USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 763 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 THR OG1 : rot -171:sc= 0.943 USER MOD Set 1.2: A 41 ASN : amide:sc= 0.951 K(o=1.9,f=-2.4) USER MOD Set 2.1: A 19 ASN : amide:sc= -4.86! C(o=-6!,f=-11!) USER MOD Set 2.2: A 20 THR OG1 : rot 110:sc= -1.12 USER MOD Set 3.1: A 10 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 36 LYS NZ :NH3+ -137:sc= -0.604 (180deg=-1.82) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0.0588 USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 4 THR OG1 : rot 109:sc= -0.359 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 156:sc= -0.111 (180deg=-1.03) USER MOD Single : A 23 ASN : amide:sc= -0.766 X(o=-0.77,f=-0.76) USER MOD Single : A 24 SER OG : rot -150:sc= -0.364 USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.286 USER MOD Single : A 29 LYS NZ :NH3+ -160:sc= -0.0437 (180deg=-0.527) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.389 X(o=-0.39,f=-0.74) USER MOD Single : A 47 ASN : amide:sc= -0.598 X(o=-0.6,f=-0.67) USER MOD Single : A 52 TYR OH : rot 180:sc= -0.0405 USER MOD Single : A 56 SER OG : rot -20:sc= -0.952! USER MOD Single : A 58 SER OG : rot -92:sc= 0.41 USER MOD Single : A 63 HIS : no HD1:sc= -4.09! C(o=-4.1!,f=-2.7!) USER MOD Single : A 65 TYR OH : rot 180:sc= -0.274 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.299 X(o=-0.3,f=-0.66) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 60:sc= 0.757 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 91 HIS : no HD1:sc= -1.12 K(o=-1.1,f=-0.38) USER MOD Single : A 92 HIS : no HD1:sc= -1.91 X(o=-1.9,f=-1.5) USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=-1.6e-05) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 HIS : no HD1:sc= 0.661 K(o=0.66,f=-3.3!) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=-0.0043) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -23.474 16.526 -20.898 1.00 1.00 N ATOM 2 CA SER A 1 -22.974 15.125 -20.939 1.00 1.00 C ATOM 3 C SER A 1 -21.642 15.039 -20.202 1.00 1.00 C ATOM 4 O SER A 1 -21.508 14.277 -19.243 1.00 1.00 O ATOM 5 CB SER A 1 -22.798 14.690 -22.395 1.00 1.00 C ATOM 6 OG SER A 1 -22.381 13.331 -22.434 1.00 1.00 O ATOM 0 H1 SER A 1 -24.383 16.585 -21.401 1.00 1.00 H new ATOM 0 H2 SER A 1 -23.606 16.819 -19.909 1.00 1.00 H new ATOM 0 H3 SER A 1 -22.784 17.155 -21.356 1.00 1.00 H new ATOM 0 HA SER A 1 -23.692 14.464 -20.454 1.00 1.00 H new ATOM 0 HB2 SER A 1 -23.735 14.810 -22.938 1.00 1.00 H new ATOM 0 HB3 SER A 1 -22.060 15.323 -22.889 1.00 1.00 H