.00 0.00 C ATOM 1367 C ARG A 668 -20.496 -7.084 -4.749 1.00 0.00 C ATOM 1368 O ARG A 668 -21.625 -7.010 -5.232 1.00 0.00 O ATOM 1369 CB ARG A 668 -19.151 -5.084 -5.448 1.00 0.00 C ATOM 1370 CG ARG A 668 -18.482 -3.778 -5.045 1.00 0.00 C ATOM 1371 CD ARG A 668 -17.954 -3.021 -6.253 1.00 0.00 C ATOM 1372 NE ARG A 668 -17.306 -1.766 -5.872 1.00 0.00 N ATOM 1373 CZ ARG A 668 -16.955 -0.814 -6.738 1.00 0.00 C ATOM 1374 NH1 ARG A 668 -17.186 -0.972 -8.035 1.00 0.00 N ATOM 1375 NH2 ARG A 668 -16.371 0.298 -6.303 1.00 0.00 N ATOM 0 H ARG A 668 -17.762 -6.212 -3.691 1.00 0.00 H new ATOM 0 HA ARG A 668 -20.456 -5.203 -3.761 1.00 0.00 H new ATOM 0 HB2 ARG A 668 -18.421 -5.715 -5.954 1.00 0.00 H new ATOM 0 HB3 ARG A 668 -19.941 -4.871 -6.168 1.00 0.00 H new ATOM 0 HG2 ARG A 668 -19.196 -3.154 -4.508 1.00 0.00 H new ATOM 0 HG3 ARG A 668 -17.661 -3.986 -4.359 1.00 0.00 H new ATOM 0 HD2 ARG A 668 -17.243 -3.648 -6.791 1.00 0.00 H new ATOM 0 HD3 ARG A 668 -18.776 -2.812 -6.937 1.00 0.00 H new ATOM 0 HE ARG A 668 -17.111 -1.609 -4.883 1.00 0.00 H new ATOM 0 HH11 ARG A 668 -17.634 -1.824 -8.373 1.00 0.00 H new ATOM 0 HH12 ARG A 668 -16.916 -0.242 -8.694 1.00 0.00 H new ATOM 0 HH21 ARG A 668 -16.191 0.423 -5.307 1.00 0.00 H new ATOM 0 HH22 ARG A 668 -16.103 1.026 -6.965 1.00 0.00 H new ATOM 1389 N ARG A 669 -19.843 -8.204 -4.594 1.00 0.00 N ATOM 1390 CA ARG A 669 -20.413 -9.508 -4.910 1.00 0.00 C ATOM 1391 C ARG A 669 -21.417 -9.915 -3.841 1.00 0.00 C ATOM 1392 O ARG A 669 -22.420 -10.567 -4.129 1.00 0.00 O ATOM 1393 CB ARG A 669 -19.294 -10.550 -4.999 1.00 0.00 C ATOM 1394 CG ARG A 669 -19.748 -11.965 -5.346 1.00 0.00 C ATOM 1395 CD ARG A 669 -20.364 -12.052 -6.736 1.00 0.00 C ATOM 1396 NE ARG A 669 -21.753 -11.597 -6.759 1.00 0.00 N ATOM 1397 CZ ARG A 669 -22.458 -11.396 -7.872 1.00 0.00 C ATOM 1398 NH1 ARG A 669 -21.902 -11.580 -9.065 1.00 0.00 N ATOM 1399 NH2 ARG A 669 -23.724 -11.014 -7.787 1.00 0.00 N ATOM 0 H ARG A 669 -18.887 -8.249 -4.241 1.00 0.00 H new ATOM 0 HA ARG A 669 -20.928 -9.449 -5.869 1.00 0.00 H new ATOM 0 HB2 ARG A 669 -18.574 -10.223 -5.749 1.00 0.00 H new ATOM 0 HB3 ARG A 669 -18.769 -10.578 -4.044 1.00 0.00 H new ATOM 0 HG2 ARG A 669 -18.896 -12.642 -5.286 1.00 0.00 H new ATOM 0 HG3 ARG A 669 -20.475 -12.302 -4.607 1.00 0.00 H new ATOM 0 HD2 ARG A 669 -19.776 -11.451 -7.429 1.00 0.00 H new ATOM 0 HD3 ARG A 669 -20.316 -13.083 -7.088 1.00 0.00 H new ATOM 0 HE ARG A 669 -22.212 -11.422 -5.865 1.00 0.00 H new ATOM 0 HH11 ARG A 669 -20.929 -11.877 -9.134 1.00 0.00 H new ATOM 0 HH12 ARG A 669 -22.449 -11.424 -9.912 1.00 0.00 H new ATOM 0 HH21 ARG A 669 -24.155 -10.875 -6.873 1.00 0.00 H new ATOM 0 HH22 ARG A 669 -24.268 -10.859 -8.636 1.00 0.00 H new ATOM 1413 N SER A 670 -21.154 -9.493 -2.615 