USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 846 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 NoAdj-H: A 55 HIS HD1 : A 55 HIS ND1 : A 200 ZNZN :(H bumps) USER MOD Set 1.1: A 98 THR OG1 : rot 37:sc= 0.686 USER MOD Set 1.2: A 100 THR OG1 : rot 68:sc= 0.149 USER MOD Set 2.1: A 19 SER OG : rot 180:sc= -0.518 USER MOD Set 2.2: A 31 ASN : amide:sc= -0.13 X(o=-0.65,f=-0.88) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0764 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HE2:sc= -0.432 K(o=-0.43,f=-1.9) USER MOD Single : A 9 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0207) USER MOD Single : A 15 TYR OH : rot -31:sc= -0.362 USER MOD Single : A 17 LYS NZ :NH3+ 167:sc=-0.000598 (180deg=-0.123) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -110:sc= -0.246 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -120:sc= 0.356 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 170:sc= -0.404 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 78:sc= 1.16 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0.0107 K(o=0.011,f=-0.53) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot -95:sc= 0.0512 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 HIS :FLIP no HD1:sc= -0.0941 F(o=-1!,f=-0.094) USER MOD Single : A 50 MET CE :methyl -149:sc= -1.32 (180deg=-3.79!) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -5.87! C(o=-5.9!,f=-12!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 152:sc= -0.164 (180deg=-0.821) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -2.08! X(o=-2.1!,f=-2.1) USER MOD Single : A 67 LYS NZ :NH3+ 167:sc= -0.404 (180deg=-0.541) USER MOD Single : A 68 SER OG : rot 180:sc= 0.0529 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.193 K(o=-0.19,f=-2.1) USER MOD Single : A 84 GLN : amide:sc= -2.78! C(o=-2.8!,f=-4.1!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0.0247 (180deg=0.0247) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 13:sc= -3.26! USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.395 K(o=-0.39,f=-2.2) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.0155 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.560 18.844 5.945 1.00 0.00 N ATOM 2 CA GLY A 1 0.744 18.566 6.518 1.00 0.00 C ATOM 3 C GLY A 1 1.187 19.634 7.497 1.00 0.00 C ATOM 4 O GLY A 1 1.764 20.648 7.101 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.817 18.085 5.283 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.269 18.896 6.704 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.530 19.751 5.437 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.716 17.602 7.025 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.479 18.484 5.717 1.00 0.00 H new ATOM 8 N SER A 2 0.917 19.410 8.779 1.00 0.00 N ATOM 9 CA SER A 2 1.287 20.365 9.817 1.00 0.00 C ATOM 10 C SER A 2 2.646 20.991 9.519 1.00 0.00 C ATOM 11 O SER A 2 2.784 22.214 9.486 1.00 0.00 O ATOM 12 CB SER A 2 1.318 19.678 11.184 1.00 0.00 C ATOM 13 OG SER A 2 2.179 18.552 11.169 1.00 0.00 O ATOM 0 H SER A 2 0.443 18.575 9.124 1.00 0.00 H new ATOM 0 HA SER A 2 0.537 21.156 9.833 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.652 20.386 11.943 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.311 19.366 11.461 1.00 0.00 H new ATOM 0 HG SER A 2 2.183 18.131 12.054 1.00 0.00 H new ATOM 19 N SER A 3 3.647 20.143 9.303 1.00 0.00 N ATOM 20 CA SER A 3 4.996 20.612 9.011 1.00 0.00 C ATOM 21 C SER A 3 5.613 19.815 7.866 1.00 0.00 C ATOM 22 O SER A 3 5.927 18.635 8.014 1.00 0.00 O ATOM 23 CB SER A 3 5.878 20.502 10.257 1.00 0.00 C ATOM 24 OG SER A 3 6.909 21.473 10.240 1.00 0.00 O ATOM 0 H SER A 3 3.549 19.128 9.325 1.00 0.00 H new ATOM 0 HA SER A 3 4.933 21.658 8.710 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.268 20.631 11.151 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.315 19.505 10.310 1.00 0.00 H new ATOM 0 HG SER A 3 7.457 21.382 11.047 1.00 0.00 H new ATOM 30 N GLY A 4 5.783 20.471 6.722 1.00 0.00 N ATOM 31 CA GLY A 4 6.361 19.809 5.567 1.00 0.00 C ATOM 32 C GLY A 4 7.291 20.715 4.784 1.00 0.00 C ATOM 33 O GLY A 4 6.893 21.309 3.783 1.00 0.00 O ATOM 0 H GLY A 4 5.531 21.448 6.575 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.910 18.926 5.895 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.561 19.462 4.913 1.00 0.00 H new ATOM 37 N SER A 5 8.534 20.822 5.243 1.00 0.00 N ATOM 38 CA SER A 5 9.522 21.667 4.582 1.00 0.00 C ATOM 39 C SER A 5 10.733 20.848 4.146 1.00 0.00 C ATOM 40 O SER A 5 11.749 20.803 4.840 1.00 0.00 O ATOM 41 CB SER A 5 9.965 22.796 5.515 1.00 0.00 C ATOM 42 OG SER A 5 8.885 23.662 5.816 1.00 0.00 O ATOM 0 H SER A 5 8.881 20.335 6.069 1.00 0.00 H new ATOM 0 HA SER A 5 9.059 22.099 3.695 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.365 22.374 6.437 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.771 23.363 5.048 1.00 0.00 H new ATOM 0 HG SER A 5 9.194 24.374 6.415 1.00 0.00 H new ATOM 48 N SER A 6 10.617 20.201 2.991 1.00 0.00 N ATOM 49 CA SER A 6 11.700 19.379 2.463 1.00 0.00 C ATOM 50 C SER A 6 12.254 18.452 3.541 1.00 0.00 C ATOM 51 O SER A 6 13.466 18.288 3.671 1.00 0.00 O ATOM 52 CB SER A 6 12.819 20.265 1.912 1.00 0.00 C ATOM 53 OG SER A 6 12.335 21.123 0.893 1.00 0.00 O ATOM 0 H SER A 6 9.784 20.230 2.403 1.00 0.00 H new ATOM 0 HA SER A 6 11.298 18.768 1.655 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.247 20.859 2.719 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.620 19.641 1.516 1.00 0.00 H new ATOM 0 HG SER A 6 13.069 21.680 0.559 1.00 0.00 H new ATOM 59 N GLY A 7 11.355 17.847 4.311 1.00 0.00 N ATOM 60 CA GLY A 7 11.772 16.944 5.368 1.00 0.00 C ATOM 61 C GLY A 7 10.759 15.845 5.624 1.00 0.00 C ATOM 62 O GLY A 7 10.231 15.764 6.732 1.00 0.00 O ATOM 0 H GLY A 7 10.346 17.966 4.222 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.730 16.497 5.103 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.928 17.511 6.286 1.00 0.00 H new ATOM 66 N HIS A 8 10.507 15.029 4.611 1.00 0.00 N ATOM 67 CA HIS A 8 9.553 13.942 4.746 1.00 0.00 C ATOM 68 C HIS A 8 9.694 12.985 3.560 1.00 0.00 C ATOM 69 O HIS A 8 9.950 13.385 2.424 1.00 0.00 O ATOM 70 CB HIS A 8 8.131 14.484 4.904 1.00 0.00 C ATOM 71 CG HIS A 8 7.693 15.397 3.783 1.00 0.00 C ATOM 72 ND1 HIS A 8 7.452 16.747 3.967 1.00 0.00 N ATOM 73 CD2 HIS A 8 7.457 15.140 2.464 1.00 0.00 C ATOM 74 CE1 HIS A 8 7.087 17.269 2.805 1.00 0.00 C ATOM 75 NE2 HIS A 8 7.091 16.271 1.875 1.00 0.00 N ATOM 0 H HIS A 8 10.947 15.099 3.693 1.00 0.00 H new ATOM 0 HA HIS A 8 9.767 13.376 5.653 1.00 0.00 H new ATOM 0 HB2 HIS A 8 7.438 13.645 4.967 1.00 0.00 H new ATOM 0 HB3 HIS A 8 8.062 15.025 5.848 1.00 0.00 H new ATOM 0 HD1 HIS A 8 7.540 17.254 4.848 1.00 0.00 H new ATOM 0 HD2 HIS A 8 7.552 14.179 1.981 1.00 0.00 H new ATOM 0 HE1 HIS A 8 6.831 18.303 2.626 1.00 0.00 H new ATOM 83 N LYS A 9 9.521 11.701 3.852 1.00 0.00 N ATOM 84 CA LYS A 9 9.622 10.664 2.831 1.00 0.00 C ATOM 85 C LYS A 9 8.543 10.840 1.768 1.00 0.00 C ATOM 86 O LYS A 9 7.396 11.178 2.063 1.00 0.00 O ATOM 87 CB LYS A 9 9.503 9.278 3.470 1.00 0.00 C ATOM 88 CG LYS A 9 10.829 8.712 3.946 1.00 0.00 C ATOM 89 CD LYS A 9 10.646 7.797 5.146 1.00 0.00 C ATOM 90 CE LYS A 9 11.967 7.184 5.586 1.00 0.00 C ATOM 91 NZ LYS A 9 12.871 8.197 6.199 1.00 0.00 N ATOM 0 H LYS A 9 9.310 11.353 4.787 1.00 0.00 H new ATOM 0 HA LYS A 9 10.597 10.754 2.352 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.817 9.335 4.315 1.00 0.00 H new ATOM 0 HB3 LYS A 9 9.062 8.591 2.748 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.302 8.159 3.134 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.501 9.529 4.209 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.212 8.361 5.972 1.00 0.00 H new ATOM 0 HD3 LYS A 9 9.941 7.004 4.896 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.776 6.386 6.303 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.460 6.729 4.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.739 7.731 6.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.115 8.919 5.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.391 8.649 7.003 1.00 0.00 H new ATOM 105 N PRO A 10 8.915 10.604 0.501 1.00 0.00 N ATOM 106 CA PRO A 10 7.992 10.728 -0.631 1.00 0.00 C ATOM 107 C PRO A 10 6.930 9.634 -0.636 1.00 0.00 C ATOM 108 O PRO A 10 5.774 9.881 -0.979 1.00 0.00 O ATOM 109 CB PRO A 10 8.907 10.590 -1.851 1.00 0.00 C ATOM 110 CG PRO A 10 10.074 9.804 -1.362 1.00 0.00 C ATOM 111 CD PRO A 10 10.265 10.197 0.077 1.00 0.00 C ATOM 0 HA PRO A 10 7.435 11.664 -0.602 1.00 0.00 H new ATOM 0 HB2 PRO A 10 8.401 10.079 -2.670 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.216 11.565 -2.227 1.00 0.00 H new ATOM 0 HG2 PRO A 10 9.889 8.734 -1.453 1.00 0.00 H new ATOM 0 HG3 PRO A 10 10.966 10.024 -1.948 1.00 0.00 H new ATOM 0 HD2 PRO A 10 10.640 9.366 0.674 1.00 0.00 H new ATOM 0 HD3 PRO A 10 10.981 11.012 0.179 1.00 0.00 H new ATOM 119 N TRP A 11 7.329 8.427 -0.254 1.00 0.00 N ATOM 120 CA TRP A 11 6.410 7.295 -0.214 1.00 0.00 C ATOM 121 C TRP A 11 6.142 6.861 1.223 1.00 0.00 C ATOM 122 O TRP A 11 6.994 7.020 2.098 1.00 0.00 O ATOM 123 CB TRP A 11 6.977 6.123 -1.016 1.00 0.00 C ATOM 124 CG TRP A 11 6.986 6.364 -2.495 1.00 0.00 C ATOM 125 CD1 TRP A 11 7.973 6.967 -3.221 1.00 0.00 C ATOM 126 CD2 TRP A 11 5.959 6.010 -3.428 1.00 0.00 C ATOM 127 NE1 TRP A 11 7.621 7.009 -4.549 1.00 0.00 N ATOM 128 CE2 TRP A 11 6.390 6.427 -4.702 1.00 0.00 C ATOM 129 CE3 TRP A 11 4.717 5.378 -3.311 1.00 0.00 C ATOM 130 CZ2 TRP A 11 5.623 6.234 -5.848 1.00 0.00 C ATOM 131 CZ3 TRP A 11 3.957 5.188 -4.449 1.00 0.00 C ATOM 132 CH2 TRP A 11 4.412 5.613 -5.704 1.00 0.00 C ATOM 0 H TRP A 11 8.283 8.206 0.033 1.00 0.00 H new ATOM 0 HA TRP A 11 5.467 7.609 -0.660 1.00 0.00 H new ATOM 0 HB2 TRP A 11 7.995 5.922 -0.682 1.00 0.00 H new ATOM 0 HB3 TRP A 11 6.390 5.229 -0.804 1.00 0.00 H new ATOM 0 HD1 TRP A 11 8.895 7.354 -2.812 1.00 0.00 H new ATOM 0 HE1 TRP A 11 8.185 7.409 -5.299 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.358 5.044 -2.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 5.971 6.563 -6.816 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.995 4.703 -4.370 1.00 0.00 H new ATOM 0 HH2 TRP A 11 3.795 5.447 -6.575 1.00 0.00 H new ATOM 143 N ARG A 12 4.955 6.313 1.460 1.00 0.00 N ATOM 144 CA ARG A 12 4.576 5.858 2.792 1.00 0.00 C ATOM 145 C ARG A 12 4.074 4.417 2.752 1.00 0.00 C ATOM 146 O ARG A 12 3.523 3.969 1.747 1.00 0.00 O ATOM 147 CB ARG A 12 3.496 6.769 3.378 1.00 0.00 C ATOM 148 CG ARG A 12 2.098 6.463 2.866 1.00 0.00 C ATOM 149 CD ARG A 12 1.107 7.543 3.272 1.00 0.00 C ATOM 150 NE ARG A 12 0.748 7.453 4.685 1.00 0.00 N ATOM 151 CZ ARG A 12 0.235 8.463 5.379 1.00 0.00 C ATOM 152 NH1 ARG A 12 0.022 9.633 4.793 1.00 0.00 N ATOM 153 NH2 ARG A 12 -0.066 8.303 6.662 1.00 0.00 N ATOM 0 H ARG A 12 4.239 6.173 0.747 1.00 0.00 H new ATOM 0 HA ARG A 12 5.461 5.899 3.428 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.504 6.676 4.464 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.741 7.805 3.145 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.118 6.376 1.780 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.769 5.500 3.257 1.00 0.00 H new ATOM 0 HD2 ARG A 12 1.536 8.524 3.069 1.00 0.00 H new ATOM 0 HD3 ARG A 12 0.207 7.457 2.663 1.00 0.00 H new ATOM 0 HE ARG A 12 0.900 6.566 5.165 1.00 0.00 H new ATOM 0 HH11 ARG A 12 0.252 9.759 3.807 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.372 10.407 5.328 1.00 0.00 H new ATOM 0 HH21 ARG A 12 0.097 7.404 7.116 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.460 9.079 7.194 1.00 0.00 H new ATOM 167 N ALA A 13 4.269 3.697 3.851 1.00 0.00 N ATOM 168 CA ALA A 13 3.836 2.308 3.942 1.00 0.00 C ATOM 169 C ALA A 13 3.077 2.054 5.240 1.00 0.00 C ATOM 170 O ALA A 13 3.596 2.296 6.330 1.00 0.00 O ATOM 171 CB ALA A 13 5.032 1.374 3.835 1.00 0.00 C ATOM 0 H ALA A 13 4.724 4.053 4.692 1.00 0.00 H new ATOM 0 HA ALA A 13 3.159 2.109 3.111 1.00 0.00 H new ATOM 0 HB1 ALA A 13 4.694 0.340 3.905 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.530 1.529 2.878 1.00 0.00 H new ATOM 0 HB3 ALA A 13 5.730 1.583 4.646 1.00 0.00 H new ATOM 177 N GLU A 14 1.848 1.564 5.116 1.00 0.00 N ATOM 178 CA GLU A 14 1.018 1.279 6.281 1.00 0.00 C ATOM 179 C GLU A 14 -0.218 0.476 5.885 1.00 0.00 C ATOM 180 O GLU A 14 -0.759 0.647 4.792 1.00 0.00 O ATOM 181 CB GLU A 14 0.597 2.581 6.966 1.00 0.00 C ATOM 182 CG GLU A 14 -0.187 3.518 6.062 1.00 0.00 C ATOM 183 CD GLU A 14 -0.347 4.903 6.657 1.00 0.00 C ATOM 184 OE1 GLU A 14 0.673 5.607 6.805 1.00 0.00 O ATOM 185 OE2 GLU A 14 -1.494 5.283 6.973 1.00 0.00 O ATOM 0 H GLU A 14 1.405 1.356 4.221 1.00 0.00 H new ATOM 0 HA GLU A 14 1.608 0.685 6.979 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.008 2.342 7.841 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.487 3.097 7.326 