new ATOM 0 HG SER A 1 -22.269 13.050 -23.366 1.00 1.00 H new ATOM 14 N SER A 2 -20.660 15.814 -20.651 1.00 1.00 N ATOM 15 CA SER A 2 -19.337 15.815 -20.029 1.00 1.00 C ATOM 16 C SER A 2 -18.774 14.398 -20.001 1.00 1.00 C ATOM 17 O SER A 2 -19.382 13.479 -20.550 1.00 1.00 O ATOM 18 CB SER A 2 -19.432 16.372 -18.607 1.00 1.00 C ATOM 19 OG SER A 2 -18.123 16.557 -18.085 1.00 1.00 O ATOM 0 H SER A 2 -20.754 16.450 -21.443 1.00 1.00 H new ATOM 0 HA SER A 2 -18.669 16.448 -20.613 1.00 1.00 H new ATOM 0 HB2 SER A 2 -19.971 17.319 -18.611 1.00 1.00 H new ATOM 0 HB3 SER A 2 -19.995 15.687 -17.973 1.00 1.00 H new ATOM 0 HG SER A 2 -18.181 16.915 -17.175 1.00 1.00 H new ATOM 25 N GLN A 3 -17.623 14.200 -19.367 1.00 1.00 N ATOM 26 CA GLN A 3 -17.004 12.881 -19.285 1.00 1.00 C ATOM 27 C GLN A 3 -17.804 11.983 -18.344 1.00 1.00 C ATOM 28 O GLN A 3 -18.025 12.307 -17.178 1.00 1.00 O ATOM 29 CB GLN A 3 -15.558 13.016 -18.779 1.00 1.00 C ATOM 30 CG GLN A 3 -14.719 13.768 -19.820 1.00 1.00 C ATOM 31 CD GLN A 3 -13.286 13.941 -19.323 1.00 1.00 C ATOM 32 OE1 GLN A 3 -12.927 13.427 -18.265 1.00 1.00 O ATOM 33 NE2 GLN A 3 -12.440 14.643 -20.030 1.00 1.00 N ATOM 0 H GLN A 3 -17.098 14.939 -18.900 1.00 1.00 H new ATOM 0 HA GLN A 3 -16.995 12.430 -20.278 1.00 1.00 H new ATOM 0 HB2 GLN A 3 -15.542 13.550 -17.829 1.00 1.00 H new ATOM 0 HB3 GLN A 3 -15.132 12.029 -18.597 1.00 1.00 H new ATOM 0 HG2 GLN A 3 -14.720 13.220 -20.762 1.00 1.00 H new ATOM 0 HG3 GLN A 3 -15.162 14.744 -20.018 1.00 1.00 H new ATOM 0 HE21 GLN A 3 -12.739 15.069 -20.907 1.00 1.00 H new ATOM 0 HE22 GLN A 3 -11.481 14.765 -19.704 1.00 1.00 H new ATOM 42 N THR A 4 -18.248 10.841 -18.857 1.00 1.00 N ATOM 43 CA THR A 4 -19.026 9.883 -18.065 1.00 1.00 C ATOM 44 C THR A 4 -18.884 8.489 -18.664 1.00 1.00 C ATOM 45 O THR A 4 -19.793 7.970 -19.312 1.00 1.00 O ATOM 46 CB THR A 4 -20.505 10.293 -18.049 1.00 1.00 C ATOM 47 OG1 THR A 4 -20.610 11.644 -17.622 1.00 1.00 O ATOM 48 CG2 THR A 4 -21.288 9.393 -17.087 1.00 1.00 C ATOM 0 H THR A 4 -18.084 10.551 -19.821 1.00 1.00 H new ATOM 0 HA THR A 4 -18.649 9.877 -17.042 1.00 1.00 H new ATOM 0 HB THR A 4 -20.919 10.188 -19.052 1.00 1.00 H new ATOM 0 HG1 THR A 4 -20.866 12.208 -18.381 1.00 1.00 H new ATOM 0 HG21 THR A 4 -22.336 9.691 -17.082 1.00 1.00 H new ATOM 0 HG22 THR A 4 -21.207 8.356 -17.412 1.00 1.00 H new ATOM 0 HG23 THR A 4 -20.878 9.491 -16.082 1.00 1.00 H new ATOM 56 N LEU A 5 -17.726 7.871 -18.456 1.00 1.00 N ATOM 57 CA LEU A 5 -17.469 6.531 -18.982 1.00 1.00 C ATOM 58 C LEU A 5 -16.390 5.828 -18.162 1.00 1.00 