1.00 0.00 N ATOM 1414 CA SER A 670 -21.995 -9.848 -1.483 1.00 0.00 C ATOM 1415 C SER A 670 -23.009 -8.738 -1.216 1.00 0.00 C ATOM 1416 O SER A 670 -23.833 -8.831 -0.302 1.00 0.00 O ATOM 1417 CB SER A 670 -21.126 -10.078 -0.247 1.00 0.00 C ATOM 1418 OG SER A 670 -20.047 -10.953 -0.542 1.00 0.00 O ATOM 0 H SER A 670 -20.359 -8.900 -2.377 1.00 0.00 H new ATOM 0 HA SER A 670 -22.535 -10.766 -1.713 1.00 0.00 H new ATOM 0 HB2 SER A 670 -20.739 -9.125 0.113 1.00 0.00 H new ATOM 0 HB3 SER A 670 -21.732 -10.499 0.555 1.00 0.00 H new ATOM 0 HG SER A 670 -19.387 -10.484 -1.094 1.00 0.00 H new ATOM 1424 N ARG A 671 -22.917 -7.681 -2.015 1.00 0.00 N ATOM 1425 CA ARG A 671 -23.832 -6.553 -1.935 1.00 0.00 C ATOM 1426 C ARG A 671 -25.270 -7.020 -2.142 1.00 0.00 C ATOM 1427 O ARG A 671 -25.513 -8.036 -2.793 1.00 0.00 O ATOM 1428 CB ARG A 671 -23.463 -5.511 -2.994 1.00 0.00 C ATOM 1429 CG ARG A 671 -24.245 -4.211 -2.893 1.00 0.00 C ATOM 1430 CD ARG A 671 -24.757 -3.769 -4.252 1.00 0.00 C ATOM 1431 NE ARG A 671 -25.802 -4.664 -4.751 1.00 0.00 N ATOM 1432 CZ ARG A 671 -25.738 -5.334 -5.901 1.00 0.00 C ATOM 1433 NH1 ARG A 671 -24.680 -5.210 -6.698 1.00 0.00 N ATOM 1434 NH2 ARG A 671 -26.738 -6.133 -6.254 1.00 0.00 N ATOM 0 H ARG A 671 -22.204 -7.584 -2.737 1.00 0.00 H new ATOM 0 HA ARG A 671 -23.751 -6.103 -0.945 1.00 0.00 H new ATOM 0 HB2 ARG A 671 -22.399 -5.288 -2.912 1.00 0.00 H new ATOM 0 HB3 ARG A 671 -23.624 -5.942 -3.982 1.00 0.00 H new ATOM 0 HG2 ARG A 671 -25.085 -4.341 -2.210 1.00 0.00 H new ATOM 0 HG3 ARG A 671 -23.609 -3.433 -2.471 1.00 0.00 H new ATOM 0 HD2 ARG A 671 -25.149 -2.754 -4.181 1.00 0.00 H new ATOM 0 HD3 ARG A 671 -23.930 -3.742 -4.962 1.00 0.00 H new ATOM 0 HE ARG A 671 -26.638 -4.783 -4.178 1.00 0.00 H new ATOM 0 HH11 ARG A 671 -23.909 -4.598 -6.431 1.00 0.00 H new ATOM 0 HH12 ARG A 671 -24.640 -5.727 -7.576 1.00 0.00 H new ATOM 0 HH21 ARG A 671 -27.551 -6.232 -5.646 1.00 0.00 H new ATOM 0 HH22 ARG A 671 -26.693 -6.648 -7.133 1.00 0.00 H new ATOM 1448 N LEU A 672 -26.214 -6.279 -1.592 1.00 0.00 N ATOM 1449 CA LEU A 672 -27.619 -6.611 -1.733 1.00 0.00 C ATOM 1450 C LEU A 672 -28.160 -5.974 -3.004 1.00 0.00 C ATOM 1451 O LEU A 672 -28.317 -6.688 -4.013 1.00 0.00 O ATOM 1452 CB LEU A 672 -28.407 -6.126 -0.507 1.00 0.00 C ATOM 1453 CG LEU A 672 -27.974 -6.737 0.828 1.00 0.00 C ATOM 1454 CD1 LEU A 672 -28.804 -6.170 1.968 1.00 0.00 C ATOM 1455 CD2 LEU A 672 -28.089 -8.253 0.787 1.00 0.00 C ATOM 1456 OXT LEU A 672 -28.367 -4.742 -3.007 1.00 0.00 O ATOM 0 H LEU A 672 -26.032 -5.440 -1.041 1.00 0.00 H new ATOM 0 HA LEU A 672 -27.731 -7.693 -1.800 1.00 0.00 H new ATOM 0 HB2 LEU A 672 -28.313 -5.042 -0.440 1.00 0.00 H new ATOM 0 HB3 LEU A 672 -29.463 -6.345 -0.663 1.00 0.00 H new ATOM 0 HG LEU A 672 -26.929 -6.478 1.000 1.00 0.00 H new ATOM 0 HD11 LEU A 672 -28.482 -6.616 2.909 1.00 0.00 H new ATOM 0 HD12 LEU A 672 -28.669 -5.089 2.014 1.00 0.00 H new ATOM 0 HD13 LEU A 672 -29.857 -6.398 1.800 1.00 0.00 H new ATOM 0 HD21 LEU A 672 -27.777 -8.668 1.745 1.00 0.00 H new ATOM 0 HD22 LEU A 672 -29.123 -8.534 0.590 1.00 0.00 H new ATOM 0 HD23 LEU A 672 -27.449 -8.645 -0.004 1.00 0.00 H new TER 1468 LEU A 672 ATOM 1469 N ASP B 840 4.904 -11.009 8.121 1.00 0.00 N ATOM 1470 CA ASP B 840 5.375 -11.325 6.774 1.00 0.00 C ATOM 1471 C ASP B 840 4.583 -10.560 5.727 1.00 0.00 C ATOM 1472 O ASP B 840 3.757 -11.133 5.016 1.00 0.00 O ATOM 1473 CB ASP B 840 5.303 -12.833 6.504 1.00 0.00 C ATOM 1474 CG ASP B 840 6.581 -13.551 6.876 1.00 0.00 C ATOM 1475 OD1 ASP B 840 7.568 -13.443 6.117 1.00 0.00 O ATOM 1476 OD2 ASP B 840 6.608 -14.226 7.926 1.00 0.00 O ATOM 0 HA ASP B 840 6.418 -11.016 6.708 1.00 0.00 H new ATOM 0 HB2 ASP B 840 4.473 -13.260 7.067 1.00 0.00 H new ATOM 0 HB3 ASP B 840 5.091 -13.000 5.448 1.00 0.00 H new ATOM 1481 N ALA B 841 4.849 -9.258 5.660 1.00 0.00 N ATOM 1482 CA ALA B 841 4.242 -8.348 4.698 1.00 0.00 C ATOM 1483 C ALA B 841 2.743 -8.112 4.924 1.00 0.00 C ATOM 1484 O ALA B 841 2.232 -7.040 4.590 1.00 0.00 O ATOM 1485 CB ALA B 841 4.524 -8.838 3.299 1.00 0.00 C ATOM 0 H ALA B 841 5.508 -8.798 6.288 1.00 0.00 H new ATOM 0 HA ALA B 841 4.701 -7.370 4.845 1.00 0.00 H new ATOM 0 HB1 ALA B 841 4.071 -8.159 2.577 1.00 0.00 H new ATOM 0 HB2 ALA B 841 5.601 -8.874 3.136 1.00 0.00 H new ATOM 0 HB3 ALA B 841 4.104 -9.836 3.171 1.00 0.00 H new ATOM 1491 N GLY B 842 2.048 -9.082 5.507 1.00 0.00 N ATOM 1492 CA GLY B 842 0.621 -8.948 5.705 1.00 0.00 C ATOM 1493 C GLY B 842 -0.141 -9.088 4.405 1.00 0.00 C ATOM 1494 O GLY B 842 -0.308 -8.117 3.668 1.00 0.00 O ATOM 0 H GLY B 842 2.449 -9.957 5.845 1.00 0.00 H new ATOM 0 HA2 GLY B 842 0.279 -9.705 6.410 1.00 0.00 H new ATOM 0 HA3 GLY B 842 0.405 -7.977 6.150 1.00 0.00 H new ATOM 1498 N ASN B 843 -0.595 -10.296 4.120 1.00 0.00 N ATOM 1499 CA ASN B 843 -1.301 -10.579 2.872 1.00 0.00 C ATOM 1500 C ASN B 843 -2.527 -9.693 2.704 1.00 0.00 C ATOM 1501 O ASN B 843 -2.619 -8.916 1.756 1.00 0.00 O ATOM 1502 CB ASN B 843 -1.715 -12.053 2.811 1.00 0.00 C ATOM 1503 CG ASN B 843 -0.598 -12.973 2.341 1.00 0.00 C ATOM 1504 OD1 ASN B 843 0.648 -12.563 2.524 1.00 0.00 O flip ATOM 1505 ND2 ASN B 843 -0.862 -14.046 1.797 1.00 0.00 N flip ATOM 0 H ASN B 843 -0.489 -11.103 4.735 1.00 0.00 H new ATOM 0 HA ASN B 843 -0.613 -10.363 2.055 1.00 0.00 H new ATOM 0 HB2 ASN B 843 -2.047 -12.371 3.799 1.00 0.00 H new ATOM 0 HB3 ASN B 843 -2.568 -12.156 2.140 1.00 0.00 H new ATOM 0 HD21 ASN B 843 -1.834 -14.329 1.673 1.00 0.00 H new ATOM 0 HD22 ASN B 843 -0.109 -14.651 1.471 1.00 0.00 H