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.319 3.596 5.100 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.172 3.093 5.871 1.00 0.00 H new ATOM 192 N TYR A 15 -0.658 -0.400 6.781 1.00 0.00 N ATOM 193 CA TYR A 15 -1.828 -1.232 6.525 1.00 0.00 C ATOM 194 C TYR A 15 -3.114 -0.426 6.682 1.00 0.00 C ATOM 195 O TYR A 15 -3.326 0.233 7.699 1.00 0.00 O ATOM 196 CB TYR A 15 -1.845 -2.431 7.475 1.00 0.00 C ATOM 197 CG TYR A 15 -0.844 -3.504 7.113 1.00 0.00 C ATOM 198 CD1 TYR A 15 0.116 -3.284 6.134 1.00 0.00 C ATOM 199 CD2 TYR A 15 -0.859 -4.739 7.750 1.00 0.00 C ATOM 200 CE1 TYR A 15 1.033 -4.262 5.799 1.00 0.00 C ATOM 201 CE2 TYR A 15 0.055 -5.723 7.423 1.00 0.00 C ATOM 202 CZ TYR A 15 0.998 -5.480 6.447 1.00 0.00 C ATOM 203 OH TYR A 15 1.909 -6.457 6.117 1.00 0.00 O ATOM 0 H TYR A 15 -0.223 -0.553 7.691 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.769 -1.592 5.498 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -1.643 -2.084 8.488 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.845 -2.865 7.481 1.00 0.00 H new ATOM 0 HD1 TYR A 15 0.146 -2.332 5.625 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -1.598 -4.933 8.514 1.00 0.00 H new ATOM 0 HE1 TYR A 15 1.773 -4.074 5.035 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.031 -6.677 7.929 1.00 0.00 H new ATOM 0 HH TYR A 15 2.150 -6.374 5.171 1.00 0.00 H new ATOM 213 N ALA A 16 -3.970 -0.486 5.667 1.00 0.00 N ATOM 214 CA ALA A 16 -5.236 0.234 5.691 1.00 0.00 C ATOM 215 C ALA A 16 -6.060 -0.146 6.917 1.00 0.00 C ATOM 216 O ALA A 16 -6.012 -1.285 7.382 1.00 0.00 O ATOM 217 CB ALA A 16 -6.023 -0.038 4.418 1.00 0.00 C ATOM 0 H ALA A 16 -3.809 -1.027 4.817 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.018 1.300 5.748 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.967 0.507 4.450 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.444 0.290 3.555 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.223 -1.106 4.335 1.00 0.00 H new ATOM 223 N LYS A 17 -6.817 0.815 7.436 1.00 0.00 N ATOM 224 CA LYS A 17 -7.653 0.581 8.608 1.00 0.00 C ATOM 225 C LYS A 17 -9.115 0.406 8.207 1.00 0.00 C ATOM 226 O LYS A 17 -9.880 -0.271 8.894 1.00 0.00 O ATOM 227 CB LYS A 17 -7.520 1.743 9.595 1.00 0.00 C ATOM 228 CG LYS A 17 -6.170 1.800 10.289 1.00 0.00 C ATOM 229 CD LYS A 17 -5.168 2.619 9.493 1.00 0.00 C ATOM 230 CE LYS A 17 -5.459 4.109 9.595 1.00 0.00 C ATOM 231 NZ LYS A 17 -5.132 4.647 10.944 1.00 0.00 N ATOM 0 H LYS A 17 -6.869 1.763 7.064 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.313 -0.337 9.088 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.686 2.680 9.064 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.303 1.660 10.348 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.288 2.233 11.282 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.787 0.789 10.426 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.161 2.418 9.858 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.195 2.313 8.447 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.882 4.644 8.841 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.512 4.289 9.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.132 5.687 10.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.843 4.322 11.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.192 4.309 11.234 1.00 0.00 H new ATOM 245 N SER A 18 -9.495 1.019 7.091 1.00 0.00 N ATOM 246 CA SER A 18 -10.866 0.932 6.600 1.00 0.00 C ATOM 247 C SER A 18 -10.893 0.860 5.076 1.00 0.00 C ATOM 248 O SER A 18 -9.969 1.318 4.405 1.00 0.00 O ATOM 249 CB SER A 18 -11.679 2.136 7.079 1.00 0.00 C ATOM 250 OG SER A 18 -13.066 1.849 7.073 1.00 0.00 O ATOM 0 H SER A 18 -8.874 1.581 6.510 1.00 0.00 H new ATOM 0 HA SER A 18 -11.311 0.020 6.998 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.366 2.413 8.086 1.00 0.00 H new ATOM 0 HB3 SER A 18 -11.479 2.993 6.436 1.00 0.00 H new ATOM 0 HG SER A 18 -13.564 2.634 7.385 1.00 0.00 H new ATOM 256 N SER A 19 -11.961 0.280 4.537 1.00 0.00 N ATOM 257 CA SER A 19 -12.109 0.144 3.093 1.00 0.00 C ATOM 258 C SER A 19 -12.727 1.401 2.488 1.00 0.00 C ATOM 259 O SER A 19 -13.568 1.324 1.593 1.00 0.00 O ATOM 260 CB SER A 19 -12.974 -1.073 2.760 1.00 0.00 C ATOM 261 OG SER A 19 -12.647 -2.174 3.591 1.00 0.00 O ATOM 0 H SER A 19 -12.736 -0.103 5.079 1.00 0.00 H new ATOM 0 HA SER A 19 -11.117 0.005 2.663 1.00 0.00 H new ATOM 0 HB2 SER A 19 -14.027 -0.820 2.884 1.00 0.00 H new ATOM 0 HB3 SER A 19 -12.833 -1.348 1.715 1.00 0.00 H new ATOM 0 HG SER A 19 -13.215 -2.939 3.360 1.00 0.00 H new ATOM 267 N ARG A 20 -12.302 2.558 2.985 1.00 0.00 N ATOM 268 CA ARG A 20 -12.813 3.833 2.496 1.00 0.00 C ATOM 269 C ARG A 20 -11.936 4.375 1.370 1.00 0.00 C ATOM 270 O ARG A 20 -12.438 4.821 0.339 1.00 0.00 O ATOM 271 CB ARG A 20 -12.883 4.850 3.636 1.00 0.00 C ATOM 272 CG ARG A 20 -13.904 4.496 4.706 1.00 0.00 C ATOM 273 CD ARG A 20 -15.296 4.978 4.329 1.00 0.00 C ATOM 274 NE ARG A 20 -16.340 4.121 4.884 1.00 0.00 N ATOM 275 CZ ARG A 20 -17.585 4.530 5.107 1.00 0.00 C ATOM 276 NH1 ARG A 20 -17.938 5.776 4.822 1.00 0.00 N ATOM 277 NH2 ARG A 20 -18.479 3.691 5.615 1.00 0.00 N ATOM 0 H ARG A 20 -11.605 2.639 3.726 1.00 0.00 H new ATOM 0 HA ARG A 20 -13.816 3.667 2.104 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -11.899 4.934 4.098 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -13.126 5.829 3.224 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -13.919 3.416 4.853 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -13.608 4.943 5.655 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -15.436 5.998 4.687 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -15.389 5.006 3.243 1.00 0.00 H new ATOM 0 HE ARG A 20 -16.101 3.156 5.113 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -17.254 6.423 4.431 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -18.894 6.087 4.994 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -18.211 2.732 5.835 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -19.434 4.006 5.786 1.00 0.00 H new ATOM 291 N SER A 21 -10.624 4.333 1.577 1.00 0.00 N ATOM 292 CA SER A 21 -9.677 4.823 0.582 1.00 0.00 C ATOM 293 C SER A 21 -9.749 3.989 -0.693 1.00 0.00 C ATOM 294 O SER A 21 -9.999 2.785 -0.647 1.00 0.00 O ATOM 295 CB SER A 21 -8.255 4.796 1.144 1.00 0.00 C ATOM 296 OG SER A 21 -7.920 3.504 1.621 1.00 0.00 O ATOM 0 H SER A 21 -10.192 3.965 2.425 1.00 0.00 H new ATOM 0 HA SER A 21 -9.943 5.851 0.338 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.549 5.096 0.370 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.167 5.520 1.954 1.00 0.00 H new ATOM 0 HG SER A 21 -7.861 3.522 2.599 1.00 0.00 H new ATOM 302 N SER A 22 -9.528 4.640 -1.831 1.00 0.00 N ATOM 303 CA SER A 22 -9.571 3.961 -3.121 1.00 0.00 C ATOM 304 C SER A 22 -8.317 4.262 -3.936 1.00 0.00 C ATOM 305 O SER A 22 -7.895 5.414 -4.044 1.00 0.00 O ATOM 306 CB SER A 22 -10.816 4.384 -3.903 1.00 0.00 C ATOM 307 OG SER A 22 -11.966 4.373 -3.076 1.00 0.00 O ATOM 0 H SER A 22 -9.317 5.637 -1.886 1.00 0.00 H new ATOM 0 HA SER A 22 -9.614 2.887 -2.937 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.669 5.383 -4.314 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.965 3.711 -4.747 1.00 0.00 H new ATOM 0 HG SER A 22 -12.748 4.649 -3.599 1.00 0.00 H new ATOM 313 N CYS A 23 -7.727 3.219 -4.509 1.00 0.00 N ATOM 314 CA CYS A 23 -6.521 3.370 -5.314 1.00 0.00 C ATOM 315 C CYS A 23 -6.748 4.358 -6.454 1.00 0.00 C ATOM 316 O CYS A 23 -7.885 4.617 -6.849 1.00 0.00 O ATOM 317 CB CYS A 23 -6.086 2.015 -5.878 1.00 0.00 C ATOM 318 SG CYS A 23 -4.606 2.091 -6.937 1.00 0.00 S ATOM 0 H CYS A 23 -8.064 2.260 -4.431 1.00 0.00 H new ATOM 0 HA CYS A 23 -5.732 3.759 -4.671 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.892 1.334 -5.049 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -6.910 1.591 -6.453 1.00 0.00 H new ATOM 323 N LYS A 24 -5.658 4.907 -6.980 1.00 0.00 N ATOM 324 CA LYS A 24 -5.737 5.866 -8.076 1.00 0.00 C ATOM 325 C LYS A 24 -5.225 5.251 -9.375 1.00 0.00 C ATOM 326 O LYS A 24 -5.665 5.618 -10.464 1.00 0.00 O ATOM 327 CB LYS A 24 -4.929 7.122 -7.741 1.00 0.00 C ATOM 328 CG LYS A 24 -5.385 7.817 -6.469 1.00 0.00 C ATOM 329 CD LYS A 24 -6.456 8.855 -6.755 1.00 0.00 C ATOM 330 CE LYS A 24 -5.849 10.226 -7.013 1.00 0.00 C ATOM 331 NZ LYS A 24 -5.723 11.022 -5.761 1.00 0.00 N ATOM 0 H LYS A 24 -4.709 4.704 -6.665 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.783 6.140 -8.212 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.878 6.852 -7.641 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.000 7.822 -8.573 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.772 7.078 -5.768 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.532 8.296 -5.989 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.041 8.546 -7.621 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.143 8.913 -5.910 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.866 10.108 -7.469 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.468 10.769 -7.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.276 11.898 -5.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.082 10.466 -4.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.723 11.258 -5.599 1.00 0.00 H new ATOM 345 N THR A 25 -4.292 4.311 -9.252 1.00 0.00 N ATOM 346 CA THR A 25 -3.721 3.645 -10.416 1.00 0.00 C ATOM 347 C THR A 25 -4.749 2.750 -11.097 1.00 0.00 C ATOM 348 O THR A 25 -4.793 2.660 -12.324 1.00 0.00 O ATOM 349 CB THR A 25 -2.493 2.797 -10.031 1.00 0.00 C ATOM 350 OG1 THR A 25 -1.385 3.651 -9.726 1.00 0.00 O ATOM 351 CG2 THR A 25 -2.115 1.850 -11.160 1.00 0.00 C ATOM 0 H THR A 25 -3.916 3.994 -8.358 1.00 0.00 H new ATOM 0 HA THR A 25 -3.411 4.428 -11.108 1.00 0.00 H new ATOM 0 HB THR A 25 -2.748 2.205 -9.152 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.663 3.121 -9.330 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.246 1.262 -10.866 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.951 1.183 -11.370 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.877 2.426 -12.054 1.00 0.00 H new ATOM 359 N CYS A 26 -5.576 2.089 -10.294 1.00 0.00 N ATOM 360 CA CYS A 26 -6.606 1.201 -10.819 1.00 0.00 C ATOM 361 C CYS A 26 -7.999 1.756 -10.537 1.00 0.00 C ATOM 362 O CYS A 26 -8.989 1.302 -11.112 1.00 0.00 O ATOM 363 CB CYS A 26 -6.467 -0.194 -10.204 1.00 0.00 C ATOM 364 SG CYS A 26 -6.990 -0.294 -8.462 1.00 0.00 S ATOM 0 H CYS A 26 -5.553 2.152 -9.276 1.00 0.00 H new ATOM 0 HA CYS A 26 -6.474 1.131 -11.899 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -7.057 -0.898 -10.790 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -5.427 -0.510 -10.279 1.00 0.00 H new ATOM 369 N LYS A 27 -8.069 2.742 -9.650 1.00 0.00 N ATOM 370 CA LYS A 27 -9.339 3.362 -9.292 1.00 0.00 C ATOM 371 C LYS A 27 -10.268 2.353 -8.625 1.00 0.00 C ATOM 372 O LYS A 27 -11.447 2.261 -8.966 1.00 0.00 O ATOM 373 CB LYS A 27 -10.012 3.947 -10.536 1.00 0.00 C ATOM 374 CG LYS A 27 -9.189 5.022 -11.224 1.00 0.00 C ATOM 375 CD LYS A 27 -8.317 4.439 -12.323 1.00 0.00 C ATOM 376 CE LYS A 27 -9.154 3.912 -13.478 1.00 0.00 C ATOM 377 NZ LYS A 27 -8.344 3.734 -14.715 1.00 0.00 N ATOM 0 H LYS A 27 -7.260 3.130 -9.165 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.136 4.166 -8.584 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.209 3.143 -11.245 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.978 4.366 -10.253 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.854 5.775 -11.647 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.561 5.527 -10.490 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.631 5.203 -12.688 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.708 3.632 -11.916 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.601 2.959 -13.197 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.974 4.602 -13.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.951 3.373 -15.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.938 4.648 -14.