C ATOM 59 O LEU A 5 -16.074 6.235 -17.045 1.00 1.00 O ATOM 60 CB LEU A 5 -17.038 6.617 -20.457 1.00 1.00 C ATOM 61 CG LEU A 5 -15.764 7.522 -20.626 1.00 1.00 C ATOM 62 CD1 LEU A 5 -14.849 6.955 -21.721 1.00 1.00 C ATOM 63 CD2 LEU A 5 -16.175 8.953 -21.011 1.00 1.00 C ATOM 0 H LEU A 5 -16.951 8.274 -17.929 1.00 1.00 H new ATOM 0 HA LEU A 5 -18.389 5.951 -18.912 1.00 1.00 H new ATOM 0 HB2 LEU A 5 -16.829 5.617 -20.836 1.00 1.00 H new ATOM 0 HB3 LEU A 5 -17.856 7.020 -21.054 1.00 1.00 H new ATOM 0 HG LEU A 5 -15.229 7.538 -19.676 1.00 1.00 H new ATOM 0 HD11 LEU A 5 -13.971 7.592 -21.827 1.00 1.00 H new ATOM 0 HD12 LEU A 5 -14.536 5.947 -21.448 1.00 1.00 H new ATOM 0 HD13 LEU A 5 -15.390 6.923 -22.667 1.00 1.00 H new ATOM 0 HD21 LEU A 5 -15.283 9.569 -21.125 1.00 1.00 H new ATOM 0 HD22 LEU A 5 -16.725 8.933 -21.952 1.00 1.00 H new ATOM 0 HD23 LEU A 5 -16.809 9.372 -20.229 1.00 1.00 H new ATOM 75 N ASP A 6 -15.832 4.761 -18.723 1.00 1.00 N ATOM 76 CA ASP A 6 -14.785 3.987 -18.052 1.00 1.00 C ATOM 77 C ASP A 6 -15.380 3.202 -16.886 1.00 1.00 C ATOM 78 O ASP A 6 -14.951 2.087 -16.588 1.00 1.00 O ATOM 79 CB ASP A 6 -13.649 4.918 -17.553 1.00 1.00 C ATOM 80 CG ASP A 6 -12.355 4.134 -17.338 1.00 1.00 C ATOM 81 OD1 ASP A 6 -12.426 2.919 -17.258 1.00 1.00 O ATOM 82 OD2 ASP A 6 -11.314 4.764 -17.255 1.00 1.00 O ATOM 0 H ASP A 6 -16.087 4.408 -19.646 1.00 1.00 H new ATOM 0 HA ASP A 6 -14.360 3.285 -18.769 1.00 1.00 H new ATOM 0 HB2 ASP A 6 -13.480 5.714 -18.279 1.00 1.00 H new ATOM 0 HB3 ASP A 6 -13.949 5.396 -16.620 1.00 1.00 H new ATOM 87 N ARG A 7 -16.381 3.783 -16.232 1.00 1.00 N ATOM 88 CA ARG A 7 -17.060 3.157 -15.105 1.00 1.00 C ATOM 89 C ARG A 7 -16.067 2.559 -14.105 1.00 1.00 C ATOM 90 O ARG A 7 -15.499 1.491 -14.332 1.00 1.00 O ATOM 91 CB ARG A 7 -17.995 2.061 -15.625 1.00 1.00 C ATOM 92 CG ARG A 7 -19.085 2.685 -16.508 1.00 1.00 C ATOM 93 CD ARG A 7 -19.985 1.583 -17.071 1.00 1.00 C ATOM 94 NE ARG A 7 -19.226 0.752 -18.004 1.00 1.00 N ATOM 95 CZ ARG A 7 -19.682 -0.428 -18.418 1.00 1.00 C ATOM 96 NH1 ARG A 7 -20.833 -0.871 -17.988 1.00 1.00 N ATOM 97 NH2 ARG A 7 -18.973 -1.145 -19.247 1.00 1.00 N ATOM 0 H ARG A 7 -16.745 4.705 -16.471 1.00 1.00 H new ATOM 0 HA ARG A 7 -17.632 3.924 -14.583 1.00 1.00 H new ATOM 0 HB2 ARG A 7 -17.427 1.326 -16.196 1.00 1.00 H new ATOM 0 HB3 ARG A 7 -18.451 1.531 -14.788 1.00 1.00 H new ATOM 0 HG2 ARG A 7 -19.678 3.391 -15.926 1.00 1.00 H new ATOM 0 HG3 ARG A 7 -18.629 3.247 -17.323 1.00 1.00 H new ATOM 0 HD2 ARG A 7 -20.376 0.970 -16.259 1.00 1.00 H new ATOM 0 HD3 ARG A 