new ATOM 1512 N ILE B 844 -3.454 -9.793 3.639 1.00 0.00 N ATOM 1513 CA ILE B 844 -4.732 -9.097 3.517 1.00 0.00 C ATOM 1514 C ILE B 844 -4.785 -7.903 4.468 1.00 0.00 C ATOM 1515 O ILE B 844 -4.226 -7.949 5.563 1.00 0.00 O ATOM 1516 CB ILE B 844 -5.929 -10.041 3.799 1.00 0.00 C ATOM 1517 CG1 ILE B 844 -5.685 -11.418 3.166 1.00 0.00 C ATOM 1518 CG2 ILE B 844 -7.210 -9.436 3.242 1.00 0.00 C ATOM 1519 CD1 ILE B 844 -6.835 -12.386 3.348 1.00 0.00 C ATOM 0 H ILE B 844 -3.351 -10.346 4.490 1.00 0.00 H new ATOM 0 HA ILE B 844 -4.811 -8.745 2.488 1.00 0.00 H new ATOM 0 HB ILE B 844 -6.030 -10.164 4.877 1.00 0.00 H new ATOM 0 HG12 ILE B 844 -5.496 -11.289 2.100 1.00 0.00 H new ATOM 0 HG13 ILE B 844 -4.784 -11.853 3.600 1.00 0.00 H new ATOM 0 HG21 ILE B 844 -8.046 -10.105 3.444 1.00 0.00 H new ATOM 0 HG22 ILE B 844 -7.394 -8.472 3.717 1.00 0.00 H new ATOM 0 HG23 ILE B 844 -7.109 -9.297 2.166 1.00 0.00 H new ATOM 0 HD11 ILE B 844 -6.589 -13.336 2.874 1.00 0.00 H new ATOM 0 HD12 ILE B 844 -7.011 -12.546 4.412 1.00 0.00 H new ATOM 0 HD13 ILE B 844 -7.734 -11.974 2.889 1.00 0.00 H new ATOM 1531 N LEU B 845 -5.450 -6.833 4.045 1.00 0.00 N ATOM 1532 CA LEU B 845 -5.533 -5.617 4.841 1.00 0.00 C ATOM 1533 C LEU B 845 -6.802 -5.612 5.686 1.00 0.00 C ATOM 1534 O LEU B 845 -7.767 -6.309 5.366 1.00 0.00 O ATOM 1535 CB LEU B 845 -5.492 -4.373 3.941 1.00 0.00 C ATOM 1536 CG LEU B 845 -4.154 -4.119 3.241 1.00 0.00 C ATOM 1537 CD1 LEU B 845 -4.022 -4.982 1.997 1.00 0.00 C ATOM 1538 CD2 LEU B 845 -3.998 -2.646 2.893 1.00 0.00 C ATOM 0 H LEU B 845 -5.940 -6.785 3.152 1.00 0.00 H new ATOM 0 HA LEU B 845 -4.671 -5.592 5.507 1.00 0.00 H new ATOM 0 HB2 LEU B 845 -6.269 -4.467 3.182 1.00 0.00 H new ATOM 0 HB3 LEU B 845 -5.740 -3.500 4.544 1.00 0.00 H new ATOM 0 HG LEU B 845 -3.355 -4.393 3.930 1.00 0.00 H new ATOM 0 HD11 LEU B 845 -3.064 -4.784 1.517 1.00 0.00 H new ATOM 0 HD12 LEU B 845 -4.077 -6.034 2.276 1.00 0.00 H new ATOM 0 HD13 LEU B 845 -4.830 -4.748 1.304 1.00 0.00 H new ATOM 0 HD21 LEU B 845 -3.040 -2.489 2.397 1.00 0.00 H new ATOM 0 HD22 LEU B 845 -4.806 -2.342 2.228 1.00 0.00 H new ATOM 0 HD23 LEU B 845 -4.036 -2.051 3.805 1.00 0.00 H new ATOM 1550 N PRO B 846 -6.803 -4.838 6.788 1.00 0.00 N ATOM 1551 CA PRO B 846 -7.948 -4.731 7.699 1.00 0.00 C ATOM 1552 C PRO B 846 -9.248 -4.380 6.980 1.00 0.00 C ATOM 1553 O PRO B 846 -9.293 -3.492 6.123 1.00 0.00 O ATOM 1554 CB PRO B 846 -7.553 -3.597 8.661 1.00 0.00 C ATOM 1555 CG PRO B 846 -6.364 -2.944 8.045 1.00 0.00 C ATOM 1556 CD PRO B 846 -5.679 -4.012 7.249 1.00 0.00 C ATOM 0 HA PRO B 846 -8.145 -5.681 8.195 1.00 0.00 H new ATOM 0 HB2 PRO B 846 -8.370 -2.886 8.785 1.00 0.00 H new ATOM 0 HB3 PRO B 846 -7.317 -3.987 9.651 1.00 0.00 H new ATOM 0 HG2 PRO B 846 -6.661 -2.111 7.408 