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.577 3.056 -14.533 1.00 0.00 H new ATOM 391 N SER A 28 -9.730 1.600 -7.671 1.00 0.00 N ATOM 392 CA SER A 28 -10.511 0.596 -6.958 1.00 0.00 C ATOM 393 C SER A 28 -10.482 0.853 -5.454 1.00 0.00 C ATOM 394 O SER A 28 -9.800 1.762 -4.981 1.00 0.00 O ATOM 395 CB SER A 28 -9.975 -0.805 -7.258 1.00 0.00 C ATOM 396 OG SER A 28 -9.748 -0.978 -8.646 1.00 0.00 O ATOM 0 H SER A 28 -8.756 1.666 -7.374 1.00 0.00 H new ATOM 0 HA SER A 28 -11.544 0.663 -7.301 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.046 -0.967 -6.711 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.686 -1.553 -6.907 1.00 0.00 H new ATOM 0 HG SER A 28 -8.910 -0.538 -8.898 1.00 0.00 H new ATOM 402 N VAL A 29 -11.227 0.044 -4.708 1.00 0.00 N ATOM 403 CA VAL A 29 -11.287 0.182 -3.258 1.00 0.00 C ATOM 404 C VAL A 29 -10.156 -0.588 -2.585 1.00 0.00 C ATOM 405 O VAL A 29 -9.798 -1.685 -3.014 1.00 0.00 O ATOM 406 CB VAL A 29 -12.634 -0.317 -2.702 1.00 0.00 C ATOM 407 CG1 VAL A 29 -12.458 -0.876 -1.298 1.00 0.00 C ATOM 408 CG2 VAL A 29 -13.663 0.803 -2.713 1.00 0.00 C ATOM 0 H VAL A 29 -11.797 -0.714 -5.084 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.182 1.244 -3.037 1.00 0.00 H new ATOM 0 HB VAL A 29 -12.997 -1.119 -3.344 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -13.420 -1.224 -0.922 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.756 -1.709 -1.324 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -12.072 -0.096 -0.642 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -14.608 0.432 -2.317 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.309 1.628 -2.095 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.810 1.152 -3.735 1.00 0.00 H new ATOM 418 N ILE A 30 -9.597 -0.006 -1.530 1.00 0.00 N ATOM 419 CA ILE A 30 -8.507 -0.638 -0.797 1.00 0.00 C ATOM 420 C ILE A 30 -8.968 -1.104 0.580 1.00 0.00 C ATOM 421 O ILE A 30 -8.875 -0.365 1.559 1.00 0.00 O ATOM 422 CB ILE A 30 -7.312 0.318 -0.630 1.00 0.00 C ATOM 423 CG1 ILE A 30 -6.804 0.778 -1.998 1.00 0.00 C ATOM 424 CG2 ILE A 30 -6.198 -0.358 0.155 1.00 0.00 C ATOM 425 CD1 ILE A 30 -6.012 2.067 -1.946 1.00 0.00 C ATOM 0 H ILE A 30 -9.881 0.903 -1.163 1.00 0.00 H new ATOM 0 HA ILE A 30 -8.191 -1.501 -1.383 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.642 1.194 -0.072 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.180 -0.006 -2.427 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.654 0.910 -2.667 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.360 0.331 0.265 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.567 -0.640 1.141 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.867 -1.250 -0.377 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.683 2.333 -2.951 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.640 2.864 -1.547 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.142 1.934 -1.303 1.00 0.00 H new ATOM 437 N ASN A 31 -9.464 -2.335 0.647 1.00 0.00 N ATOM 438 CA ASN A 31 -9.938 -2.901 1.905 1.00 0.00 C ATOM 439 C ASN A 31 -8.854 -2.830 2.976 1.00 0.00 C ATOM 440 O ASN A 31 -7.662 -2.879 2.674 1.00 0.00 O ATOM 441 CB ASN A 31 -10.375 -4.353 1.703 1.00 0.00 C ATOM 442 CG ASN A 31 -11.234 -4.531 0.465 1.00 0.00 C ATOM 443 OD1 ASN A 31 -10.736 -4.886 -0.603 1.00 0.00 O ATOM 444 ND2 ASN A 31 -12.531 -4.283 0.604 1.00 0.00 N ATOM 0 H ASN A 31 -9.548 -2.960 -0.155 1.00 0.00 H new ATOM 0 HA ASN A 31 -10.794 -2.314 2.239 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -9.492 -4.988 1.624 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -10.931 -4.688 2.579 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -13.158 -4.385 -0.194 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -12.900 -3.991 1.509 1.00 0.00 H new ATOM 451 N LYS A 32 -9.277 -2.714 4.231 1.00 0.00 N ATOM 452 CA LYS A 32 -8.344 -2.637 5.349 1.00 0.00 C ATOM 453 C LYS A 32 -7.546 -3.931 5.481 1.00 0.00 C ATOM 454 O LYS A 32 -7.888 -4.945 4.875 1.00 0.00 O ATOM 455 CB LYS A 32 -9.098 -2.355 6.650 1.00 0.00 C ATOM 456 CG LYS A 32 -9.719 -3.593 7.274 1.00 0.00 C ATOM 457 CD LYS A 32 -11.083 -3.291 7.873 1.00 0.00 C ATOM 458 CE LYS A 32 -10.984 -2.991 9.361 1.00 0.00 C ATOM 459 NZ LYS A 32 -12.214 -2.329 9.876 1.00 0.00 N ATOM 0 H LYS A 32 -10.260 -2.671 4.499 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.649 -1.820 5.155 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.413 -1.902 7.366 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.883 -1.624 6.454 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.817 -4.372 6.518 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.058 -3.982 8.049 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.527 -2.439 7.358 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.747 -4.141 7.715 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.815 -3.918 9.908 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.122 -2.350 9.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.107 -2.141 10.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.362 -1.431 9.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.033 -2.951 9.723 1.00 0.00 H new ATOM 473 N GLU A 33 -6.483 -3.886 6.279 1.00 0.00 N ATOM 474 CA GLU A 33 -5.639 -5.056 6.490 1.00 0.00 C ATOM 475 C GLU A 33 -4.885 -5.421 5.214 1.00 0.00 C ATOM 476 O GLU A 33 -4.553 -6.584 4.989 1.00 0.00 O ATOM 477 CB GLU A 33 -6.482 -6.245 6.955 1.00 0.00 C ATOM 478 CG GLU A 33 -7.585 -5.865 7.929 1.00 0.00 C ATOM 479 CD GLU A 33 -7.834 -6.935 8.974 1.00 0.00 C ATOM 480 OE1 GLU A 33 -8.562 -7.903 8.671 1.00 0.00 O ATOM 481 OE2 GLU A 33 -7.301 -6.803 10.096 1.00 0.00 O ATOM 0 H GLU A 33 -6.187 -3.054 6.789 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.912 -4.811 7.264 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.928 -6.726 6.084 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.830 -6.980 7.427 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.320 -4.932 8.426 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.506 -5.681 7.376 1.00 0.00 H new ATOM 488 N ASN A 34 -4.621 -4.418 4.383 1.00 0.00 N ATOM 489 CA ASN A 34 -3.908 -4.633 3.129 1.00 0.00 C ATOM 490 C ASN A 34 -2.714 -3.690 3.014 1.00 0.00 C ATOM 491 O ASN A 34 -2.781 -2.532 3.428 1.00 0.00 O ATOM 492 CB ASN A 34 -4.850 -4.429 1.941 1.00 0.00 C ATOM 493 CG ASN A 34 -5.550 -5.710 1.532 1.00 0.00 C ATOM 494 OD1 ASN A 34 -4.927 -6.767 1.433 1.00 0.00 O ATOM 495 ND2 ASN A 34 -6.853 -5.621 1.291 1.00 0.00 N ATOM 0 H ASN A 34 -4.890 -3.449 4.555 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.540 -5.659 3.120 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -5.596 -3.676 2.197 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -4.284 -4.041 1.094 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -7.378 -6.450 1.011 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -7.329 -4.724 1.386 1.00 0.00 H new ATOM 502 N PHE A 35 -1.622 -4.193 2.447 1.00 0.00 N ATOM 503 CA PHE A 35 -0.413 -3.396 2.277 1.00 0.00 C ATOM 504 C PHE A 35 -0.531 -2.481 1.061 1.00 0.00 C ATOM 505 O PHE A 35 -0.518 -2.943 -0.080 1.00 0.00 O ATOM 506 CB PHE A 35 0.807 -4.307 2.127 1.00 0.00 C ATOM 507 CG PHE A 35 1.984 -3.632 1.482 1.00 0.00 C ATOM 508 CD1 PHE A 35 2.185 -2.270 1.630 1.00 0.00 C ATOM 509 CD2 PHE A 35 2.888 -4.361 0.726 1.00 0.00 C ATOM 510 CE1 PHE A 35 3.267 -1.646 1.038 1.00 0.00 C ATOM 511 CE2 PHE A 35 3.972 -3.743 0.132 1.00 0.00 C ATOM 512 CZ PHE A 35 4.161 -2.383 0.287 1.00 0.00 C ATOM 0 H PHE A 35 -1.550 -5.149 2.098 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.288 -2.777 3.165 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.102 -4.671 3.111 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.529 -5.179 1.535 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.488 -1.688 2.215 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.744 -5.424 0.600 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.413 -0.583 1.163 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.671 -4.323 -0.453 1.00 0.00 H new ATOM 0 HZ PHE A 35 5.006 -1.898 -0.178 1.00 0.00 H new ATOM 522 N ARG A 36 -0.647 -1.182 1.315 1.00 0.00 N ATOM 523 CA ARG A 36 -0.769 -0.202 0.242 1.00 0.00 C ATOM 524 C ARG A 36 0.411 0.765 0.252 1.00 0.00 C ATOM 525 O ARG A 36 1.330 0.631 1.060 1.00 0.00 O ATOM 526 CB ARG A 36 -2.080 0.575 0.379 1.00 0.00 C ATOM 527 CG ARG A 36 -2.261 1.228 1.739 1.00 0.00 C ATOM 528 CD ARG A 36 -3.420 2.213 1.735 1.00 0.00 C ATOM 529 NE ARG A 36 -3.727 2.703 3.076 1.00 0.00 N ATOM 530 CZ ARG A 36 -4.627 3.649 3.324 1.00 0.00 C ATOM 531 NH1 ARG A 36 -5.304 4.202 2.328 1.00 0.00 N ATOM 532 NH2 ARG A 36 -4.850 4.042 4.572 1.00 0.00 N ATOM 0 H ARG A 36 -0.659 -0.784 2.254 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.769 -0.738 -0.707 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.119 1.344 -0.392 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.915 -0.102 0.196 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.438 0.460 2.492 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.344 1.745 2.020 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.177 3.056 1.088 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.303 1.732 1.314 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.224 2.297 3.865 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.135 3.902 1.368 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.994 4.928 2.521 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.331 3.618 5.341 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.541 4.768 4.762 1.00 0.00 H new ATOM 546 N LEU A 37 0.379 1.738 -0.652 1.00 0.00 N ATOM 547 CA LEU A 37 1.446 2.728 -0.748 1.00 0.00 C ATOM 548 C LEU A 37 0.879 4.115 -1.031 1.00 0.00 C ATOM 549 O LEU A 37 0.066 4.292 -1.938 1.00 0.00 O ATOM 550 CB LEU A 37 2.435 2.335 -1.848 1.00 0.00 C ATOM 551 CG LEU A 37 3.347 1.148 -1.538 1.00 0.00 C ATOM 552 CD1 LEU A 37 4.167 0.771 -2.762 1.00 0.00 C ATOM 553 CD2 LEU A 37 4.257 1.467 -0.361 1.00 0.00 C ATOM 0 H LEU A 37 -0.374 1.863 -1.329 1.00 0.00 H new ATOM 0 HA LEU A 37 1.968 2.758 0.209 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.870 2.107 -2.752 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.060 3.199 -2.072 1.00 0.00 H new ATOM 0 HG LEU A 37 2.723 0.296 -1.268 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.810 -0.076 -2.522 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.498 0.499 -3.578 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.781 1.619 -3.064 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.899 0.611 -0.155 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.874 2.333 -0.602 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.651 1.686 0.518 1.00 0.00 H new ATOM 565 N GLY A 38 1.314 5.098 -0.248 1.00 0.00 N ATOM 566 CA GLY A 38 0.841 6.457 -0.431 1.00 0.00 C ATOM 567 C GLY A 38 1.939 7.398 -0.887 1.00 0.00 C ATOM 568 O GLY A 38 2.755 7.847 -0.082 1.00 0.00 O ATOM 0 H GLY A 38 1.986 4.977 0.510 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.035 6.462 -1.165 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.421 6.821 0.506 1.00 0.00 H new ATOM 572 N LYS A 39 1.962 7.695 -2.181 1.00 0.00 N ATOM 573 CA LYS A 39 2.968 8.588 -2.744 1.00 0.00 C ATOM 574 C LYS A 39 2.677 10.039 -2.374 1.00 0.00 C ATOM 575 O LYS A 39 1.926 10.728 -3.067 1.00 0.00 O ATOM 576 CB LYS A 39 3.018 8.439 -4.266 1.00 0.00 C ATOM 577 CG LYS A 39 4.119 9.254 -4.922 1.00 0.00 C ATOM 578 CD LYS A 39 4.172 9.015 -6.421 1.00 0.00 C ATOM 579 CE LYS A 39 5.526 9.401 -6.999 1.00 0.00 C ATOM 580 NZ LYS A 39 5.415 9.862 -8.411 1.00 0.00 N ATOM 0 H LYS A 39 1.295 7.330 -2.861 1.00 0.00 H new ATOM 0 HA LYS A 39 3.936 8.312 -2.326 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.159 7.387 -4.515 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.057 8.740 -4.684 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.954 10.314 -4.727 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.080 8.994 -4.477 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.972 7.964 -6.630 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.388 9.593 -6.911 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.968 10.192 -6.392 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.200 8.546 -6.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.358 10.116 -8.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.017 9.099 -8.