7 -20.843 2.025 -17.578 1.00 1.00 H new ATOM 0 HE ARG A 7 -18.325 1.085 -18.346 1.00 1.00 H new ATOM 0 HH11 ARG A 7 -21.383 -0.313 -17.335 1.00 1.00 H new ATOM 0 HH12 ARG A 7 -21.182 -1.775 -18.305 1.00 1.00 H new ATOM 0 HH21 ARG A 7 -18.071 -0.801 -19.576 1.00 1.00 H new ATOM 0 HH22 ARG A 7 -19.321 -2.049 -19.565 1.00 1.00 H new ATOM 111 N ASP A 8 -15.857 3.240 -12.982 1.00 1.00 N ATOM 112 CA ASP A 8 -14.947 2.773 -11.944 1.00 1.00 C ATOM 113 C ASP A 8 -13.546 2.451 -12.497 1.00 1.00 C ATOM 114 O ASP A 8 -13.234 1.293 -12.776 1.00 1.00 O ATOM 115 CB ASP A 8 -15.547 1.534 -11.274 1.00 1.00 C ATOM 116 CG ASP A 8 -16.993 1.821 -10.885 1.00 1.00 C ATOM 117 OD1 ASP A 8 -17.260 2.931 -10.453 1.00 1.00 O ATOM 118 OD2 ASP A 8 -17.816 0.930 -11.029 1.00 1.00 O ATOM 0 H ASP A 8 -16.312 4.128 -12.768 1.00 1.00 H new ATOM 0 HA ASP A 8 -14.824 3.575 -11.216 1.00 1.00 H new ATOM 0 HB2 ASP A 8 -15.503 0.682 -11.953 1.00 1.00 H new ATOM 0 HB3 ASP A 8 -14.967 1.267 -10.391 1.00 1.00 H new ATOM 123 N PRO A 9 -12.684 3.417 -12.654 1.00 1.00 N ATOM 124 CA PRO A 9 -11.294 3.187 -13.176 1.00 1.00 C ATOM 125 C PRO A 9 -10.497 2.189 -12.327 1.00 1.00 C ATOM 126 O PRO A 9 -10.653 2.102 -11.109 1.00 1.00 O ATOM 127 CB PRO A 9 -10.630 4.590 -13.126 1.00 1.00 C ATOM 128 CG PRO A 9 -11.771 5.566 -13.099 1.00 1.00 C ATOM 129 CD PRO A 9 -12.918 4.850 -12.365 1.00 1.00 C ATOM 0 HA PRO A 9 -11.318 2.752 -14.175 1.00 1.00 H new ATOM 0 HB2 PRO A 9 -10.000 4.696 -12.243 1.00 1.00 H new ATOM 0 HB3 PRO A 9 -9.992 4.755 -13.994 1.00 1.00 H new ATOM 0 HG2 PRO A 9 -11.489 6.483 -12.582 1.00 1.00 H new ATOM 0 HG3 PRO A 9 -12.069 5.848 -14.109 1.00 1.00 H new ATOM 0 HD2 PRO A 9 -12.894 5.051 -11.294 1.00 1.00 H new ATOM 0 HD3 PRO A 9 -13.892 5.177 -12.729 1.00 1.00 H new ATOM 137 N THR A 10 -9.616 1.438 -12.979 1.00 1.00 N ATOM 138 CA THR A 10 -8.764 0.450 -12.289 1.00 1.00 C ATOM 139 C THR A 10 -7.295 0.800 -12.481 1.00 1.00 C ATOM 140 O THR A 10 -6.728 0.631 -13.560 1.00 1.00 O ATOM 141 CB THR A 10 -9.029 -0.952 -12.844 1.00 1.00 C ATOM 142 OG1 THR A 10 -10.408 -1.257 -12.698 1.00 1.00 O ATOM 143 CG2 THR A 10 -8.194 -1.988 -12.077 1.00 1.00 C ATOM 0 H THR A 10 -9.466 1.488 -13.987 1.00 1.00 H new ATOM 0 HA THR A 10 -9.003 0.468 -11.226 1.00 1.00 H new ATOM 0 HB THR A 10 -8.751 -0.981 -13.898 1.00 1.00 H new ATOM 0 HG1 THR A 10 -10.584 -2.153 -13.053 1.00 1.00 H new ATOM 0 HG21 THR A 10 -8.389 -2.982 -12.479 1.00 1.00 H new ATOM 0 HG22 THR A 10 -7.135 -1.754 -12.186 1.00 1.00 H new ATOM 0 HG23 THR A 10 -8.464 -1.964 -11.021 1.00 1.00 H new