1.00 0.00 H new ATOM 0 HG3 PRO B 846 -5.700 -2.539 8.809 1.00 0.00 H new ATOM 0 HD2 PRO B 846 -5.113 -3.596 6.416 1.00 0.00 H new ATOM 0 HD3 PRO B 846 -4.978 -4.584 7.857 1.00 0.00 H new ATOM 1564 N SER B 847 -10.301 -5.094 7.368 1.00 0.00 N ATOM 1565 CA SER B 847 -11.636 -4.921 6.810 1.00 0.00 C ATOM 1566 C SER B 847 -12.099 -3.476 6.936 1.00 0.00 C ATOM 1567 O SER B 847 -12.751 -2.958 6.042 1.00 0.00 O ATOM 1568 CB SER B 847 -12.636 -5.849 7.509 1.00 0.00 C ATOM 1569 OG SER B 847 -13.926 -5.765 6.915 1.00 0.00 O ATOM 0 H SER B 847 -10.249 -5.816 8.086 1.00 0.00 H new ATOM 0 HA SER B 847 -11.590 -5.179 5.752 1.00 0.00 H new ATOM 0 HB2 SER B 847 -12.277 -6.877 7.459 1.00 0.00 H new ATOM 0 HB3 SER B 847 -12.702 -5.586 8.565 1.00 0.00 H new ATOM 0 HG SER B 847 -14.328 -4.897 7.127 1.00 0.00 H new ATOM 1575 N ASP B 848 -11.749 -2.837 8.049 1.00 0.00 N ATOM 1576 CA ASP B 848 -12.247 -1.497 8.377 1.00 0.00 C ATOM 1577 C ASP B 848 -12.004 -0.501 7.241 1.00 0.00 C ATOM 1578 O ASP B 848 -12.911 0.241 6.858 1.00 0.00 O ATOM 1579 CB ASP B 848 -11.575 -0.984 9.652 1.00 0.00 C ATOM 1580 CG ASP B 848 -12.189 0.308 10.152 1.00 0.00 C ATOM 1581 OD1 ASP B 848 -11.753 1.395 9.716 1.00 0.00 O ATOM 1582 OD2 ASP B 848 -13.099 0.241 11.003 1.00 0.00 O ATOM 0 H ASP B 848 -11.116 -3.227 8.747 1.00 0.00 H new ATOM 0 HA ASP B 848 -13.323 -1.580 8.529 1.00 0.00 H new ATOM 0 HB2 ASP B 848 -11.651 -1.744 10.430 1.00 0.00 H new ATOM 0 HB3 ASP B 848 -10.513 -0.828 9.462 1.00 0.00 H new ATOM 1587 N ILE B 849 -10.786 -0.481 6.705 1.00 0.00 N ATOM 1588 CA ILE B 849 -10.458 0.421 5.600 1.00 0.00 C ATOM 1589 C ILE B 849 -11.265 0.042 4.355 1.00 0.00 C ATOM 1590 O ILE B 849 -11.755 0.907 3.628 1.00 0.00 O ATOM 1591 CB ILE B 849 -8.943 0.420 5.264 1.00 0.00 C ATOM 1592 CG1 ILE B 849 -8.103 0.555 6.544 1.00 0.00 C ATOM 1593 CG2 ILE B 849 -8.613 1.559 4.299 1.00 0.00 C ATOM 1594 CD1 ILE B 849 -8.306 1.862 7.291 1.00 0.00 C ATOM 0 H ILE B 849 -10.015 -1.073 7.013 1.00 0.00 H new ATOM 0 HA ILE B 849 -10.721 1.429 5.920 1.00 0.00 H new ATOM 0 HB ILE B 849 -8.699 -0.530 4.788 1.00 0.00 H new ATOM 0 HG12 ILE B 849 -8.344 -0.272 7.211 1.00 0.00 H new ATOM 0 HG13 ILE B 849 -7.049 0.459 6.284 1.00 0.00 H new ATOM 0 HG21 ILE B 849 -7.547 1.546 4.072 1.00 0.00 H new ATOM 0 HG22 ILE B 849 -9.182 1.432 3.378 1.00 0.00 H new ATOM 0 HG23 ILE B 849 -8.875 2.512 4.758 1.00 0.00 H new ATOM 0 HD11 ILE B 849 -7.676 1.874 8.181 1.00 0.00 H new ATOM 0 HD12 ILE B 849 -8.036 2.697 6.644 1.00 0.00 H new ATOM 0 HD13 ILE B 849 -9.351 1.954 7.585 1.00 0.00 H new ATOM 1606 N MET B 850 -11.405 -1.261 4.129 1.00 0.00 N ATOM 1607 CA MET B 850 -12.185 -1.774 3.004 1.00 0.00 C ATOM 1608 C MET B 850 -13.654 -1.392 3.151 1.00 0.00 C ATOM 1609 O MET B 850 -14.315 -1.024 2.183 1.00 0.00 O ATOM 1610 CB MET B 850 -12.059 -3.303 2.917 1.00 0.00 C ATOM 1611 CG MET B 850 -10.646 -3.815 2.662 1.00 0.00 C ATOM 1612 SD MET B 850 -10.131 -3.700 0.932 1.00 0.00 S ATOM 1613 CE MET B 850 -9.727 -1.960 0.765 1.00 0.00 C ATOM 0 H MET B 850 -10.987 -1.985 4.713 1.00 0.00 H new ATOM 0 HA MET B 850 -11.792 -1.329 2.090 1.00 0.00 H new ATOM 0 HB2 MET B 850 -12.425 -3.737 3.847 1.00 0.00 H new ATOM 0 HB3 MET B 850 -12.710 -3.662 2.120 1.00 0.00 H new ATOM 0 HG2 MET B 850 -9.947 -3.249 3.278 1.00 0.00 H new ATOM 0 HG3 MET B 850 -10.583 -4.855 2.982 1.00 0.00 H new ATOM 0 HE1 MET B 850 -8.920 -1.842 0.042 1.00 0.00 H new ATOM 0 HE2 MET B 850 -10.606 -1.414 0.422 1.00 0.00 H new ATOM 0 HE3 MET B 850 -9.409 -1.566 1.730 1.00 0.00 H new ATOM 1623 N ASP B 851 -14.160 -1.492 4.371 1.00 0.00 N ATOM 1624 CA ASP B 851 -15.535 -1.113 4.670 1.00 0.00 C ATOM 1625 C ASP B 851 -15.761 0.361 4.371 1.00 0.00 C ATOM 1626 O ASP B 851 -16.815 0.737 3.859 1.00 0.00 O ATOM 1627 CB ASP B 851 -15.894 -1.419 6.136 1.00 0.00 C ATOM 1628 CG ASP B 851 -16.086 -2.901 6.394 1.00 0.00 C ATOM 1629 OD1 ASP B 851 -17.031 -3.490 5.827 1.00 0.00 O ATOM 1630 OD2 ASP B 851 -15.298 -3.489 7.164 1.00 0.00 O ATOM 0 H ASP B 851 -13.636 -1.835 5.176 1.00 0.00 H new ATOM 0 HA ASP B 851 -16.188 -1.706 4.030 1.00 0.00 H new ATOM 0 HB2 ASP B 851 -15.105 -1.040 6.786 1.00 0.00 H new ATOM 0 HB3 ASP B 851 -16.808 -0.887 6.401 1.00 0.00 H new ATOM 1635 N PHE B 852 -14.768 1.191 4.685 1.00 0.00 N ATOM 1636 CA PHE B 852 -14.869 2.629 4.467 1.00 0.00 C ATOM 1637 C PHE B 852 -15.162 2.954 3.004 1.00 0.00 C ATOM 1638 O PHE B 852 -16.067 3.732 2.716 1.00 0.00 O ATOM 1639 CB PHE B 852 -13.589 3.342 4.920 1.00 0.00 C ATOM 1640 CG PHE B 852 -13.608 4.830 4.676 1.00 0.00 C ATOM 1641 CD1 PHE B 852 -14.700 5.595 5.058 1.00 0.00 C ATOM 1642 CD2 PHE B 852 -12.536 5.462 4.064 1.00 0.00 C ATOM 1643 CE1 PHE B 852 -14.725 6.956 4.830 1.00 0.00 C ATOM 1644 CE2 PHE B 852 -12.556 6.825 3.836 1.00 0.00 C ATOM 1645 CZ PHE B 852 -13.651 7.573 4.219 1.00 0.00 C ATOM 0 H PHE B 852 -13.883 0.889 5.092 1.00 0.00 H new ATOM 0 HA PHE B 852 -15.703 2.991 5.068 1.00 0.00 H new ATOM 0 HB2 PHE B 852 -13.438 3.159 5.984 1.00 0.00 H new ATOM 0 HB3 PHE B 852 -12.737 2.907 4.398 1.00 0.00 H new ATOM 0 HD1 PHE B 852 -15.541 5.120 5.540 1.00 0.00 H new ATOM 0 HD2 PHE B 852 -11.676 4.883 3.762 1.00 0.00 H new ATOM 0 HE1 PHE B 852 -15.584 7.538 5.129 1.00 0.00 H new ATOM 0 HE2 PHE B 852 -11.715 7.305 3.358 1.00 0.00 H new ATOM 0 HZ PHE B 852 -13.668 8.638 4.041 1.00 0.00 H new ATOM 1655 N VAL B 853 -14.415 2.356 2.081 1.00 0.00 N ATOM 1656 CA VAL B 853 -14.608 2.648 0.662 1.00 0.00 C ATOM 1657 C VAL B 853 -15.997 2.196 0.193 1.00 0.00 C ATOM 1658 O VAL B 853 -16.648 