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.792 10.694 -8.457 1.00 0.00 H new ATOM 594 N LEU A 40 3.274 10.497 -1.280 1.00 0.00 N ATOM 595 CA LEU A 40 3.080 11.867 -0.819 1.00 0.00 C ATOM 596 C LEU A 40 3.544 12.868 -1.873 1.00 0.00 C ATOM 597 O LEU A 40 4.682 12.810 -2.340 1.00 0.00 O ATOM 598 CB LEU A 40 3.838 12.099 0.489 1.00 0.00 C ATOM 599 CG LEU A 40 3.588 11.077 1.599 1.00 0.00 C ATOM 600 CD1 LEU A 40 4.518 11.330 2.776 1.00 0.00 C ATOM 601 CD2 LEU A 40 2.134 11.120 2.046 1.00 0.00 C ATOM 0 H LEU A 40 3.897 9.940 -0.695 1.00 0.00 H new ATOM 0 HA LEU A 40 2.014 12.017 -0.646 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.906 12.114 0.269 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.577 13.087 0.867 1.00 0.00 H new ATOM 0 HG LEU A 40 3.796 10.082 1.205 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.326 10.593 3.556 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.554 11.247 2.446 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.342 12.331 3.170 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.974 10.386 2.836 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.898 12.116 2.422 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.486 10.889 1.200 1.00 0.00 H new ATOM 613 N VAL A 41 2.657 13.786 -2.241 1.00 0.00 N ATOM 614 CA VAL A 41 2.977 14.802 -3.237 1.00 0.00 C ATOM 615 C VAL A 41 2.837 16.204 -2.657 1.00 0.00 C ATOM 616 O VAL A 41 1.740 16.632 -2.299 1.00 0.00 O ATOM 617 CB VAL A 41 2.070 14.679 -4.476 1.00 0.00 C ATOM 618 CG1 VAL A 41 2.320 13.361 -5.193 1.00 0.00 C ATOM 619 CG2 VAL A 41 0.607 14.809 -4.079 1.00 0.00 C ATOM 0 H VAL A 41 1.711 13.847 -1.865 1.00 0.00 H new ATOM 0 HA VAL A 41 4.012 14.637 -3.535 1.00 0.00 H new ATOM 0 HB VAL A 41 2.311 15.490 -5.163 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.670 13.292 -6.065 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.361 13.312 -5.511 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.108 12.533 -4.517 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.020 14.720 -4.966 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.350 14.020 -3.372 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.441 15.781 -3.614 1.00 0.00 H new ATOM 629 N GLN A 42 3.957 16.915 -2.566 1.00 0.00 N ATOM 630 CA GLN A 42 3.959 18.271 -2.028 1.00 0.00 C ATOM 631 C GLN A 42 3.251 19.233 -2.975 1.00 0.00 C ATOM 632 O GLN A 42 3.641 19.380 -4.133 1.00 0.00 O ATOM 633 CB GLN A 42 5.393 18.742 -1.781 1.00 0.00 C ATOM 634 CG GLN A 42 6.189 17.819 -0.872 1.00 0.00 C ATOM 635 CD GLN A 42 7.677 18.109 -0.903 1.00 0.00 C ATOM 636 OE1 GLN A 42 8.472 17.288 -1.361 1.00 0.00 O ATOM 637 NE2 GLN A 42 8.061 19.282 -0.415 1.00 0.00 N ATOM 0 H GLN A 42 4.873 16.575 -2.857 1.00 0.00 H new ATOM 0 HA GLN A 42 3.420 18.260 -1.081 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.908 18.829 -2.738 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.368 19.739 -1.341 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.825 17.919 0.150 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.018 16.785 -1.171 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.368 19.932 -0.045 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.050 19.533 -0.410 1.00 0.00 H new ATOM 646 N SER A 43 2.208 19.888 -2.475 1.00 0.00 N ATOM 647 CA SER A 43 1.442 20.834 -3.278 1.00 0.00 C ATOM 648 C SER A 43 1.130 22.096 -2.480 1.00 0.00 C ATOM 649 O SER A 43 1.395 22.168 -1.279 1.00 0.00 O ATOM 650 CB SER A 43 0.142 20.189 -3.763 1.00 0.00 C ATOM 651 OG SER A 43 0.405 19.020 -4.520 1.00 0.00 O ATOM 0 H SER A 43 1.874 19.781 -1.517 1.00 0.00 H new ATOM 0 HA SER A 43 2.046 21.111 -4.142 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.485 19.939 -2.907 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.417 20.901 -4.370 1.00 0.00 H new ATOM 0 HG SER A 43 0.417 19.244 -5.474 1.00 0.00 H new ATOM 657 N THR A 44 0.563 23.091 -3.155 1.00 0.00 N ATOM 658 CA THR A 44 0.215 24.351 -2.511 1.00 0.00 C ATOM 659 C THR A 44 -0.599 24.115 -1.245 1.00 0.00 C ATOM 660 O THR A 44 -1.009 22.982 -0.996 1.00 0.00 O ATOM 661 CB THR A 44 -0.585 25.265 -3.460 1.00 0.00 C ATOM 662 OG1 THR A 44 -1.721 24.561 -3.974 1.00 0.00 O ATOM 663 CG2 THR A 44 0.286 25.744 -4.611 1.00 0.00 C ATOM 0 H THR A 44 0.335 23.048 -4.148 1.00 0.00 H new ATOM 0 HA THR A 44 1.153 24.842 -2.250 1.00 0.00 H new ATOM 0 HB THR A 44 -0.922 26.134 -2.895 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.225 25.148 -4.575 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.300 26.387 -5.267 1.00 0.00 H new ATOM 0 HG22 THR A 44 1.134 26.304 -4.217 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.649 24.885 -5.175 1.00 0.00 H new ATOM 671 N HIS A 45 -0.815 25.176 -0.481 1.00 0.00 N ATOM 672 CA HIS A 45 -1.579 25.069 0.750 1.00 0.00 C ATOM 673 C HIS A 45 -2.734 24.085 0.553 1.00 0.00 C ATOM 674 O HIS A 45 -2.902 23.117 1.295 1.00 0.00 O ATOM 675 CB HIS A 45 -2.048 26.447 1.220 1.00 0.00 C ATOM 676 CG HIS A 45 -1.028 27.543 1.024 1.00 0.00 C ATOM 677 ND1 HIS A 45 -0.739 28.306 -0.069 1.00 0.00 N flip ATOM 678 CD2 HIS A 45 -0.167 27.955 2.027 1.00 0.00 C flip ATOM 679 CE1 HIS A 45 0.244 29.140 0.250 1.00 0.00 C flip ATOM 680 NE2 HIS A 45 0.600 28.923 1.548 1.00 0.00 N flip ATOM 0 H HIS A 45 -0.474 26.114 -0.691 1.00 0.00 H new ATOM 0 HA HIS A 45 -0.944 24.676 1.544 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -2.959 26.712 0.683 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -2.307 26.390 2.277 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -0.127 27.555 3.029 1.00 0.00 H new ATOM 0 HE1 HIS A 45 0.688 29.870 -0.410 1.00 0.00 H new ATOM 0 HE2 HIS A 45 1.329 29.419 2.060 1.00 0.00 H new ATOM 688 N PHE A 46 -3.534 24.357 -0.473 1.00 0.00 N ATOM 689 CA PHE A 46 -4.681 23.514 -0.792 1.00 0.00 C ATOM 690 C PHE A 46 -4.228 22.154 -1.316 1.00 0.00 C ATOM 691 O PHE A 46 -3.448 22.071 -2.265 1.00 0.00 O ATOM 692 CB PHE A 46 -5.573 24.201 -1.828 1.00 0.00 C ATOM 693 CG PHE A 46 -6.401 25.318 -1.260 1.00 0.00 C ATOM 694 CD1 PHE A 46 -7.256 25.092 -0.194 1.00 0.00 C ATOM 695 CD2 PHE A 46 -6.324 26.595 -1.793 1.00 0.00 C ATOM 696 CE1 PHE A 46 -8.019 26.118 0.331 1.00 0.00 C ATOM 697 CE2 PHE A 46 -7.084 27.625 -1.272 1.00 0.00 C ATOM 698 CZ PHE A 46 -7.933 27.386 -0.209 1.00 0.00 C ATOM 0 H PHE A 46 -3.409 25.154 -1.097 1.00 0.00 H new ATOM 0 HA PHE A 46 -5.252 23.359 0.123 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.948 24.594 -2.630 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -6.235 23.459 -2.274 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -7.327 24.102 0.232 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -5.663 26.787 -2.625 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -8.682 25.928 1.162 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -7.014 28.616 -1.696 1.00 0.00 H new ATOM 0 HZ PHE A 46 -8.528 28.189 0.199 1.00 0.00 H new ATOM 708 N ASP A 47 -4.722 21.092 -0.690 1.00 0.00 N ATOM 709 CA ASP A 47 -4.369 19.735 -1.092 1.00 0.00 C ATOM 710 C ASP A 47 -2.865 19.508 -0.977 1.00 0.00 C ATOM 711 O ASP A 47 -2.259 18.853 -1.824 1.00 0.00 O ATOM 712 CB ASP A 47 -4.829 19.470 -2.527 1.00 0.00 C ATOM 713 CG ASP A 47 -6.269 19.002 -2.596 1.00 0.00 C ATOM 714 OD1 ASP A 47 -7.175 19.835 -2.382 1.00 0.00 O ATOM 715 OD2 ASP A 47 -6.491 17.803 -2.865 1.00 0.00 O ATOM 0 H ASP A 47 -5.368 21.144 0.098 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.875 19.040 -0.422 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.717 20.381 -3.115 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.183 18.717 -2.979 1.00 0.00 H new ATOM 720 N GLY A 48 -2.268 20.055 0.078 1.00 0.00 N ATOM 721 CA GLY A 48 -0.840 19.901 0.284 1.00 0.00 C ATOM 722 C GLY A 48 -0.478 18.541 0.847 1.00 0.00 C ATOM 723 O GLY A 48 -1.201 17.995 1.680 1.00 0.00 O ATOM 0 H GLY A 48 -2.748 20.602 0.793 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.322 20.048 -0.663 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.488 20.677 0.964 1.00 0.00 H new ATOM 727 N ILE A 49 0.642 17.992 0.389 1.00 0.00 N ATOM 728 CA ILE A 49 1.098 16.687 0.852 1.00 0.00 C ATOM 729 C ILE A 49 -0.023 15.656 0.777 1.00 0.00 C ATOM 730 O ILE A 49 -0.350 15.007 1.771 1.00 0.00 O ATOM 731 CB ILE A 49 1.623 16.755 2.298 1.00 0.00 C ATOM 732 CG1 ILE A 49 2.569 17.946 2.465 1.00 0.00 C ATOM 733 CG2 ILE A 49 2.326 15.457 2.667 1.00 0.00 C ATOM 734 CD1 ILE A 49 3.940 17.717 1.869 1.00 0.00 C ATOM 0 H ILE A 49 1.250 18.431 -0.302 1.00 0.00 H new ATOM 0 HA ILE A 49 1.912 16.384 0.193 1.00 0.00 H new ATOM 0 HB ILE A 49 0.776 16.891 2.971 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.121 18.824 1.999 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.676 18.169 3.527 1.00 0.00 H new ATOM 0 HG21 ILE A 49 2.692 15.520 3.692 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.625 14.627 2.582 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.166 15.293 1.992 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.557 18.602 2.024 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.408 16.859 2.352 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.845 17.524 0.800 1.00 0.00 H new ATOM 746 N MET A 50 -0.607 15.509 -0.407 1.00 0.00 N ATOM 747 CA MET A 50 -1.689 14.553 -0.612 1.00 0.00 C ATOM 748 C MET A 50 -1.139 13.150 -0.844 1.00 0.00 C ATOM 749 O MET A 50 -0.529 12.858 -1.873 1.00 0.00 O ATOM 750 CB MET A 50 -2.554 14.977 -1.801 1.00 0.00 C ATOM 751 CG MET A 50 -3.856 14.200 -1.913 1.00 0.00 C ATOM 752 SD MET A 50 -5.210 14.979 -1.013 1.00 0.00 S ATOM 753 CE MET A 50 -5.304 13.928 0.434 1.00 0.00 C ATOM 0 H MET A 50 -0.349 16.039 -1.239 1.00 0.00 H new ATOM 0 HA MET A 50 -2.303 14.539 0.289 1.00 0.00 H new ATOM 0 HB2 MET A 50 -2.781 16.040 -1.714 1.00 0.00 H new ATOM 0 HB3 MET A 50 -1.983 14.847 -2.720 1.00 0.00 H new ATOM 0 HG2 MET A 50 -4.130 14.107 -2.964 1.00 0.00 H new ATOM 0 HG3 MET A 50 -3.706 13.190 -1.532 1.00 0.00 H new ATOM 0 HE1 MET A 50 -6.334 13.889 0.789 1.00 0.00 H new ATOM 0 HE2 MET A 50 -4.970 12.923 0.176 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.665 14.332 1.219 1.00 0.00 H new ATOM 763 N PRO A 51 -1.358 12.258 0.134 1.00 0.00 N ATOM 764 CA PRO A 51 -0.892 10.871 0.059 1.00 0.00 C ATOM 765 C PRO A 51 -1.652 10.059 -0.985 1.00 0.00 C ATOM 766 O PRO A 51 -2.744 9.558 -0.719 1.00 0.00 O ATOM 767 CB PRO A 51 -1.167 10.327 1.463 1.00 0.00 C ATOM 768 CG PRO A 51 -2.279 11.171 1.984 1.00 0.00 C ATOM 769 CD PRO A 51 -2.077 12.536 1.388 1.00 0.00 C ATOM 0 HA PRO A 51 0.155 10.809 -0.239 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -1.450 9.275 1.432 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -0.283 10.401 2.097 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.247 10.760 1.699 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -2.259 11.214 3.073 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -3.027 13.038 1.204 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -1.498 13.181 2.049 1.00 0.00 H new ATOM 777 N MET A 52 -1.067 9.934 -2.172 1.00 0.00 N ATOM 778 CA MET A 52 -1.690 9.181 -3.254 1.00 0.00 C ATOM 779 C MET A 52 -1.783 7.700 -2.904 1.00 0.00 C ATOM 780 O MET A 52 -0.831 6.945 -3.104 1.00 0.00 O ATOM 781 CB MET A 52 -0.899 9.362 -4.551 1.00 0.00 C ATOM 782 CG MET A 52 -0.986 10.767 -5.125 1.00 0.00 C ATOM 783 SD MET A 52 -2.349 10.957 -6.290 1.00 0.00 S ATOM 784 CE MET A 52 -1.458 11.347 -7.794 1.00 0.00 C ATOM 0 H MET A 52 -0.163 10.344 -2.409 1.00 0.00 H new ATOM 0 HA MET A 52 -2.700 9.566 -3.396 1.00 0.00 H new ATOM 0 HB2 MET A 52 0.147 9.118 -4.366 1.00 0.00 H new ATOM 0 HB3 MET A 52 -1.265 8.652 -5.293 1.00 0.00 H new ATOM 0 HG2 MET A 52 -1.107 11.481 -4.311 1.00 0.00 H new ATOM 0 HG3 MET A 52 -0.049 11.010 -5.626 1.00 0.00 H new ATOM 0 HE1 MET A 52 -2.167 11.493 -8.609 1.00 0.00 H new ATOM 0 HE2 MET A 52 -0.879 12.259 -7.648 1.00 0.00 H new ATOM 0 HE3 MET A 52 -0.785 10.526 -8.041 1.00 0.00 H new ATOM 794 N TRP A 53 -2.932 7.291 -2.380 1.00 0.00 N ATOM 795 CA TRP A 53 -3.148 5.899 -2.001 1.00 0.00 C ATOM 796 C TRP A 53 -3.239 5.007 -3.234 1.00 0.00 C ATOM 797 O TRP A 53 -4.021 5.272 -4.146 1.00 0.00 O ATOM 798 CB TRP A 53 -4.422 5.768 -1.166 1.00 0.00 C ATOM 799 CG TRP A 53 -4.338 6.461 0.160 1.00 0.00 C ATOM 800 CD1 TRP A 53 -5.175 7.432 0.631 1.00 0.00 C ATOM 801 CD2 TRP A 53 -3.362 6.239 1.183 1.00 0.00 C ATOM 802 NE1 TRP A 53 -4.778 7.827 1.886 1.00 0.00 N ATOM 803 CE2 TRP A 53 -3.669 7.109 2.248 1.00 0.00 C ATOM 804 CE3 TRP A 53 -2.261 5.387 1.305 1.00 0.00 C ATOM 805 CZ2 TRP A 53 -2.912 7.151 3.416 1.00 0.00 C ATOM 806 CZ3 TRP A 53 -1.510 5.431 2.465 1.00 0.00 C ATOM 807 CH2 TRP A 53 -1.839 6.307 3.508 1.00 0.00 C ATOM 0 H TRP A 53 -3.729 7.903 -2.208 1.00 0.00 H new ATOM 0 HA TRP A 53 -2.296 5.575 -1.403 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -5.260 6.178 -1.729 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -4.634 4.711 -1.003 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -6.024 7.831 0.096 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -5.235 8.539 2.455 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -2.001 4.706 0.508 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -3.163 7.826 4.