ATOM 151 N LEU A 11 -6.668 1.290 -11.417 1.00 1.00 N ATOM 152 CA LEU A 11 -5.248 1.671 -11.451 1.00 1.00 C ATOM 153 C LEU A 11 -4.448 0.824 -10.475 1.00 1.00 C ATOM 154 O LEU A 11 -4.954 0.332 -9.466 1.00 1.00 O ATOM 155 CB LEU A 11 -5.108 3.161 -11.101 1.00 1.00 C ATOM 156 CG LEU A 11 -5.828 4.038 -12.174 1.00 1.00 C ATOM 157 CD1 LEU A 11 -6.215 5.394 -11.571 1.00 1.00 C ATOM 158 CD2 LEU A 11 -4.905 4.295 -13.382 1.00 1.00 C ATOM 0 H LEU A 11 -7.118 1.436 -10.513 1.00 1.00 H new ATOM 0 HA LEU A 11 -4.857 1.499 -12.454 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -5.537 3.353 -10.117 1.00 1.00 H new ATOM 0 HB3 LEU A 11 -4.054 3.432 -11.048 1.00 1.00 H new ATOM 0 HG LEU A 11 -6.717 3.499 -12.501 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -6.716 5.998 -12.327 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -6.886 5.238 -10.727 1.00 1.00 H new ATOM 0 HD13 LEU A 11 -5.317 5.910 -11.230 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -5.428 4.908 -14.116 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -4.007 4.815 -13.049 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -4.627 3.344 -13.836 1.00 1.00 H new ATOM 170 N THR A 12 -3.166 0.650 -10.782 1.00 1.00 N ATOM 171 CA THR A 12 -2.268 -0.157 -9.937 1.00 1.00 C ATOM 172 C THR A 12 -1.152 0.702 -9.371 1.00 1.00 C ATOM 173 O THR A 12 -0.411 1.355 -10.106 1.00 1.00 O ATOM 174 CB THR A 12 -1.654 -1.293 -10.761 1.00 1.00 C ATOM 175 OG1 THR A 12 -2.695 -2.051 -11.358 1.00 1.00 O ATOM 176 CG2 THR A 12 -0.814 -2.204 -9.853 1.00 1.00 C ATOM 0 H THR A 12 -2.719 1.053 -11.606 1.00 1.00 H new ATOM 0 HA THR A 12 -2.854 -0.571 -9.116 1.00 1.00 H new ATOM 0 HB THR A 12 -1.012 -0.872 -11.535 1.00 1.00 H new ATOM 0 HG1 THR A 12 -2.307 -2.778 -11.888 1.00 1.00 H new ATOM 0 HG21 THR A 12 -0.381 -3.009 -10.446 1.00 1.00 H new ATOM 0 HG22 THR A 12 -0.015 -1.622 -9.393 1.00 1.00 H new ATOM 0 HG23 THR A 12 -1.449 -2.628 -9.075 1.00 1.00 H new ATOM 184 N LEU A 13 -1.041 0.700 -8.047 1.00 1.00 N ATOM 185 CA LEU A 13 -0.006 1.487 -7.357 1.00 1.00 C ATOM 186 C LEU A 13 1.017 0.561 -6.693 1.00 1.00 C ATOM 187 O LEU A 13 0.675 -0.516 -6.205 1.00 1.00 O ATOM 188 CB LEU A 13 -0.673 2.419 -6.288 1.00 1.00 C ATOM 189 CG LEU A 13 -0.201 3.887 -6.437 1.00 1.00 C ATOM 190 CD1 LEU A 13 1.332 3.973 -6.254 1.00 1.00 C ATOM 191 CD2 LEU A 13 -0.624 4.468 -7.820 1.00 1.00 C ATOM 0 H LEU A 13 -1.649 0.167 -7.425 1.00 1.00 H new ATOM 0 HA LEU A 13 0.515 2.104 -8.089 1.00 1.00 H new ATOM 0 HB2 LEU A 13 -1.757 2.373 -6.390 1.00 1.00 H new ATOM 0 HB3 LEU A 13 -0.431 2.058 -5.288 1.00 1.00 H new ATOM 0 HG LEU A 13 -0.680 4.485 -5.662 1.00 1.00 H new ATOM 0 HD11 LEU A 13 1.654 5.009 -6.361 1.00 1.00 H new ATOM 0 HD12 LEU A 13 1.601 3.610 -5.262 1.00 1.00 H new ATOM 0 HD13 LEU A 13 1.824 3.361 -7.010 1.00 1.00 H new ATOM 0 HD21 LEU A 13 -0.282 5.500 -7.901 1.00 1.00 H new ATOM 0 HD22 LEU A 13 -0.177 3.873 -8.617 1.00 1.00 H new ATOM 0 HD23 LEU A 13 -1.710 4.438 -7.911 1.00 1.00 H new ATOM 203 N SER A 14 2.274 0.990 -6.664 1.00 1.00 N ATOM 204 CA SER A 14 3.342 0.216 -6.038 1.00 1.00 C ATOM 205 C SER A 14 3.409 0.534 -4.548 1.00 1.00 C ATOM 206 O SER A 14 2.989 1.603 -4.103 1.00 1.00 O ATOM 207 CB SER A 14 4.684 0.548 -6.690 1.00 1.00 C ATOM 208 OG SER A 14 5.006 1.908 -6.432 1.00 1.00 O ATOM 0 H SER A 14 2.580 1.875 -7.069 1.00 1.00 H new ATOM 0 HA SER A 14 3.131 -0.845 -6.173 1.00 1.00 H new ATOM 0 HB2 SER A 14 5.464 -0.104 -6.296 1.00 1.00 H new ATOM 0 HB3 SER A 14 4.633 0.371 -7.764 1.00 1.00 H new ATOM 0 HG SER A 14 5.867 2.125 -6.847 1.00 1.00 H new ATOM 214 N LEU A 15 3.944 -0.403 -3.773 1.00 1.00 N ATOM 215 CA LEU A 15 4.065 -0.220 -2.318 1.00 1.00 C ATOM 216 C LEU A 15 5.448 0.319 -1.953 1.00 1.00 C ATOM 217 O LEU A 15 6.474 -0.219 -2.373 1.00 1.00 O ATOM 218 CB LEU A 15 3.828 -1.567 -1.619 1.00 1.00 C ATOM 219 CG LEU A 15 3.838 -1.417 -0.074 1.00 1.00 C ATOM 220 CD1 LEU A 15 2.630 -0.578 0.414 1.00 1.00 C ATOM 221 CD2 LEU A 15 3.789 -2.814 0.565 1.00 1.00 C ATOM 0 H LEU A 15 4.301 -1.294 -4.118 1.00 1.00 H new ATOM 0 HA LEU A 15 3.319 0.504 -1.989 1.00 1.00 H new ATOM 0 HB2 LEU A 15 2.872 -1.981 -1.939 1.00 1.00 H new ATOM 0 HB3 LEU A 15 4.599 -2.276 -1.922 1.00 1.00 H new ATOM 0 HG LEU A 15 4.751 -0.899 0.221 1.00 1.00 H new ATOM 0 HD11 LEU A 15 2.663 -0.490 1.500 1.00 1.00 H new ATOM 0 HD12 LEU A 15 2.673 0.416 -0.032 1.00 1.00 H new ATOM 0 HD13 LEU A 15 1.703 -1.069 0.118 1.00 1.00 H new ATOM 0 HD21 LEU A 15 3.796 -2.718 1.651 1.00 1.00 H new ATOM 0 HD22 LEU A 15 2.879 -3.326 0.252 1.00 1.00 H new ATOM 0 HD23 LEU A 15 4.657 -3.390 0.246 1.00 1.00 H new ATOM 233 N ILE A 16 5.477 1.385 -1.160 1.00 1.00 N ATOM 234 CA ILE A 16 6.744 2.005 -0.718 1.00 1.00 C ATOM 235 C ILE A 16 6.784 2.142 0.805 1.00 1.00 C ATOM 236 O ILE A 16 5.759 2.334 1.460 1.00 1.00 O ATOM 237 CB ILE A 16 6.915 3.382 -1.383 1.00 1.00 C ATOM 238 CG1 ILE A 16 5.750 4.325 -1.004 1.00 1.00 C ATOM 239 CG2 ILE A 16 6.941 3.193 -2.905 1.00 1.00 C ATOM 240 CD1 ILE A 16 6.058 5.746 -1.492 1.00 1.00 C ATOM 0 H ILE A 16 4.640 1.847 -0.803 1.00 1.00 H new ATOM 0 HA ILE A 16 7.568 1.358 -1.021 