2.893 -0.584 1.00 0.00 O ATOM 1659 CB VAL B 853 -13.489 2.052 -0.238 1.00 0.00 C ATOM 1660 CG1 VAL B 853 -13.502 0.531 -0.249 1.00 0.00 C ATOM 1661 CG2 VAL B 853 -13.599 2.597 -1.656 1.00 0.00 C ATOM 0 H VAL B 853 -13.681 1.677 2.283 1.00 0.00 H new ATOM 0 HA VAL B 853 -14.542 3.731 0.555 1.00 0.00 H new ATOM 0 HB VAL B 853 -12.535 2.360 0.190 1.00 0.00 H new ATOM 0 HG11 VAL B 853 -12.702 0.165 -0.892 1.00 0.00 H new ATOM 0 HG12 VAL B 853 -13.352 0.159 0.764 1.00 0.00 H new ATOM 0 HG13 VAL B 853 -14.461 0.178 -0.627 1.00 0.00 H new ATOM 0 HG21 VAL B 853 -12.808 2.170 -2.272 1.00 0.00 H new ATOM 0 HG22 VAL B 853 -14.570 2.330 -2.074 1.00 0.00 H new ATOM 0 HG23 VAL B 853 -13.498 3.682 -1.638 1.00 0.00 H new ATOM 1671 N LEU B 854 -16.454 1.040 0.676 1.00 0.00 N ATOM 1672 CA LEU B 854 -17.802 0.559 0.362 1.00 0.00 C ATOM 1673 C LEU B 854 -18.863 1.500 0.945 1.00 0.00 C ATOM 1674 O LEU B 854 -19.869 1.794 0.294 1.00 0.00 O ATOM 1675 CB LEU B 854 -18.025 -0.870 0.900 1.00 0.00 C ATOM 1676 CG LEU B 854 -17.530 -2.045 0.026 1.00 0.00 C ATOM 1677 CD1 LEU B 854 -18.396 -2.231 -1.217 1.00 0.00 C ATOM 1678 CD2 LEU B 854 -16.077 -1.864 -0.375 1.00 0.00 C ATOM 0 H LEU B 854 -15.915 0.422 1.283 1.00 0.00 H new ATOM 0 HA LEU B 854 -17.898 0.541 -0.724 1.00 0.00 H new ATOM 0 HB2 LEU B 854 -17.537 -0.944 1.872 1.00 0.00 H new ATOM 0 HB3 LEU B 854 -19.094 -1.003 1.069 1.00 0.00 H new ATOM 0 HG LEU B 854 -17.613 -2.945 0.636 1.00 0.00 H new ATOM 0 HD11 LEU B 854 -18.015 -3.066 -1.804 1.00 0.00 H new ATOM 0 HD12 LEU B 854 -19.423 -2.437 -0.917 1.00 0.00 H new ATOM 0 HD13 LEU B 854 -18.369 -1.322 -1.819 1.00 0.00 H new ATOM 0 HD21 LEU B 854 -15.761 -2.708 -0.989 1.00 0.00 H new ATOM 0 HD22 LEU B 854 -15.969 -0.941 -0.944 1.00 0.00 H new ATOM 0 HD23 LEU B 854 -15.456 -1.814 0.520 1.00 0.00 H new ATOM 1690 N LYS B 855 -18.626 1.977 2.168 1.00 0.00 N ATOM 1691 CA LYS B 855 -19.591 2.840 2.865 1.00 0.00 C ATOM 1692 C LYS B 855 -19.596 4.259 2.288 1.00 0.00 C ATOM 1693 O LYS B 855 -20.619 4.941 2.307 1.00 0.00 O ATOM 1694 CB LYS B 855 -19.285 2.893 4.377 1.00 0.00 C ATOM 1695 CG LYS B 855 -20.257 3.760 5.186 1.00 0.00 C ATOM 1696 CD LYS B 855 -21.679 3.205 5.188 1.00 0.00 C ATOM 1697 CE LYS B 855 -21.864 2.064 6.186 1.00 0.00 C ATOM 1698 NZ LYS B 855 -21.175 0.811 5.770 1.00 0.00 N ATOM 0 H LYS B 855 -17.777 1.783 2.699 1.00 0.00 H new ATOM 0 HA LYS B 855 -20.580 2.406 2.715 1.00 0.00 H new ATOM 0 HB2 LYS B 855 -19.303 1.879 4.775 1.00 0.00 H new ATOM 0 HB3 LYS B 855 -18.273 3.273 4.518 1.00 0.00 H new ATOM 0 HG2 LYS B 855 -19.900 3.837 6.213 1.00 0.00 H new ATOM 0 HG3 LYS B 855 -20.266 4.769 4.775 1.00 0.00 H new ATOM 0 HD2 LYS B 855 -22.378 4.007 5.426 1.00 0.00 H new ATOM 0 HD3 LYS B 855 -21.928 2.851 4.188 1.00 0.00 H