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -0.655 4.779 2.569 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -1.234 6.316 4.402 1.00 0.00 H new ATOM 818 N ASN A 54 -2.434 3.950 -3.256 1.00 0.00 N ATOM 819 CA ASN A 54 -2.424 3.019 -4.378 1.00 0.00 C ATOM 820 C ASN A 54 -1.938 1.642 -3.939 1.00 0.00 C ATOM 821 O ASN A 54 -0.915 1.552 -3.261 1.00 0.00 O ATOM 822 CB ASN A 54 -1.533 3.552 -5.502 1.00 0.00 C ATOM 823 CG ASN A 54 -1.816 5.007 -5.824 1.00 0.00 C ATOM 824 OD1 ASN A 54 -2.874 5.342 -6.356 1.00 0.00 O ATOM 825 ND2 ASN A 54 -0.868 5.879 -5.501 1.00 0.00 N ATOM 0 H ASN A 54 -1.780 3.717 -2.509 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.445 2.923 -4.747 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -0.487 3.443 -5.215 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.683 2.949 -6.397 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.002 6.872 -5.693 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.006 5.556 -5.061 1.00 0.00 H new ATOM 832 N HIS A 55 -2.672 0.610 -4.330 1.00 0.00 N ATOM 833 CA HIS A 55 -2.305 -0.749 -3.970 1.00 0.00 C ATOM 834 C HIS A 55 -0.802 -0.947 -4.180 1.00 0.00 C ATOM 835 O HIS A 55 -0.227 -0.550 -5.193 1.00 0.00 O ATOM 836 CB HIS A 55 -3.150 -1.763 -4.744 1.00 0.00 C ATOM 837 CG HIS A 55 -4.636 -1.622 -4.518 1.00 0.00 C ATOM 838 ND1 HIS A 55 -5.463 -0.923 -5.380 1.00 0.00 N ATOM 839 CD2 HIS A 55 -5.435 -2.100 -3.521 1.00 0.00 C ATOM 840 CE1 HIS A 55 -6.701 -0.982 -4.912 1.00 0.00 C ATOM 841 NE2 HIS A 55 -6.682 -1.711 -3.759 1.00 0.00 N ATOM 0 H HIS A 55 -3.519 0.688 -4.893 1.00 0.00 H new ATOM 0 HA HIS A 55 -2.515 -0.919 -2.914 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -2.943 -1.656 -5.809 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.843 -2.769 -4.459 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -5.109 -2.694 -2.680 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -7.572 -0.532 -5.364 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -7.492 -1.922 -3.176 1.00 0.00 H new ATOM 849 N ALA A 56 -0.175 -1.575 -3.191 1.00 0.00 N ATOM 850 CA ALA A 56 1.257 -1.841 -3.242 1.00 0.00 C ATOM 851 C ALA A 56 1.636 -2.561 -4.531 1.00 0.00 C ATOM 852 O ALA A 56 2.775 -2.475 -4.990 1.00 0.00 O ATOM 853 CB ALA A 56 1.685 -2.660 -2.032 1.00 0.00 C ATOM 0 H ALA A 56 -0.636 -1.909 -2.345 1.00 0.00 H new ATOM 0 HA ALA A 56 1.780 -0.885 -3.224 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.757 -2.851 -2.083 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.458 -2.108 -1.120 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.147 -3.608 -2.026 1.00 0.00 H new ATOM 859 N SER A 57 0.674 -3.272 -5.111 1.00 0.00 N ATOM 860 CA SER A 57 0.909 -4.011 -6.346 1.00 0.00 C ATOM 861 C SER A 57 0.662 -3.126 -7.564 1.00 0.00 C ATOM 862 O SER A 57 1.176 -3.389 -8.652 1.00 0.00 O ATOM 863 CB SER A 57 0.005 -5.244 -6.407 1.00 0.00 C ATOM 864 OG SER A 57 0.552 -6.236 -7.259 1.00 0.00 O ATOM 0 H SER A 57 -0.275 -3.352 -4.746 1.00 0.00 H new ATOM 0 HA SER A 57 1.951 -4.331 -6.356 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.126 -5.653 -5.405 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.983 -4.957 -6.766 1.00 0.00 H new ATOM 0 HG SER A 57 -0.044 -7.014 -7.280 1.00 0.00 H new ATOM 870 N CYS A 58 -0.128 -2.075 -7.374 1.00 0.00 N ATOM 871 CA CYS A 58 -0.444 -1.150 -8.455 1.00 0.00 C ATOM 872 C CYS A 58 0.729 -0.213 -8.731 1.00 0.00 C ATOM 873 O CYS A 58 0.925 0.236 -9.860 1.00 0.00 O ATOM 874 CB CYS A 58 -1.691 -0.334 -8.107 1.00 0.00 C ATOM 875 SG CYS A 58 -3.258 -1.234 -8.341 1.00 0.00 S ATOM 0 H CYS A 58 -0.561 -1.843 -6.480 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.638 -1.734 -9.354 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -1.622 -0.010 -7.069 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -1.706 0.566 -8.721 1.00 0.00 H new ATOM 880 N ILE A 59 1.504 0.076 -7.691 1.00 0.00 N ATOM 881 CA ILE A 59 2.658 0.957 -7.822 1.00 0.00 C ATOM 882 C ILE A 59 3.879 0.193 -8.322 1.00 0.00 C ATOM 883 O ILE A 59 4.497 0.572 -9.318 1.00 0.00 O ATOM 884 CB ILE A 59 3.004 1.634 -6.483 1.00 0.00 C ATOM 885 CG1 ILE A 59 1.786 2.382 -5.935 1.00 0.00 C ATOM 886 CG2 ILE A 59 4.180 2.583 -6.657 1.00 0.00 C ATOM 887 CD1 ILE A 59 1.354 3.546 -6.798 1.00 0.00 C ATOM 0 H ILE A 59 1.354 -0.287 -6.749 1.00 0.00 H new ATOM 0 HA ILE A 59 2.389 1.723 -8.549 1.00 0.00 H new ATOM 0 HB ILE A 59 3.287 0.863 -5.766 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.955 1.684 -5.838 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.014 2.747 -4.934 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.412 3.054 -5.702 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.049 2.026 -7.008 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.923 3.351 -7.387 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.486 4.029 -6.349 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.170 4.264 -6.875 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.094 3.184 -7.793 1.00 0.00 H new ATOM 899 N LEU A 60 4.221 -0.886 -7.627 1.00 0.00 N ATOM 900 CA LEU A 60 5.368 -1.706 -8.001 1.00 0.00 C ATOM 901 C LEU A 60 5.291 -2.113 -9.469 1.00 0.00 C ATOM 902 O LEU A 60 6.303 -2.150 -10.169 1.00 0.00 O ATOM 903 CB LEU A 60 5.439 -2.953 -7.117 1.00 0.00 C ATOM 904 CG LEU A 60 5.651 -2.706 -5.624 1.00 0.00 C ATOM 905 CD1 LEU A 60 5.493 -4.000 -4.841 1.00 0.00 C ATOM 906 CD2 LEU A 60 7.022 -2.093 -5.374 1.00 0.00 C ATOM 0 H LEU A 60 3.720 -1.214 -6.801 1.00 0.00 H new ATOM 0 HA LEU A 60 6.271 -1.113 -7.854 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.515 -3.517 -7.244 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.250 -3.585 -7.479 1.00 0.00 H new ATOM 0 HG LEU A 60 4.892 -2.003 -5.280 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.647 -3.804 -3.780 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.490 -4.398 -4.994 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.228 -4.727 -5.187 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.156 -1.924 -4.306 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.795 -2.772 -5.733 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.098 -1.143 -5.904 1.00 0.00 H new ATOM 918 N LYS A 61 4.082 -2.416 -9.931 1.00 0.00 N ATOM 919 CA LYS A 61 3.870 -2.817 -11.316 1.00 0.00 C ATOM 920 C LYS A 61 4.212 -1.677 -12.271 1.00 0.00 C ATOM 921 O LYS A 61 4.600 -1.907 -13.416 1.00 0.00 O ATOM 922 CB LYS A 61 2.419 -3.254 -11.526 1.00 0.00 C ATOM 923 CG LYS A 61 1.429 -2.101 -11.521 1.00 0.00 C ATOM 924 CD LYS A 61 0.193 -2.424 -12.344 1.00 0.00 C ATOM 925 CE LYS A 61 -0.815 -1.286 -12.305 1.00 0.00 C ATOM 926 NZ LYS A 61 -2.171 -1.731 -12.729 1.00 0.00 N ATOM 0 H LYS A 61 3.234 -2.391 -9.365 1.00 0.00 H new ATOM 0 HA LYS A 61 4.530 -3.657 -11.530 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.342 -3.784 -12.475 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.144 -3.961 -10.743 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.136 -1.876 -10.495 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.909 -1.207 -11.919 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.483 -2.620 -13.376 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.270 -3.335 -11.965 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.865 -0.880 -11.295 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.477 -0.480 -12.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.829 -0.926 -12.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.128 -2.095 -13.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.504 -2.483 -12.093 1.00 0.00 H new ATOM 940 N LYS A 62 4.066 -0.446 -11.791 1.00 0.00 N ATOM 941 CA LYS A 62 4.362 0.730 -12.600 1.00 0.00 C ATOM 942 C LYS A 62 5.862 1.004 -12.635 1.00 0.00 C ATOM 943 O LYS A 62 6.648 0.299 -12.001 1.00 0.00 O ATOM 944 CB LYS A 62 3.622 1.952 -12.050 1.00 0.00 C ATOM 945 CG LYS A 62 2.146 1.981 -12.407 1.00 0.00 C ATOM 946 CD LYS A 62 1.310 2.553 -11.275 1.00 0.00 C ATOM 947 CE LYS A 62 1.299 4.074 -11.303 1.00 0.00 C ATOM 948 NZ LYS A 62 0.738 4.602 -12.577 1.00 0.00 N ATOM 0 H LYS A 62 3.744 -0.237 -10.846 1.00 0.00 H new ATOM 0 HA LYS A 62 4.023 0.535 -13.617 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.725 1.971 -10.965 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.097 2.856 -12.431 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.000 2.579 -13.307 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.806 0.971 -12.637 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.289 2.179 -11.351 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.705 2.209 -10.319 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.711 4.448 -10.465 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.315 4.447 -11.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.310 5.535 -12.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.499 4.692 -13.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.012 3.948 -12.934 1.00 0.00 H new ATOM 962 N THR A 63 6.254 2.034 -13.378 1.00 0.00 N ATOM 963 CA THR A 63 7.660 2.402 -13.494 1.00 0.00 C ATOM 964 C THR A 63 7.908 3.806 -12.956 1.00 0.00 C ATOM 965 O THR A 63 7.005 4.643 -12.934 1.00 0.00 O ATOM 966 CB THR A 63 8.139 2.333 -14.956 1.00 0.00 C ATOM 967 OG1 THR A 63 7.449 1.287 -15.650 1.00 0.00 O ATOM 968 CG2 THR A 63 9.639 2.088 -15.023 1.00 0.00 C ATOM 0 H THR A 63 5.617 2.629 -13.909 1.00 0.00 H new ATOM 0 HA THR A 63 8.225 1.684 -12.899 1.00 0.00 H new ATOM 0 HB THR A 63 7.921 3.289 -15.431 1.00 0.00 H new ATOM 0 HG1 THR A 63 7.758 1.251 -16.579 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.954 2.043 -16.065 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.163 2.901 -14.520 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.876 1.144 -14.531 1.00 0.00 H new ATOM 976 N LYS A 64 9.138 4.060 -12.522 1.00 0.00 N ATOM 977 CA LYS A 64 9.506 5.364 -11.984 1.00 0.00 C ATOM 978 C LYS A 64 8.582 5.761 -10.838 1.00 0.00 C ATOM 979 O LYS A 64 8.021 6.857 -10.833 1.00 0.00 O ATOM 980 CB LYS A 64 9.455 6.425 -13.086 1.00 0.00 C ATOM 981 CG LYS A 64 10.301 6.083 -14.300 1.00 0.00 C ATOM 982 CD LYS A 64 10.738 7.333 -15.046 1.00 0.00 C ATOM 983 CE LYS A 64 11.040 7.034 -16.506 1.00 0.00 C ATOM 984 NZ LYS A 64 9.828 7.164 -17.362 1.00 0.00 N ATOM 0 H LYS A 64 9.897 3.379 -12.532 1.00 0.00 H new ATOM 0 HA LYS A 64 10.524 5.297 -11.599 1.00 0.00 H new ATOM 0 HB2 LYS A 64 8.420 6.560 -13.401 1.00 0.00 H new ATOM 0 HB3 LYS A 64 9.790 7.378 -12.677 1.00 0.00 H new ATOM 0 HG2 LYS A 64 11.180 5.520 -13.985 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.733 5.438 -14.970 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.955 8.088 -14.983 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.624 7.752 -14.569 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.812 7.715 -16.864 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.440 6.024 -16.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.076 6.952 -18.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.100 6.496 -17.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.460 8.135 -17.298 1.00 0.00 H new ATOM 998 N GLN A 65 8.429 4.864 -9.869 1.00 0.00 N ATOM 999 CA GLN A 65 7.573 5.123 -8.717 1.00 0.00 C ATOM 1000 C GLN A 65 8.407 5.375 -7.465 1.00 0.00 C ATOM 1001 O GLN A 65 8.289 6.424 -6.830 1.00 0.00 O ATOM 1002 CB GLN A 65 6.626 3.945 -8.485 1.00 0.00 C ATOM 1003 CG GLN A 65 5.866 3.521 -9.731 1.00 0.00 C ATOM 1004 CD GLN A 65 4.937 4.603 -10.245 1.00 0.00 C ATOM 1005 OE1 GLN A 65 4.280 5.295 -9.466 1.00 0.00 O ATOM 1006 NE2 GLN A 65 4.877 4.755 -11.563 1.00 0.00 N ATOM 0 H GLN A 65 8.886 3.952 -9.859 1.00 0.00 H new ATOM 0 HA GLN A 65 6.985 6.017 -8.926 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.200 3.096 -8.113 1.00 0.00 H new ATOM 0 HB3 GLN A 65 5.911 4.212 -7.707 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.577 3.257 -10.513 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.287 2.624 -9.511 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.439 4.159 -12.171 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.269 5.467 -11.967 1.00 0.00 H new ATOM 1015 N ILE A 66 9.248 4.408 -7.115 1.00 0.00 N ATOM 1016 CA ILE A 66 10.101 4.525 -5.940 1.00 0.00 C ATOM 1017 C ILE A 66 11.571 4.353 -6.307 1.00 0.00 C ATOM 1018 O ILE A 66 11.934 3.439 -7.047 1.00 0.00 O ATOM 1019 CB ILE A 66 9.727 3.487 -4.866 1.00 0.00 C ATOM 1020 CG1 ILE A 66 8.268 3.664 -4.440 1.00 0.00 C ATOM 1021 CG2 ILE A 66 10.653 3.609 -3.665 1.00 0.00 C ATOM 1022 CD1 ILE A 66 7.789 2.606 -3.471 1.00 0.00 C ATOM 0 H ILE A 66 9.357 3.534 -7.629 1.00 0.00 H new ATOM 0 HA ILE A 66 9.945 5.525 -5.537 1.00 0.00 H new ATOM 0 HB ILE A 66 9.844 2.490 -5.290 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.148 4.646 -3.982 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.634 3.647 -5.327 1.00 0.00 H new ATOM 0 HG21 ILE A 66 10.375 2.868 -2.915 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.682 3.438 -3.980 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.566 4.608 -3.238 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.747 2.794 -3.213 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.876 1.623 -3.933 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.398 2.637 -2.568 1.00 0.00 H new ATOM 1034 N LYS A 67 12.413 5.237 -5.784 1.00 0.00 N ATOM 1035 CA LYS A 67 13.845 5.182 -6.054 1.00 0.00 C ATOM 1036 C LYS A 67 14.524 4.135 -5.177 1.00 0.00 C ATOM 1037 O LYS A 67 15.232 3.259 -5.675 1.00 0.00 O ATOM 1038 CB LYS A 67 14.483 6.553 -5.816 1.00 0.00 C ATOM 1039 CG LYS A 67 14.288 7.078 -4.404 1.00 0.00 C ATOM 1040 CD LYS A 67 14.556 8.571 -4.322 1.00 0.00 C ATOM 1041 CE LYS A 67 16.007 8.858 -3.966 1.00 0.00 C ATOM 1042 NZ LYS A 67 16.899 8.763 -5.155 1.00 0.00 N ATOM 0 H LYS A 67 12.129 6.001 -5.170 1.00 0.00 H new ATOM 0 HA LYS A 67 13.982 4.900 -7.098 1.00 0.00 H new ATOM 0 HB2 LYS A 67 15.551 6.489 -6.027 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.061 7.268 -6.522 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.269 6.872 -4.076 1.00 0.00 H new ATOM 0 HG3 LYS A 67 14.955 6.550 -3.723 1.00 0.00 H new ATOM 0 HD2 LYS A 67 14.315 9.038 -5.277 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.901 9.019 -3.574 1.00 0.00 H new ATOM 0 HE2 LYS A 67 16.084 9.855 -3.533 1.00 0.00 H new ATOM 0 HE3 LYS A 67 16.340 8.153 -3.