1.00 1.00 H new ATOM 0 HB ILE A 16 7.846 3.830 -1.037 1.00 1.00 H new ATOM 0 HG12 ILE A 16 4.821 3.970 -1.451 1.00 1.00 H new ATOM 0 HG13 ILE A 16 5.605 4.324 0.076 1.00 1.00 H new ATOM 0 HG21 ILE A 16 7.062 4.162 -3.390 1.00 1.00 H new ATOM 0 HG22 ILE A 16 7.774 2.545 -3.177 1.00 1.00 H new ATOM 0 HG23 ILE A 16 6.006 2.738 -3.231 1.00 1.00 H new ATOM 0 HD11 ILE A 16 5.235 6.409 -1.224 1.00 1.00 H new ATOM 0 HD12 ILE A 16 6.977 6.100 -1.025 1.00 1.00 H new ATOM 0 HD13 ILE A 16 6.181 5.740 -2.575 1.00 1.00 H new ATOM 252 N ALA A 17 7.979 2.059 1.381 1.00 1.00 N ATOM 253 CA ALA A 17 8.141 2.173 2.842 1.00 1.00 C ATOM 254 C ALA A 17 8.432 3.617 3.249 1.00 1.00 C ATOM 255 O ALA A 17 9.542 4.116 3.064 1.00 1.00 O ATOM 256 CB ALA A 17 9.288 1.279 3.294 1.00 1.00 C ATOM 0 H ALA A 17 8.850 1.914 0.870 1.00 1.00 H new ATOM 0 HA ALA A 17 7.212 1.860 3.319 1.00 1.00 H new ATOM 0 HB1 ALA A 17 9.410 1.362 4.374 1.00 1.00 H new ATOM 0 HB2 ALA A 17 9.068 0.244 3.032 1.00 1.00 H new ATOM 0 HB3 ALA A 17 10.208 1.591 2.800 1.00 1.00 H new ATOM 262 N LYS A 18 7.431 4.291 3.805 1.00 1.00 N ATOM 263 CA LYS A 18 7.592 5.694 4.226 1.00 1.00 C ATOM 264 C LYS A 18 8.240 5.778 5.596 1.00 1.00 C ATOM 265 O LYS A 18 7.665 6.314 6.545 1.00 1.00 O ATOM 266 CB LYS A 18 6.211 6.387 4.245 1.00 1.00 C ATOM 267 CG LYS A 18 6.365 7.917 4.176 1.00 1.00 C ATOM 268 CD LYS A 18 4.979 8.566 4.045 1.00 1.00 C ATOM 269 CE LYS A 18 5.135 10.070 3.819 1.00 1.00 C ATOM 270 NZ LYS A 18 5.938 10.307 2.586 1.00 1.00 N ATOM 0 H LYS A 18 6.505 3.901 3.977 1.00 1.00 H new ATOM 0 HA LYS A 18 8.244 6.201 3.514 1.00 1.00 H new ATOM 0 HB2 LYS A 18 5.613 6.039 3.403 1.00 1.00 H new ATOM 0 HB3 LYS A 18 5.674 6.112 5.153 1.00 1.00 H new ATOM 0 HG2 LYS A 18 6.867 8.283 5.072 1.00 1.00 H new ATOM 0 HG3 LYS A 18 6.989 8.192 3.326 1.00 1.00 H new ATOM 0 HD2 LYS A 18 4.434 8.118 3.214 1.00 1.00 H new ATOM 0 HD3 LYS A 18 4.394 8.382 4.946 1.00 1.00 H new ATOM 0 HE2 LYS A 18 4.155 10.538 3.723 1.00 1.00 H new ATOM 0 HE3 LYS A 18 5.624 10.529 4.678 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 5.717 11.248 2.203 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 6.951 10.256 2.816 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 5.707 9.582 1.877 1.00 1.00 H new ATOM 284 N ASN A 19 9.447 5.236 5.709 1.00 1.00 N ATOM 285 CA ASN A 19 10.173 5.246 6.978 1.00 1.00 C ATOM 286 C ASN A 19 11.430 4.382 6.870 1.00 1.00 C ATOM 287 O ASN A 19 12.540 4.885 6.703 1.00 1.00 O ATOM 288 CB ASN A 19 9.257 4.723 8.125 1.00 1.00 C ATOM 289 CG ASN A 19 8.320 3.636 7.594 