new ATOM 0 HE2 LYS B 855 -21.485 2.375 7.159 1.00 0.00 H new ATOM 0 HE3 LYS B 855 -22.929 1.864 6.308 1.00 0.00 H new ATOM 0 HZ1 LYS B 855 -21.765 -0.009 6.019 1.00 0.00 H new ATOM 0 HZ2 LYS B 855 -21.019 0.825 4.742 1.00 0.00 H new ATOM 0 HZ3 LYS B 855 -20.259 0.740 6.258 1.00 0.00 H new ATOM 1712 N ASN B 856 -18.464 4.689 1.757 1.00 0.00 N ATOM 1713 CA ASN B 856 -18.313 6.064 1.296 1.00 0.00 C ATOM 1714 C ASN B 856 -18.659 6.178 -0.183 1.00 0.00 C ATOM 1715 O ASN B 856 -18.211 5.377 -1.002 1.00 0.00 O ATOM 1716 CB ASN B 856 -16.875 6.534 1.537 1.00 0.00 C ATOM 1717 CG ASN B 856 -16.664 8.001 1.219 1.00 0.00 C ATOM 1718 OD1 ASN B 856 -17.573 8.819 1.353 1.00 0.00 O ATOM 1719 ND2 ASN B 856 -15.454 8.347 0.805 1.00 0.00 N ATOM 0 H ASN B 856 -17.635 4.108 1.633 1.00 0.00 H new ATOM 0 HA ASN B 856 -18.999 6.698 1.858 1.00 0.00 H new ATOM 0 HB2 ASN B 856 -16.611 6.353 2.579 1.00 0.00 H new ATOM 0 HB3 ASN B 856 -16.197 5.936 0.928 1.00 0.00 H new ATOM 0 HD21 ASN B 856 -15.250 9.322 0.585 1.00 0.00 H new ATOM 0 HD22 ASN B 856 -14.727 7.639 0.707 1.00 0.00 H new ATOM 1726 N THR B 857 -19.471 7.170 -0.516 1.00 0.00 N ATOM 1727 CA THR B 857 -19.867 7.410 -1.889 1.00 0.00 C ATOM 1728 C THR B 857 -19.498 8.838 -2.299 1.00 0.00 C ATOM 1729 O THR B 857 -20.307 9.758 -2.180 1.00 0.00 O ATOM 1730 CB THR B 857 -21.382 7.189 -2.073 1.00 0.00 C ATOM 1731 OG1 THR B 857 -21.774 5.967 -1.428 1.00 0.00 O ATOM 1732 CG2 THR B 857 -21.748 7.120 -3.549 1.00 0.00 C ATOM 0 H THR B 857 -19.870 7.826 0.156 1.00 0.00 H new ATOM 0 HA THR B 857 -19.336 6.702 -2.525 1.00 0.00 H new ATOM 0 HB THR B 857 -21.907 8.032 -1.624 1.00 0.00 H new ATOM 0 HG1 THR B 857 -22.737 5.830 -1.545 1.00 0.00 H new ATOM 0 HG21 THR B 857 -22.822 6.964 -3.651 1.00 0.00 H new ATOM 0 HG22 THR B 857 -21.470 8.054 -4.037 1.00 0.00 H new ATOM 0 HG23 THR B 857 -21.215 6.293 -4.018 1.00 0.00 H new ATOM 1740 N PRO B 858 -18.254 9.039 -2.759 1.00 0.00 N ATOM 1741 CA PRO B 858 -17.753 10.358 -3.157 1.00 0.00 C ATOM 1742 C PRO B 858 -18.436 10.875 -4.418 1.00 0.00 C ATOM 1743 O PRO B 858 -18.081 10.411 -5.523 1.00 0.00 O ATOM 1744 CB PRO B 858 -16.257 10.126 -3.416 1.00 0.00 C ATOM 1745 CG PRO B 858 -15.954 8.777 -2.853 1.00 0.00 C ATOM 1746 CD PRO B 858 -17.233 7.999 -2.927 1.00 0.00 C ATOM 1747 OXT PRO B 858 -19.323 11.748 -4.304 1.00 0.00 O ATOM 0 HA PRO B 858 -17.948 11.110 -2.392 1.00 0.00 H new ATOM 0 HB2 PRO B 858 -16.034 10.164 -4.482 1.00 0.00 H new ATOM 0 HB3 PRO B 858 -15.653 10.895 -2.936 1.00 0.00 H new ATOM 0 HG2 PRO B 858 -15.165 8.285 -3.422 1.00 0.00 H new ATOM 0 HG3 PRO B 858 -15.604 8.854 -1.824 1.00 0.00 H new ATOM 0 HD2 PRO B 858 -17.337 7.480 -3.880 1.00 0.00 H new ATOM 0 HD3 PRO B 858 -17.293 7.243 -2.144 1.00 0.00 H new TER 1755 PRO B 858