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 17.827 9.174 -4.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 17.018 7.765 -5.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 16.476 9.284 -5.949 1.00 0.00 H new ATOM 1056 N SER A 68 14.303 4.231 -3.870 1.00 0.00 N ATOM 1057 CA SER A 68 14.896 3.293 -2.924 1.00 0.00 C ATOM 1058 C SER A 68 13.988 3.095 -1.713 1.00 0.00 C ATOM 1059 O SER A 68 13.218 3.984 -1.349 1.00 0.00 O ATOM 1060 CB SER A 68 16.269 3.793 -2.469 1.00 0.00 C ATOM 1061 OG SER A 68 16.709 3.097 -1.316 1.00 0.00 O ATOM 0 H SER A 68 13.718 4.949 -3.442 1.00 0.00 H new ATOM 0 HA SER A 68 15.015 2.334 -3.428 1.00 0.00 H new ATOM 0 HB2 SER A 68 16.992 3.663 -3.274 1.00 0.00 H new ATOM 0 HB3 SER A 68 16.218 4.861 -2.256 1.00 0.00 H new ATOM 0 HG SER A 68 17.589 3.434 -1.047 1.00 0.00 H new ATOM 1067 N VAL A 69 14.084 1.923 -1.094 1.00 0.00 N ATOM 1068 CA VAL A 69 13.274 1.607 0.076 1.00 0.00 C ATOM 1069 C VAL A 69 13.455 2.655 1.169 1.00 0.00 C ATOM 1070 O VAL A 69 12.572 2.855 2.003 1.00 0.00 O ATOM 1071 CB VAL A 69 13.627 0.220 0.646 1.00 0.00 C ATOM 1072 CG1 VAL A 69 13.203 -0.877 -0.319 1.00 0.00 C ATOM 1073 CG2 VAL A 69 15.115 0.132 0.947 1.00 0.00 C ATOM 0 H VAL A 69 14.715 1.176 -1.384 1.00 0.00 H new ATOM 0 HA VAL A 69 12.234 1.603 -0.251 1.00 0.00 H new ATOM 0 HB VAL A 69 13.082 0.079 1.580 1.00 0.00 H new ATOM 0 HG11 VAL A 69 13.460 -1.850 0.100 1.00 0.00 H new ATOM 0 HG12 VAL A 69 12.126 -0.824 -0.479 1.00 0.00 H new ATOM 0 HG13 VAL A 69 13.718 -0.744 -1.270 1.00 0.00 H new ATOM 0 HG21 VAL A 69 15.347 -0.854 1.349 1.00 0.00 H new ATOM 0 HG22 VAL A 69 15.682 0.293 0.030 1.00 0.00 H new ATOM 0 HG23 VAL A 69 15.384 0.894 1.678 1.00 0.00 H new ATOM 1083 N ASP A 70 14.604 3.320 1.158 1.00 0.00 N ATOM 1084 CA ASP A 70 14.901 4.349 2.147 1.00 0.00 C ATOM 1085 C ASP A 70 13.934 5.522 2.019 1.00 0.00 C ATOM 1086 O ASP A 70 13.698 6.253 2.982 1.00 0.00 O ATOM 1087 CB ASP A 70 16.341 4.840 1.987 1.00 0.00 C ATOM 1088 CG ASP A 70 16.912 5.390 3.280 1.00 0.00 C ATOM 1089 OD1 ASP A 70 16.866 4.673 4.301 1.00 0.00 O ATOM 1090 OD2 ASP A 70 17.404 6.538 3.270 1.00 0.00 O ATOM 0 H ASP A 70 15.346 3.165 0.475 1.00 0.00 H new ATOM 0 HA ASP A 70 14.782 3.910 3.138 1.00 0.00 H new ATOM 0 HB2 ASP A 70 16.966 4.018 1.638 1.00 0.00 H new ATOM 0 HB3 ASP A 70 16.375 5.614 1.220 1.00 0.00 H new ATOM 1095 N ASP A 71 13.377 5.695 0.826 1.00 0.00 N ATOM 1096 CA ASP A 71 12.435 6.779 0.571 1.00 0.00 C ATOM 1097 C ASP A 71 11.050 6.432 1.108 1.00 0.00 C ATOM 1098 O ASP A 71 10.239 7.316 1.383 1.00 0.00 O ATOM 1099 CB ASP A 71 12.356 7.074 -0.927 1.00 0.00 C ATOM 1100 CG ASP A 71 13.417 8.058 -1.380 1.00 0.00 C ATOM 1101 OD1 ASP A 71 14.575 7.634 -1.578 1.00 0.00 O ATOM 1102 OD2 ASP A 71 13.089 9.252 -1.538 1.00 0.00 O ATOM 0 H ASP A 71 13.561 5.098 0.019 1.00 0.00 H new ATOM 0 HA ASP A 71 12.794 7.668 1.089 1.00 0.00 H new ATOM 0 HB2 ASP A 71 12.466 6.143 -1.484 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.370 7.473 -1.164 1.00 0.00 H new ATOM 1107 N VAL A 72 10.785 5.137 1.253 1.00 0.00 N ATOM 1108 CA VAL A 72 9.498 4.672 1.756 1.00 0.00 C ATOM 1109 C VAL A 72 9.452 4.723 3.279 1.00 0.00 C ATOM 1110 O VAL A 72 10.373 4.261 3.953 1.00 0.00 O ATOM 1111 CB VAL A 72 9.200 3.234 1.292 1.00 0.00 C ATOM 1112 CG1 VAL A 72 7.818 2.799 1.756 1.00 0.00 C ATOM 1113 CG2 VAL A 72 9.322 3.127 -0.220 1.00 0.00 C ATOM 0 H VAL A 72 11.445 4.392 1.029 1.00 0.00 H new ATOM 0 HA VAL A 72 8.739 5.341 1.350 1.00 0.00 H new ATOM 0 HB VAL A 72 9.935 2.566 1.741 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.625 1.781 1.419 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.771 2.836 2.844 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.066 3.468 1.338 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.108 2.104 -0.531 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.611 3.806 -0.691 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.334 3.394 -0.523 1.00 0.00 H new ATOM 1123 N GLU A 73 8.374 5.287 3.815 1.00 0.00 N ATOM 1124 CA GLU A 73 8.210 5.398 5.260 1.00 0.00 C ATOM 1125 C GLU A 73 7.370 4.244 5.802 1.00 0.00 C ATOM 1126 O GLU A 73 6.561 3.659 5.083 1.00 0.00 O ATOM 1127 CB GLU A 73 7.555 6.733 5.620 1.00 0.00 C ATOM 1128 CG GLU A 73 7.645 7.076 7.098 1.00 0.00 C ATOM 1129 CD GLU A 73 6.863 8.325 7.455 1.00 0.00 C ATOM 1130 OE1 GLU A 73 5.842 8.597 6.790 1.00 0.00 O ATOM 1131 OE2 GLU A 73 7.273 9.031 8.401 1.00 0.00 O ATOM 0 H GLU A 73 7.602 5.674 3.271 1.00 0.00 H new ATOM 0 HA GLU A 73 9.198 5.352 5.717 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.027 7.527 5.042 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.506 6.705 5.325 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.271 6.237 7.685 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.691 7.216 7.372 1.00 0.00 H new ATOM 1138 N GLY A 74 7.569 3.923 7.077 1.00 0.00 N ATOM 1139 CA GLY A 74 6.824 2.841 7.694 1.00 0.00 C ATOM 1140 C GLY A 74 6.995 1.526 6.960 1.00 0.00 C ATOM 1141 O GLY A 74 6.197 0.605 7.129 1.00 0.00 O ATOM 0 H GLY A 74 8.232 4.393 7.693 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.151 2.722 8.727 1.00 0.00 H new ATOM 0 HA3 GLY A 74 5.766 3.103 7.723 1.00 0.00 H new ATOM 1145 N ILE A 75 8.039 1.439 6.141 1.00 0.00 N ATOM 1146 CA ILE A 75 8.312 0.228 5.378 1.00 0.00 C ATOM 1147 C ILE A 75 8.697 -0.926 6.298 1.00 0.00 C ATOM 1148 O ILE A 75 8.392 -2.085 6.017 1.00 0.00 O ATOM 1149 CB ILE A 75 9.439 0.450 4.353 1.00 0.00 C ATOM 1150 CG1 ILE A 75 9.502 -0.721 3.370 1.00 0.00 C ATOM 1151 CG2 ILE A 75 10.773 0.626 5.062 1.00 0.00 C ATOM 1152 CD1 ILE A 75 10.371 -0.450 2.162 1.00 0.00 C ATOM 0 H ILE A 75 8.709 2.193 5.990 1.00 0.00 H new ATOM 0 HA ILE A 75 7.394 -0.024 4.847 1.00 0.00 H new ATOM 0 HB ILE A 75 9.226 1.360 3.792 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.881 -1.601 3.890 1.00 0.00 H new ATOM 0 HG13 ILE A 75 8.492 -0.958 3.035 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.560 0.782 4.324 1.00 0.00 H new ATOM 0 HG22 ILE A 75 10.721 1.489 5.725 1.00 0.00 H new ATOM 0 HG23 ILE A 75 10.995 -0.267 5.646 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.369 -1.323 1.509 1.00 0.00 H new ATOM 0 HD12 ILE A 75 9.981 0.411 1.619 1.00 0.00 H new ATOM 0 HD13 ILE A 75 11.391 -0.242 2.487 1.00 0.00 H new ATOM 1164 N GLU A 76 9.367 -0.600 7.399 1.00 0.00 N ATOM 1165 CA GLU A 76 9.793 -1.610 8.361 1.00 0.00 C ATOM 1166 C GLU A 76 8.592 -2.221 9.076 1.00 0.00 C ATOM 1167 O GLU A 76 8.681 -3.309 9.644 1.00 0.00 O ATOM 1168 CB GLU A 76 10.753 -0.999 9.384 1.00 0.00 C ATOM 1169 CG GLU A 76 10.155 0.160 10.164 1.00 0.00 C ATOM 1170 CD GLU A 76 10.832 0.373 11.504 1.00 0.00 C ATOM 1171 OE1 GLU A 76 10.482 -0.344 12.465 1.00 0.00 O ATOM 1172 OE2 GLU A 76 11.712 1.254 11.591 1.00 0.00 O ATOM 0 H GLU A 76 9.626 0.355 7.647 1.00 0.00 H new ATOM 0 HA GLU A 76 10.309 -2.400 7.815 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.066 -1.774 10.084 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.649 -0.655 8.868 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.235 1.071 9.572 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.093 -0.024 10.323 1.00 0.00 H new ATOM 1179 N SER A 77 7.468 -1.511 9.044 1.00 0.00 N ATOM 1180 CA SER A 77 6.249 -1.981 9.692 1.00 0.00 C ATOM 1181 C SER A 77 5.517 -2.988 8.810 1.00 0.00 C ATOM 1182 O SER A 77 4.724 -3.795 9.296 1.00 0.00 O ATOM 1183 CB SER A 77 5.329 -0.801 10.011 1.00 0.00 C ATOM 1184 OG SER A 77 4.400 -1.138 11.027 1.00 0.00 O ATOM 0 H SER A 77 7.377 -0.609 8.577 1.00 0.00 H new ATOM 0 HA SER A 77 6.529 -2.476 10.622 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.926 0.054 10.329 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.794 -0.499 9.111 1.00 0.00 H new ATOM 0 HG SER A 77 3.825 -0.367 11.213 1.00 0.00 H new ATOM 1190 N LEU A 78 5.790 -2.934 7.511 1.00 0.00 N ATOM 1191 CA LEU A 78 5.158 -3.840 6.559 1.00 0.00 C ATOM 1192 C LEU A 78 5.658 -5.268 6.752 1.00 0.00 C ATOM 1193 O LEU A 78 6.773 -5.487 7.227 1.00 0.00 O ATOM 1194 CB LEU A 78 5.435 -3.381 5.126 1.00 0.00 C ATOM 1195 CG LEU A 78 5.238 -1.890 4.850 1.00 0.00 C ATOM 1196 CD1 LEU A 78 5.564 -1.568 3.400 1.00 0.00 C ATOM 1197 CD2 LEU A 78 3.814 -1.469 5.184 1.00 0.00 C ATOM 0 H LEU A 78 6.445 -2.273 7.093 1.00 0.00 H new ATOM 0 HA LEU A 78 4.083 -3.823 6.738 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.462 -3.644 4.873 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.787 -3.943 4.454 1.00 0.00 H new ATOM 0 HG LEU A 78 5.921 -1.329 5.488 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.418 -0.503 3.222 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.601 -1.832 3.193 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.907 -2.139 2.744 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.692 -0.405 4.981 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.114 -2.037 4.572 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.615 -1.663 6.238 1.00 0.00 H new ATOM 1209 N ARG A 79 4.827 -6.236 6.379 1.00 0.00 N ATOM 1210 CA ARG A 79 5.186 -7.643 6.511 1.00 0.00 C ATOM 1211 C ARG A 79 6.450 -7.959 5.717 1.00 0.00 C ATOM 1212 O ARG A 79 6.666 -7.415 4.634 1.00 0.00 O ATOM 1213 CB ARG A 79 4.035 -8.531 6.033 1.00 0.00 C ATOM 1214 CG ARG A 79 3.022 -8.852 7.120 1.00 0.00 C ATOM 1215 CD ARG A 79 3.530 -9.941 8.052 1.00 0.00 C ATOM 1216 NE ARG A 79 2.464 -10.488 8.887 1.00 0.00 N ATOM 1217 CZ ARG A 79 2.080 -9.947 10.037 1.00 0.00 C ATOM 1218 NH1 ARG A 79 2.672 -8.849 10.487 1.00 0.00 N ATOM 1219 NH2 ARG A 79 1.102 -10.503 10.740 1.00 0.00 N ATOM 0 H ARG A 79 3.901 -6.072 5.983 1.00 0.00 H new ATOM 0 HA ARG A 79 5.380 -7.846 7.564 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.524 -8.036 5.207 1.00 0.00 H new ATOM 0 HB3 ARG A 79 4.444 -9.463 5.643 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.806 -7.951 7.695 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.085 -9.171 6.663 1.00 0.00 H new ATOM 0 HD2 ARG A 79 3.977 -10.742 7.464 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.317 -9.536 8.688 1.00 0.00 H new ATOM 0 HE ARG A 79 1.988 -11.332 8.569 1.00 0.00 H new ATOM 0 HH11 ARG A 79 3.424 -8.418 9.949 1.00 0.00 H new ATOM 0 HH12 ARG A 79 2.375 -8.435 11.371 1.00 0.00 H new ATOM 0 HH21 ARG A 79 0.644 -11.347 10.397 1.00 0.00 H new ATOM 0 HH22 ARG A 79 0.808 -10.086 11.623 1.00 0.00 H new ATOM 1233 N TRP A 80 7.280 -8.840 6.262 1.00 0.00 N ATOM 1234 CA TRP A 80 8.523 -9.228 5.605 1.00 0.00 C ATOM 1235 C TRP A 80 8.335 -9.316 4.094 1.00 0.00 C ATOM 1236 O TRP A 80 9.006 -8.617 3.336 1.00 0.00 O ATOM 1237 CB TRP A 80 9.015 -10.570 6.149 1.00 0.00 C ATOM 1238 CG TRP A 80 10.033 -11.230 5.270 1.00 0.00 C ATOM 1239 CD1 TRP A 80 11.286 -10.771 4.980 1.00 0.00 C ATOM 1240 CD2 TRP A 80 9.884 -12.468 4.566 1.00 0.00 C ATOM 1241 NE1 TRP A 80 11.925 -11.649 4.137 1.00 0.00 N ATOM 1242 CE2 TRP A 80 11.086 -12.698 3.869 1.00 0.00 C ATOM 1243 CE3 TRP A 80 8.853 -13.404 4.457 1.00 0.00 C ATOM 1244 CZ2 TRP A 80 11.282 -13.826 3.076 1.00 0.00 C ATOM 1245 CZ3 TRP A 80 9.049 -14.523 3.669 1.00 0.00 C ATOM 1246 CH2 TRP A 80 10.256 -14.726 2.987 1.00 0.00 C ATOM 0 H TRP A 80 7.115 -9.300 7.158 1.00 0.00 H new ATOM 0 HA TRP A 80 9.270 -8.463 5.816 1.00 0.00 H new ATOM 0 HB2 TRP A 80 9.445 -10.417 7.139 1.00 0.00 H new ATOM 0 HB3 TRP A 80 8.163 -11.239 6.271 1.00 0.00 H new ATOM 0 HD1 TRP A 80 11.712 -9.853 5.357 1.00 0.00 H new ATOM 0 HE1 TRP A 80 12.870 -11.537 3.771 1.00 0.00 H new ATOM 0 HE3 TRP A 80 7.919 -13.256 4.979 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 12.212 -13.985 2.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 8.258 -15.253 3.578 1.00 0.00 H new ATOM 0 HH2 TRP A 80 10.379 -15.610 2.379 1.00 0.00 H new ATOM 1257 N GLU A 81 7.419 -10.179 3.665 1.00 0.00 N ATOM 1258 CA GLU A 81 7.146 -10.357 2.244 1.00 0.00 C ATOM 1259 C GLU A 81 6.916 -9.012 1.562 1.00 0.00 C ATOM 1260 O GLU A 81 7.379 -8.784 0.444 1.00 0.00 O ATOM 1261 CB GLU A 81 5.924 -11.257 2.047 1.00 0.00 C ATOM 1262 CG GLU A 81 4.601 -10.514 2.129 1.00 0.00 C ATOM 1263 CD GLU A 81 3.415 -11.394 1.783 1.00 0.00 C ATOM 1264 OE1 GLU A 81 2.875 -12.048 2.699 1.00 0.00 O ATOM 1265 OE2 GLU A 81 3.028 -11.428 0.596 1.00 0.00 O ATOM 0 H GLU A 81 6.854 -10.765 4.280 1.00 0.00 H new ATOM 0 HA GLU A 81 8.015 -10.831 1.789 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.997 -11.746 1.076 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.937 -12.043 2.802 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.473 -10.118 3.136 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.625 -9.661 1.451 1.00 0.00 H new ATOM 1272 N ASP A 82 6.197 -8.125 2.241 1.00 0.00 N ATOM 1273 CA ASP A 82 5.905 -6.802 1.702 1.00 0.00 C ATOM 1274 C ASP A 82 7.183 -5.983 1.550 1.00 0.00 C ATOM 1275 O ASP A 82 7.457 -5.436 0.483 1.00 0.00 O ATOM 1276 CB ASP A 82 4.917 -6.065 2.607 1.00 0.00 C ATOM 1277 CG ASP A 82 3.625 -6.835 2.802 1.00 0.00 C ATOM 1278 OD1 ASP A 82 3.603 -8.045 2.494 1.00 0.00 O ATOM 1279 OD2 ASP A 82 2.637 -6.228 3.264 1.00 0.00 O ATOM 0 H ASP A 82 5.805 -8.299 3.167 1.00 0.00 H new ATOM 0 HA ASP A 82 5.457 -6.929 0.717 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.381 -5.887 3.577 1.00 0.00 H new ATOM 0 HB3 ASP A 82 4.693 -5.089 2.177 1.00 0.00 H new ATOM 1284 N GLN A 83 7.960 -5.904 2.626 1.00 0.00 N ATOM 1285 CA GLN A 83 9.208 -5.150 2.612 1.00 0.00 C ATOM 1286 C GLN A 83 10.104 -5.602 1.463 1.00 0.00 C ATOM 1287 O GLN A 83 10.836 -4.800 0.883 1.00 0.00 O ATOM 1288 CB GLN A 83 9.943 -5.315 3.943 1.00 0.00 C ATOM 1289 CG GLN A 83 9.130 -4.867 5.147 1.00 0.00 C ATOM 1290 CD GLN A 83 9.991 -4.596 6.364 1.00 0.00 C ATOM 1291 OE1 GLN A 83 11.053 -3.982 6.264 1.00 0.00 O ATOM 1292 NE2 GLN A 83 9.536 -5.053 7.525 1.00 0.00 N ATOM 0 H GLN A 83 7.747 -6.352 3.517 1.00 0.00 H new ATOM 0 HA GLN A 83 8.966 -4.097 2.467 1.00 0.00 H new ATOM 0 HB2 GLN A 83 10.217 -6.362 4.070 1.00 0.00 H new ATOM 0 HB3 GLN A 83 10.871 -4.744 3.909 1.00 0.00 H new ATOM 0 HG2 GLN A 83 8.576 -3.964 4.891 1.00 0.00 H new ATOM 0 HG3 GLN A 83 8.395 -5.634 5.390 1.00 0.00 H new ATOM 0 HE21 GLN A 83 8.650 -5.557 7.563 1.00 0.00 H new ATOM 0 HE22 GLN A 83 10.072 -4.900 8.379 1.00 0.00 H new ATOM 1301 N GLN A 84 10.042 -6.890 1.142 1.00 0.00 N ATOM 1302 CA GLN A 84 10.849 -7.448 0.063 1.00 0.00 C ATOM 1303 C GLN A 84 10.396 -6.910 -1.290 1.00 0.00 C ATOM 1304 O GLN A 84 11.217 -6.590 -2.150 1.00 0.00 O ATOM 1305 CB GLN A 84 10.765 -8.975 0.072 1.00 0.00 C ATOM 1306 CG GLN A 84 11.134 -9.597 1.409 1.00 0.00 C ATOM 1307 CD GLN A 84 12.613 -9.912 1.517 1.00 0.00 C ATOM 1308 OE1 GLN A 84 13.181 -10.584 0.655 1.00 0.00 O ATOM 1309 NE2 GLN A 84 13.246 -9.428 2.579 1.00 0.00 N ATOM 0 H GLN A 84 9.442 -7.567 1.613 1.00 0.00 H new ATOM 0 HA GLN A 84 11.884 -7.147 0.225 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.751 -9.276 -0.192 1.00 0.00 H new ATOM 0 HB3 GLN A 84 11.426 -9.371 -0.699 1.00 0.00 H new ATOM 0 HG2 GLN A 84 10.852 -8.917 2.212 1.00 0.00 H new ATOM 0 HG3 GLN A 84 10.560 -10.513 1.550 1.00 0.00 H new ATOM 0 HE21 GLN A 84 12.736 -8.876 3.269 1.00 0.00 H new ATOM 0 HE22 GLN A 84 14.242 -9.608 2.705 1.00 0.00 H new ATOM 1318 N LYS A 85 9.083 -6.812 -1.473 1.00 0.00 N ATOM 1319 CA LYS A 85 8.519 -6.312 -2.721 1.00 0.00 C ATOM 1320 C LYS A 85 9.069 -4.928 -3.050 1.00 0.00 C ATOM 1321 O LYS A 85 9.173 -4.553 -4.219 1.00 0.00 O ATOM 1322 CB LYS A 85 6.993 -6.258 -2.630 1.00 0.00 C ATOM 1323 CG LYS A 85 6.344 -7.623 -2.484 1.00 0.00 C ATOM 1324 CD LYS A 85 4.861 -7.505 -2.171 1.00 0.00 C ATOM 1325 CE LYS A 85 4.373 -8.679 -1.335 1.00 0.00 C ATOM 1326 NZ LYS A 85 2.889 -8.799 -1.361 1.00 0.00 N ATOM 0 H LYS A 85 8.389 -7.073 -0.772 1.00 0.00 H new ATOM 0 HA LYS A 85 8.805 -6.997 -3.520 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.710 -5.638 -1.780 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.601 -5.772 -3.524 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.478 -8.191 -3.404 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.841 -8.180 -1.690 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.674 -6.574 -1.637 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.294 -7.459 -3.101 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.819 -9.601 -1.709 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.710 -8.557 -0.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.596 -9.610 -0.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.464 -7.929 -0.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.569 -8.941 -2.340 1.00 0.00 H new ATOM 1340 N ILE A 86 9.420 -4.174 -2.014 1.00 0.00 N ATOM 1341 CA ILE A 86 9.961 -2.832 -2.194 1.00 0.00 C ATOM 1342 C ILE A 86 11.410 -2.883 -2.667 1.00 0.00 C ATOM 1343 O ILE A 86 11.720 -2.490 -3.792 1.00 0.00 O ATOM 1344 CB ILE A 86 9.887 -2.016 -0.891 1.00 0.00 C ATOM 1345 CG1 ILE A 86 8.516 -2.187 -0.233 1.00 0.00 C ATOM 1346 CG2 ILE A 86 10.166 -0.546 -1.170 1.00 0.00 C ATOM 1347 CD1 ILE A 86 7.380 -1.596 -1.039 1.00 0.00 C ATOM 0 H ILE A 86 9.340 -4.469 -1.041 1.00 0.00 H new ATOM 0 HA ILE A 86 9.350 -2.344 -2.953 1.00 0.00 H new ATOM 0 HB ILE A 86 10.648 -2.387 -0.204 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.326 -3.249 -0.078 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.534 -1.719 0.751 1.00 0.00 H new ATOM 0 HG21 ILE A 86 10.110 0.018 -0.239 1.00 0.00 H new ATOM 0 HG22 ILE A 86 11.162 -0.440 -1.599 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.426 -0.162 -1.872 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.439 -1.754 -0.512 1.00 0.00 H new ATOM 0 HD12 ILE A 86 7.546 -0.527 -1.172 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.335 -2.080 -2.014 1.00 0.00 H new ATOM 1359 N ARG A 87 12.292 -3.371 -1.801 1.00 0.00 N ATOM 1360 CA ARG A 87 13.709 -3.474 -2.131 1.00 0.00 C ATOM 1361 C ARG A 87 13.911 -4.255 -3.426 1.00 0.00 C ATOM 1362 O ARG A 87 14.772 -3.919 -4.239 1.00 0.00 O ATOM 1363 CB ARG A 87 14.472 -4.150 -0.990 1.00 0.00 C ATOM 1364 CG ARG A 87 14.023 -5.577 -0.719 1.00 0.00 C ATOM 1365 CD ARG A 87 14.236 -5.962 0.736 1.00 0.00 C ATOM 1366 NE ARG A 87 14.511 -7.387 0.891 1.00 0.00 N ATOM 1367 CZ ARG A 87 15.718 -7.923 0.744 1.00 0.00 C ATOM 1368 NH1 ARG A 87 16.755 -7.155 0.439 1.00 0.00 N ATOM 1369 NH2 ARG A 87 15.889 -9.229 0.901 1.00 0.00 N ATOM 0 H ARG A 87 12.051 -3.701 -0.866 1.00 0.00 H new ATOM 0 HA ARG A 87 14.098 -2.465 -2.272 1.00 0.00 H new ATOM 0 HB2 ARG A 87 15.536 -4.151 -1.226 1.00 0.00 H new ATOM 0 HB3 ARG A 87 14.348 -3.560 -0.082 1.00 0.00 H new ATOM 0 HG2 ARG A 87 12.968 -5.682 -0.973 1.00 0.00 H new ATOM 0 HG3 ARG A 87 14.576 -6.262 -1.362 1.00 0.00 H new ATOM 0 HD2 ARG A 87 15.066 -5.386 1.145 1.00 0.00 H new ATOM 0 HD3 ARG A 87 13.350 -5.699 1.314 1.00 0.00 H new ATOM 0 HE ARG A 87 13.734 -8.005 1.125 1.00 0.00 H new ATOM 0 HH11 ARG A 87 16.627 -6.150 0.317 1.00 0.00 H new ATOM 0 HH12 ARG A 87 17.681 -7.569 0.327 1.00 0.00 H new ATOM 0 HH21 ARG A 87 15.093 -9.823 1.135 1.00 0.00 H new ATOM 0 HH22 ARG A 87 16.816 -9.639 0.788 1.00 0.00 H new ATOM 1383 N LYS A 88 13.111 -5.300 -3.611 1.00 0.00 N ATOM 1384 CA LYS A 88 13.200 -6.130 -4.806 1.00 0.00 C ATOM 1385 C LYS A 88 12.614 -5.408 -6.015 1.00 0.00 C ATOM 1386 O LYS A 88 12.547 -5.965 -7.111 1.00 0.00 O ATOM 1387 CB LYS A 88 12.469 -7.456 -4.587 1.00 0.00 C ATOM 1388 CG LYS A 88 12.910 -8.195 -3.335 1.00 0.00 C ATOM 1389 CD LYS A 88 14.056 -9.149 -3.625 1.00 0.00 C ATOM 1390 CE LYS A 88 13.565 -10.422 -4.297 1.00 0.00 C ATOM 1391 NZ LYS A 88 12.994 -11.383 -3.314 1.00 0.00 N ATOM 0 H LYS A 88 12.393 -5.592 -2.948 1.00 0.00 H new ATOM 0 HA LYS A 88 14.254 -6.331 -5.000 1.00 0.00 H new ATOM 0 HB2 LYS A 88 11.398 -7.265 -4.527 1.00 0.00 H new ATOM 0 HB3 LYS A 88 12.631 -8.098 -5.453 1.00 0.00 H new ATOM 0 HG2 LYS A 88 13.218 -7.476 -2.576 1.00 0.00 H new ATOM 0 HG3 LYS A 88 12.068 -8.751 -2.924 1.00 0.00 H new ATOM 0 HD2 LYS A 88 14.787 -8.657 -4.266 1.00 0.00 H new ATOM 0 HD3 LYS A 88 14.566 -9.401 -2.695 1.00 0.00 H new ATOM 0 HE2 LYS A 88 12.809 -10.171 -5.041 1.00 0.00 H new ATOM 0 HE3 LYS A 88 14.391 -10.894 -4.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 12.671 -12.237 -3.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 13.722 -11.642 -2.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 12.189 -10.942 -2.825 1.00 0.00 H new ATOM 1405 N TYR A 89 12.193 -4.165 -5.808 1.00 0.00 N ATOM 1406 CA TYR A 89 11.612 -3.367 -6.881 1.00 0.00 C ATOM 1407 C TYR A 89 12.504 -2.177 -7.220 1.00 0.00 C ATOM 1408 O TYR A 89 12.671 -1.823 -8.387 1.00 0.00 O ATOM 1409 CB TYR A 89 10.218 -2.877 -6.483 1.00 0.00 C ATOM 1410 CG TYR A 89 9.735 -1.699 -7.299 1.00 0.00 C ATOM 1411 CD1 TYR A 89 9.160 -1.884 -8.550 1.00 0.00 C ATOM 1412 CD2 TYR A 89 9.854 -0.400 -6.818 1.00 0.00 C ATOM 1413 CE1 TYR A 89 8.718 -0.811 -9.299 1.00 0.00 C ATOM 1414 CE2 TYR A 89 9.413 0.678 -7.560 1.00 0.00 C ATOM 1415 CZ TYR A 89 8.846 0.468 -8.800 1.00 0.00 C ATOM 1416 OH TYR A 89 8.406 1.540 -9.542 1.00 0.00 O ATOM 0 H TYR A 89 12.243 -3.689 -4.907 1.00 0.00 H new ATOM 0 HA TYR A 89 11.529 -3.999 -7.765 1.00 0.00 H new ATOM 0 HB2 TYR A 89 9.509 -3.698 -6.590 1.00 0.00 H new ATOM 0 HB3 TYR A 89 10.227 -2.599 -5.429 1.00 0.00 H new ATOM 0 HD1 TYR A 89 9.057 -2.884 -8.944 1.00 0.00 H new ATOM 0 HD2 TYR A 89 10.299 -0.231 -5.848 1.00 0.00 H new ATOM 0 HE1 TYR A 89 8.274 -0.973 -10.270 1.00 0.00 H new ATOM 0 HE2 TYR A 89 9.512 1.681 -7.171 1.00 0.00 H new ATOM 0 HH TYR A 89 7.853 1.219 -10.285 1.00 0.00 H new ATOM 1426 N VAL A 90 13.077 -1.563 -6.189 1.00 0.00 N ATOM 1427 CA VAL A 90 13.954 -0.413 -6.375 1.00 0.00 C ATOM 1428 C VAL A 90 15.345 -0.850 -6.820 1.00 0.00 C ATOM 1429 O VAL A 90 16.039 -0.120 -7.526 1.00 0.00 O ATOM 1430 CB VAL A 90 14.077 0.414 -5.082 1.00 0.00 C ATOM 1431 CG1 VAL A 90 12.782 1.160 -4.800 1.00 0.00 C ATOM 1432 CG2 VAL A 90 14.453 -0.481 -3.911 1.00 0.00 C ATOM 0 H VAL A 90 12.949 -1.843 -5.217 1.00 0.00 H new ATOM 0 HA VAL A 90 13.505 0.206 -7.152 1.00 0.00 H new ATOM 0 HB VAL A 90 14.870 1.150 -5.216 1.00 0.00 H new ATOM 0 HG11 VAL A 90 12.888 1.739 -3.882 1.00 0.00 H new ATOM 0 HG12 VAL A 90 12.561 1.832 -5.629 1.00 0.00 H new ATOM 0 HG13 VAL A 90 11.968 0.445 -4.686 1.00 0.00 H new ATOM 0 HG21 VAL A 90 14.536 0.120 -3.005 1.00 0.00 H new ATOM 0 HG22 VAL A 90 13.684 -1.241 -3.773 1.00 0.00 H new ATOM 0 HG23 VAL A 90 15.409 -0.964 -4.114 1.00 0.00 H new ATOM 1442 N GLU A 91 15.746 -2.047 -6.403 1.00 0.00 N ATOM 1443 CA GLU A 91 17.055 -2.581 -6.759 1.00 0.00 C ATOM 1444 C GLU A 91 17.059 -3.101 -8.194 1.00 0.00 C ATOM 1445 O GLU A 91 18.003 -2.866 -8.947 1.00 0.00 O ATOM 1446 CB GLU A 91 17.451 -3.704 -5.797 1.00 0.00 C ATOM 1447 CG GLU A 91 17.652 -3.237 -4.366 1.00 0.00 C ATOM 1448 CD GLU A 91 19.020 -2.621 -4.140 1.00 0.00 C ATOM 1449 OE1 GLU A 91 19.594 -2.081 -5.108 1.00 0.00 O ATOM 1450 OE2 GLU A 91 19.516 -2.680 -2.995 1.00 0.00 O ATOM 0 H GLU A 91 15.183 -2.665 -5.818 1.00 0.00 H new ATOM 0 HA GLU A 91 17.782 -1.772 -6.682 1.00 0.00 H new ATOM 0 HB2 GLU A 91 16.680 -4.474 -5.814 1.00 0.00 H new ATOM 0 HB3 GLU A 91 18.372 -4.167 -6.152 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.883 -2.507 -4.115 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.522 -4.082 -3.690 1.00 0.00 H new ATOM 1457 N SER A 92 15.996 -3.808 -8.564 1.00 0.00 N ATOM 1458 CA SER A 92 15.878 -4.365 -9.906 1.00 0.00 C ATOM 1459 C SER A 92 14.786 -3.650 -10.697 1.00 0.00 C ATOM 1460 O SER A 92 15.037 -3.104 -11.770 1.00 0.00 O ATOM 1461 CB SER A 92 15.575 -5.863 -9.835 1.00 0.00 C ATOM 1462 OG SER A 92 16.770 -6.624 -9.817 1.00 0.00 O ATOM 0 H SER A 92 15.204 -4.009 -7.953 1.00 0.00 H new ATOM 0 HA SER A 92 16.829 -4.218 -10.418 1.00 0.00 H new ATOM 0 HB2 SER A 92 14.990 -6.077 -8.940 1.00 0.00 H new ATOM 0 HB3 SER A 92 14.967 -6.155 -10.691 1.00 0.00 H new ATOM 0 HG SER A 92 16.550 -7.578 -9.770 1.00 0.00 H new ATOM 1468 N GLY A 93 13.571 -3.660 -10.156 1.00 0.00 N ATOM 1469 CA GLY A 93 12.457 -3.010 -10.823 1.00 0.00 C ATOM 1470 C GLY A 93 12.677 -1.521 -11.002 1.00 0.00 C ATOM 1471 O GLY A 93 13.815 -1.061 -11.088 1.00 0.00 O ATOM 0 H GLY A 93 13.338 -4.106 -9.269 1.00 0.00 H new ATOM 0 HA2 GLY A 93 12.303 -3.471 -11.799 1.00 0.00 H new ATOM 0 HA3 GLY A 93 11.547 -3.173 -10.246 1.00 0.00 H new ATOM 1475 N ALA A 94 11.585 -0.766 -11.059 1.00 0.00 N ATOM 1476 CA ALA A 94 11.664 0.680 -11.228 1.00 0.00 C ATOM 1477 C ALA A 94 12.270 1.344 -9.997 1.00 0.00 C ATOM 1478 O ALA A 94 11.569 1.635 -9.029 1.00 0.00 O ATOM 1479 CB ALA A 94 10.284 1.253 -11.516 1.00 0.00 C ATOM 0 H ALA A 94 10.635 -1.131 -10.991 1.00 0.00 H new ATOM 0 HA ALA A 94 12.315 0.888 -12.077 1.00 0.00 H new ATOM 0 HB1 ALA A 94 10.357 2.333 -11.640 1.00 0.00 H new ATOM 0 HB2 ALA A 94 9.889 0.809 -12.430 1.00 0.00 H new ATOM 0 HB3 ALA A 94 9.616 1.028 -10.685 1.00 0.00 H new ATOM 1485 N GLY A 95 13.577 1.582 -10.041 1.00 0.00 N ATOM 1486 CA GLY A 95 14.255 2.210 -8.922 1.00 0.00 C ATOM 1487 C GLY A 95 14.919 3.517 -9.306 1.00 0.00 C ATOM 1488 O GLY A 95 16.068 3.768 -8.943 1.00 0.00 O ATOM 0 H GLY A 95 14.179 1.351 -10.832 1.00 0.00 H new ATOM 0 HA2 GLY A 95 13.537 2.392 -8.122 1.00 0.00 H new ATOM 0 HA3 GLY A 95 15.007 1.527 -8.527 1.00 0.00 H new ATOM 1492 N SER A 96 14.195 4.353 -10.044 1.00 0.00 N ATOM 1493 CA SER A 96 14.723 5.639 -10.482 1.00 0.00 C ATOM 1494 C SER A 96 14.035 6.787 -9.748 1.00 0.00 C ATOM 1495 O SER A 96 13.027 6.590 -9.072 1.00 0.00 O ATOM 1496 CB SER A 96 14.539 5.802 -11.992 1.00 0.00 C ATOM 1497 OG SER A 96 15.298 4.841 -12.705 1.00 0.00 O ATOM 0 H SER A 96 13.241 4.162 -10.351 1.00 0.00 H new ATOM 0 HA SER A 96 15.787 5.666 -10.248 1.00 0.00 H new ATOM 0 HB2 SER A 96 13.484 5.698 -12.246 1.00 0.00 H new ATOM 0 HB3 SER A 96 14.842 6.805 -12.292 1.00 0.00 H new ATOM 0 HG SER A 96 15.162 4.965 -13.668 1.00 0.00 H new ATOM 1503 N ASN A 97 14.590 7.987 -9.888 1.00 0.00 N ATOM 1504 CA ASN A 97 14.032 9.167 -9.239 1.00 0.00 C ATOM 1505 C ASN A 97 13.674 10.236 -10.267 1.00 0.00 C ATOM 1506 O ASN A 97 14.547 10.776 -10.947 1.00 0.00 O ATOM 1507 CB ASN A 97 15.026 9.733 -8.222 1.00 0.00 C ATOM 1508 CG ASN A 97 16.324 10.176 -8.868 1.00 0.00 C ATOM 1509 OD1 ASN A 97 17.032 9.374 -9.479 1.00 0.00 O ATOM 1510 ND2 ASN A 97 16.644 11.458 -8.736 1.00 0.00 N ATOM 0 H ASN A 97 15.425 8.167 -10.445 1.00 0.00 H new ATOM 0 HA ASN A 97 13.121 8.869 -8.720 1.00 0.00 H new ATOM 0 HB2 ASN A 97 14.572 10.580 -7.707 1.00 0.00 H new ATOM 0 HB3 ASN A 97 15.239 8.977 -7.466 1.00 0.00 H new ATOM 0 HD21 ASN A 97 17.506 11.814 -9.149 1.00 0.00 H new ATOM 0 HD22 ASN A 97 16.028 12.087 -8.221 1.00 0.00 H new ATOM 1517 N THR A 98 12.384 10.538 -10.375 1.00 0.00 N ATOM 1518 CA THR A 98 11.910 11.541 -11.320 1.00 0.00 C ATOM 1519 C THR A 98 11.264 12.716 -10.595 1.00 0.00 C ATOM 1520 O THR A 98 10.178 12.588 -10.030 1.00 0.00 O ATOM 1521 CB THR A 98 10.895 10.943 -12.312 1.00 0.00 C ATOM 1522 OG1 THR A 98 9.783 10.389 -11.601 1.00 0.00 O ATOM 1523 CG2 THR A 98 11.545 9.865 -13.167 1.00 0.00 C ATOM 0 H THR A 98 11.648 10.102 -9.819 1.00 0.00 H new ATOM 0 HA THR A 98 12.782 11.893 -11.872 1.00 0.00 H new ATOM 0 HB THR A 98 10.546 11.742 -12.966 1.00 0.00 H new ATOM 0 HG1 THR A 98 9.575 10.954 -10.828 1.00 0.00 H new ATOM 0 HG21 THR A 98 10.809 9.457 -13.860 1.00 0.00 H new ATOM 0 HG22 THR A 98 12.373 10.297 -13.730 1.00 0.00 H new ATOM 0 HG23 THR A 98 11.919 9.068 -12.525 1.00 0.00 H new ATOM 1531 N SER A 99 11.937 13.862 -10.617 1.00 0.00 N ATOM 1532 CA SER A 99 11.429 15.060 -9.959 1.00 0.00 C ATOM 1533 C SER A 99 10.102 15.495 -10.573 1.00 0.00 C ATOM 1534 O SER A 99 10.068 16.104 -11.643 1.00 0.00 O ATOM 1535 CB SER A 99 12.448 16.196 -10.063 1.00 0.00 C ATOM 1536 OG SER A 99 12.072 17.295 -9.252 1.00 0.00 O ATOM 0 H SER A 99 12.836 13.986 -11.083 1.00 0.00 H new ATOM 0 HA SER A 99 11.264 14.825 -8.908 1.00 0.00 H new ATOM 0 HB2 SER A 99 13.431 15.836 -9.759 1.00 0.00 H new ATOM 0 HB3 SER A 99 12.533 16.518 -11.101 1.00 0.00 H new ATOM 0 HG SER A 99 12.740 18.007 -9.335 1.00 0.00 H new ATOM 1542 N THR A 100 9.008 15.178 -9.887 1.00 0.00 N ATOM 1543 CA THR A 100 7.677 15.534 -10.363 1.00 0.00 C ATOM 1544 C THR A 100 6.925 16.361 -9.326 1.00 0.00 C ATOM 1545 O THR A 100 6.900 16.018 -8.144 1.00 0.00 O ATOM 1546 CB THR A 100 6.848 14.282 -10.704 1.00 0.00 C ATOM 1547 OG1 THR A 100 7.579 13.441 -11.604 1.00 0.00 O ATOM 1548 CG2 THR A 100 5.517 14.667 -11.331 1.00 0.00 C ATOM 0 H THR A 100 9.018 14.675 -9.000 1.00 0.00 H new ATOM 0 HA THR A 100 7.813 16.127 -11.267 1.00 0.00 H new ATOM 0 HB THR A 100 6.652 13.741 -9.778 1.00 0.00 H new ATOM 0 HG1 THR A 100 8.356 13.064 -11.141 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.950 13.766 -11.563 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.950 15.283 -10.633 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.696 15.229 -12.248 1.00 0.00 H new ATOM 1556 N SER A 101 6.311 17.451 -9.776 1.00 0.00 N ATOM 1557 CA SER A 101 5.560 18.328 -8.886 1.00 0.00 C ATOM 1558 C SER A 101 4.382 18.964 -9.617 1.00 0.00 C ATOM 1559 O SER A 101 4.493 19.354 -10.780 1.00 0.00 O ATOM 1560 CB SER A 101 6.473 19.418 -8.321 1.00 0.00 C ATOM 1561 OG SER A 101 6.007 19.871 -7.062 1.00 0.00 O ATOM 0 H SER A 101 6.319 17.748 -10.752 1.00 0.00 H new ATOM 0 HA SER A 101 5.173 17.726 -8.064 1.00 0.00 H new ATOM 0 HB2 SER A 101 7.487 19.031 -8.219 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.520 20.255 -9.018 1.00 0.00 H new ATOM 0 HG SER A 101 6.608 20.566 -6.721 1.00 0.00 H new ATOM 1567 N THR A 102 3.250 19.065 -8.927 1.00 0.00 N ATOM 1568 CA THR A 102 2.049 19.651 -9.509 1.00 0.00 C ATOM 1569 C THR A 102 0.949 19.802 -8.464 1.00 0.00 C ATOM 1570 O THR A 102 0.663 18.872 -7.711 1.00 0.00 O ATOM 1571 CB THR A 102 1.518 18.800 -10.678 1.00 0.00 C ATOM 1572 OG1 THR A 102 0.420 19.467 -11.310 1.00 0.00 O ATOM 1573 CG2 THR A 102 1.073 17.429 -10.190 1.00 0.00 C ATOM 0 H THR A 102 3.140 18.748 -7.964 1.00 0.00 H new ATOM 0 HA THR A 102 2.328 20.636 -9.884 1.00 0.00 H new ATOM 0 HB THR A 102 2.325 18.667 -11.399 1.00 0.00 H new ATOM 0 HG1 THR A 102 0.089 18.920 -12.053 1.00 0.00 H new ATOM 0 HG21 THR A 102 0.702 16.846 -11.033 1.00 0.00 H new ATOM 0 HG22 THR A 102 1.918 16.913 -9.735 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.280 17.545 -9.452 1.00 0.00 H new ATOM 1581 N GLY A 103 0.335 20.981 -8.424 1.00 0.00 N ATOM 1582 CA GLY A 103 -0.727 21.232 -7.468 1.00 0.00 C ATOM 1583 C GLY A 103 -1.832 22.096 -8.043 1.00 0.00 C ATOM 1584 O GLY A 103 -1.789 23.323 -7.941 1.00 0.00 O ATOM 0 H GLY A 103 0.554 21.766 -9.037 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -1.147 20.282 -7.138 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -0.310 21.719 -6.586 1.00 0.00 H new ATOM 1588 N THR A 104 -2.826 21.456 -8.650 1.00 0.00 N ATOM 1589 CA THR A 104 -3.946 22.174 -9.246 1.00 0.00 C ATOM 1590 C THR A 104 -5.236 21.369 -9.136 1.00 0.00 C ATOM 1591 O THR A 104 -5.214 20.138 -9.143 1.00 0.00 O ATOM 1592 CB THR A 104 -3.681 22.497 -10.729 1.00 0.00 C ATOM 1593 OG1 THR A 104 -4.762 23.270 -11.262 1.00 0.00 O ATOM 1594 CG2 THR A 104 -3.515 21.221 -11.540 1.00 0.00 C ATOM 0 H THR A 104 -2.878 20.442 -8.742 1.00 0.00 H new ATOM 0 HA THR A 104 -4.054 23.107 -8.692 1.00 0.00 H new ATOM 0 HB THR A 104 -2.757 23.072 -10.793 1.00 0.00 H new ATOM 0 HG1 THR A 104 -4.586 23.473 -12.204 1.00 0.00 H new ATOM 0 HG21 THR A 104 -3.329 21.475 -12.584 1.00 0.00 H new ATOM 0 HG22 THR A 104 -2.673 20.649 -11.150 1.00 0.00 H new ATOM 0 HG23 THR A 104 -4.424 20.624 -11.468 1.00 0.00 H new ATOM 1602 N SER A 105 -6.360 22.072 -9.035 1.00 0.00 N ATOM 1603 CA SER A 105 -7.660 21.422 -8.920 1.00 0.00 C ATOM 1604 C SER A 105 -8.777 22.356 -9.377 1.00 0.00 C ATOM 1605 O SER A 105 -8.535 23.519 -9.703 1.00 0.00 O ATOM 1606 CB SER A 105 -7.908 20.980 -7.476 1.00 0.00 C ATOM 1607 OG SER A 105 -7.735 22.061 -6.576 1.00 0.00 O ATOM 0 H SER A 105 -6.396 23.091 -9.031 1.00 0.00 H new ATOM 0 HA SER A 105 -7.657 20.544 -9.566 1.00 0.00 H new ATOM 0 HB2 SER A 105 -8.919 20.583 -7.382 1.00 0.00 H new ATOM 0 HB3 SER A 105 -7.223 20.173 -7.216 1.00 0.00 H new ATOM 0 HG SER A 105 -7.901 21.754 -5.660 1.00 0.00 H new ATOM 1613 N THR A 106 -10.001 21.839 -9.398 1.00 0.00 N ATOM 1614 CA THR A 106 -11.156 22.624 -9.815 1.00 0.00 C ATOM 1615 C THR A 106 -11.718 23.435 -8.653 1.00 0.00 C ATOM 1616 O THR A 106 -12.508 24.358 -8.853 1.00 0.00 O ATOM 1617 CB THR A 106 -12.269 21.726 -10.386 1.00 0.00 C ATOM 1618 OG1 THR A 106 -12.450 20.578 -9.549 1.00 0.00 O ATOM 1619 CG2 THR A 106 -11.933 21.281 -11.801 1.00 0.00 C ATOM 0 H THR A 106 -10.218 20.879 -9.131 1.00 0.00 H new ATOM 0 HA THR A 106 -10.812 23.303 -10.595 1.00 0.00 H new ATOM 0 HB THR A 106 -13.193 22.304 -10.414 1.00 0.00 H new ATOM 0 HG1 THR A 106 -13.161 20.013 -9.918 1.00 0.00 H new ATOM 0 HG21 THR A 106 -12.734 20.648 -12.183 1.00 0.00 H new ATOM 0 HG22 THR A 106 -11.825 22.156 -12.442 1.00 0.00 H new ATOM 0 HG23 THR A 106 -10.999 20.720 -11.794 1.00 0.00 H new ATOM 1627 N SER A 107 -11.305 23.086 -7.439 1.00 0.00 N ATOM 1628 CA SER A 107 -11.771 23.780 -6.244 1.00 0.00 C ATOM 1629 C SER A 107 -10.838 24.934 -5.889 1.00 0.00 C ATOM 1630 O SER A 107 -9.639 24.885 -6.163 1.00 0.00 O ATOM 1631 CB SER A 107 -11.867 22.807 -5.068 1.00 0.00 C ATOM 1632 OG SER A 107 -13.055 22.038 -5.138 1.00 0.00 O ATOM 0 H SER A 107 -10.649 22.327 -7.257 1.00 0.00 H new ATOM 0 HA SER A 107 -12.761 24.186 -6.452 1.00 0.00 H new ATOM 0 HB2 SER A 107 -11.001 22.145 -5.068 1.00 0.00 H new ATOM 0 HB3 SER A 107 -11.844 23.362 -4.130 1.00 0.00 H new ATOM 0 HG SER A 107 -13.092 21.423 -4.376 1.00 0.00 H new ATOM 1638 N SER A 108 -11.399 25.972 -5.276 1.00 0.00 N ATOM 1639 CA SER A 108 -10.620 27.142 -4.886 1.00 0.00 C ATOM 1640 C SER A 108 -10.422 27.182 -3.374 1.00 0.00 C ATOM 1641 O SER A 108 -9.563 27.905 -2.868 1.00 0.00 O ATOM 1642 CB SER A 108 -11.313 28.422 -5.355 1.00 0.00 C ATOM 1643 OG SER A 108 -12.675 28.438 -4.964 1.00 0.00 O ATOM 0 H SER A 108 -12.390 26.027 -5.039 1.00 0.00 H new ATOM 0 HA SER A 108 -9.642 27.072 -5.362 1.00 0.00 H new ATOM 0 HB2 SER A 108 -10.802 29.290 -4.938 1.00 0.00 H new ATOM 0 HB3 SER A 108 -11.242 28.501 -6.440 1.00 0.00 H new ATOM 0 HG SER A 108 -13.095 29.267 -5.274 1.00 0.00 H new ATOM 1649 N SER A 109 -11.223 26.400 -2.657 1.00 0.00 N ATOM 1650 CA SER A 109 -11.139 26.349 -1.202 1.00 0.00 C ATOM 1651 C SER A 109 -12.073 25.281 -0.642 1.00 0.00 C ATOM 1652 O SER A 109 -12.840 24.662 -1.378 1.00 0.00 O ATOM 1653 CB SER A 109 -11.486 27.712 -0.602 1.00 0.00 C ATOM 1654 OG SER A 109 -12.889 27.874 -0.480 1.00 0.00 O ATOM 0 H SER A 109 -11.937 25.793 -3.060 1.00 0.00 H new ATOM 0 HA SER A 109 -10.115 26.091 -0.930 1.00 0.00 H new ATOM 0 HB2 SER A 109 -11.019 27.811 0.378 1.00 0.00 H new ATOM 0 HB3 SER A 109 -11.079 28.504 -1.231 1.00 0.00 H new ATOM 0 HG SER A 109 -13.084 28.753 -0.092 1.00 0.00 H new ATOM 1660 N GLY A 110 -12.003 25.071 0.669 1.00 0.00 N ATOM 1661 CA GLY A 110 -12.847 24.077 1.308 1.00 0.00 C ATOM 1662 C GLY A 110 -13.081 24.373 2.776 1.00 0.00 C ATOM 1663 O GLY A 110 -12.197 24.859 3.482 1.00 0.00 O ATOM 0 H GLY A 110 -11.377 25.571 1.300 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -13.806 24.033 0.792 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -12.386 23.094 1.208 1.00 0.00 H new ATOM 1667 N PRO A 111 -14.297 24.076 3.257 1.00 0.00 N ATOM 1668 CA PRO A 111 -14.673 24.306 4.655 1.00 0.00 C ATOM 1669 C PRO A 111 -13.957 23.358 5.611 1.00 0.00 C ATOM 1670 O PRO A 111 -14.117 23.451 6.828 1.00 0.00 O ATOM 1671 CB PRO A 111 -16.180 24.038 4.666 1.00 0.00 C ATOM 1672 CG PRO A 111 -16.409 23.113 3.520 1.00 0.00 C ATOM 1673 CD PRO A 111 -15.399 23.494 2.473 1.00 0.00 C ATOM 0 HA PRO A 111 -14.402 25.307 4.990 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -16.495 23.588 5.607 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -16.747 24.961 4.549 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -16.282 22.074 3.825 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -17.425 23.211 3.136 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -15.070 22.628 1.899 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -15.809 24.211 1.762 1.00 0.00 H new ATOM 1681 N SER A 112 -13.167 22.447 5.052 1.00 0.00 N ATOM 1682 CA SER A 112 -12.429 21.479 5.856 1.00 0.00 C ATOM 1683 C SER A 112 -10.948 21.841 5.916 1.00 0.00 C ATOM 1684 O SER A 112 -10.175 21.489 5.025 1.00 0.00 O ATOM 1685 CB SER A 112 -12.598 20.072 5.281 1.00 0.00 C ATOM 1686 OG SER A 112 -12.010 19.100 6.128 1.00 0.00 O ATOM 0 H SER A 112 -13.021 22.359 4.046 1.00 0.00 H new ATOM 0 HA SER A 112 -12.833 21.501 6.868 1.00 0.00 H new ATOM 0 HB2 SER A 112 -13.658 19.853 5.153 1.00 0.00 H new ATOM 0 HB3 SER A 112 -12.140 20.022 4.293 1.00 0.00 H new ATOM 0 HG SER A 112 -12.133 18.209 5.739 1.00 0.00 H new ATOM 1692 N SER A 113 -10.560 22.546 6.974 1.00 0.00 N ATOM 1693 CA SER A 113 -9.173 22.960 7.150 1.00 0.00 C ATOM 1694 C SER A 113 -8.430 21.993 8.066 1.00 0.00 C ATOM 1695 O SER A 113 -8.347 22.205 9.275 1.00 0.00 O ATOM 1696 CB SER A 113 -9.110 24.376 7.726 1.00 0.00 C ATOM 1697 OG SER A 113 -9.738 25.307 6.862 1.00 0.00 O ATOM 0 H SER A 113 -11.187 22.842 7.722 1.00 0.00 H new ATOM 0 HA SER A 113 -8.690 22.951 6.173 1.00 0.00 H new ATOM 0 HB2 SER A 113 -9.595 24.397 8.702 1.00 0.00 H new ATOM 0 HB3 SER A 113 -8.070 24.663 7.881 1.00 0.00 H new ATOM 0 HG SER A 113 -9.686 26.204 7.254 1.00 0.00 H new ATOM 1703 N GLY A 114 -7.891 20.928 7.480 1.00 0.00 N ATOM 1704 CA GLY A 114 -7.161 19.943 8.257 1.00 0.00 C ATOM 1705 C GLY A 114 -5.659 20.090 8.117 1.00 0.00 C ATOM 1706 O GLY A 114 -5.202 20.637 7.114 1.00 0.00 O ATOM 0 H GLY A 114 -7.947 20.730 6.481 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -7.436 20.038 9.308 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -7.456 18.943 7.939 1.00 0.00 H new TER 1710 GLY A 114 HETATM 1711 ZN ZN A 200 -5.022 -0.205 -7.186 1.00 0.00 ZN