1.00 1.00 C ATOM 290 OD1 ASN A 19 8.717 2.815 6.769 1.00 1.00 O ATOM 291 ND2 ASN A 19 7.083 3.600 8.002 1.00 1.00 N ATOM 0 H ASN A 19 9.944 4.785 4.941 1.00 1.00 H new ATOM 0 HA ASN A 19 10.469 6.270 7.206 1.00 1.00 H new ATOM 0 HB2 ASN A 19 9.867 4.324 8.935 1.00 1.00 H new ATOM 0 HB3 ASN A 19 8.674 5.546 8.540 1.00 1.00 H new ATOM 0 HD21 ASN A 19 6.446 2.892 7.637 1.00 1.00 H new ATOM 0 HD22 ASN A 19 6.752 4.280 8.686 1.00 1.00 H new ATOM 298 N THR A 20 11.245 3.071 6.982 1.00 1.00 N ATOM 299 CA THR A 20 12.357 2.120 6.908 1.00 1.00 C ATOM 300 C THR A 20 13.524 2.540 7.819 1.00 1.00 C ATOM 301 O THR A 20 14.571 2.937 7.308 1.00 1.00 O ATOM 302 CB THR A 20 12.856 2.009 5.456 1.00 1.00 C ATOM 303 OG1 THR A 20 11.745 1.853 4.595 1.00 1.00 O ATOM 304 CG2 THR A 20 13.785 0.795 5.315 1.00 1.00 C ATOM 0 H THR A 20 10.333 2.638 7.125 1.00 1.00 H new ATOM 0 HA THR A 20 11.989 1.153 7.250 1.00 1.00 H new ATOM 0 HB THR A 20 13.406 2.912 5.192 1.00 1.00 H new ATOM 0 HG1 THR A 20 11.626 2.668 4.063 1.00 1.00 H new ATOM 0 HG21 THR A 20 14.135 0.722 4.285 1.00 1.00 H new ATOM 0 HG22 THR A 20 14.640 0.912 5.981 1.00 1.00 H new ATOM 0 HG23 THR A 20 13.241 -0.112 5.579 1.00 1.00 H new ATOM 312 N PRO A 21 13.386 2.461 9.113 1.00 1.00 N ATOM 313 CA PRO A 21 14.485 2.851 10.049 1.00 1.00 C ATOM 314 C PRO A 21 15.682 1.906 9.935 1.00 1.00 C ATOM 315 O PRO A 21 15.524 0.699 9.748 1.00 1.00 O ATOM 316 CB PRO A 21 13.824 2.787 11.455 1.00 1.00 C ATOM 317 CG PRO A 21 12.666 1.837 11.299 1.00 1.00 C ATOM 318 CD PRO A 21 12.181 1.997 9.848 1.00 1.00 C ATOM 0 HA PRO A 21 14.890 3.839 9.830 1.00 1.00 H new ATOM 0 HB2 PRO A 21 14.529 2.430 12.206 1.00 1.00 H new ATOM 0 HB3 PRO A 21 13.486 3.772 11.777 1.00 1.00 H new ATOM 0 HG2 PRO A 21 12.974 0.810 11.497 1.00 1.00 H new ATOM 0 HG3 PRO A 21 11.870 2.073 12.005 1.00 1.00 H new ATOM 0 HD2 PRO A 21 11.807 1.055 9.446 1.00 1.00 H new ATOM 0 HD3 PRO A 21 11.368 2.719 9.777 1.00 1.00 H new ATOM 326 N ALA A 22 16.889 2.448 10.060 1.00 1.00 N ATOM 327 CA ALA A 22 18.119 1.662 9.978 1.00 1.00 C ATOM 328 C ALA A 22 18.051 0.410 10.856 1.00 1.00 C ATOM 329 O ALA A 22 17.022 0.098 11.453 1.00 1.00 O ATOM 330 CB ALA A 22 19.307 2.521 10.418 1.00 1.00 C ATOM 0 H ALA A 22 17.044 3.443 10.221 1.00 1.00 H new ATOM 0 HA ALA A 22 18.243 1.345 8.943 1.00 1.00 H new ATOM 0 HB1 ALA A 22 20.223 1.934 10.356 1.00 1.00 H new ATOM 0 HB2 ALA A 22 19.389 3.390 9.766 1.00 1.00 H new ATOM 0 HB3 ALA A 22 19.156 2.851 11.446 1.00 1.00 H new ATOM 336 N ASN A 23 19.156 -0.325 10.921 1.00 1.00 N ATOM 337 CA ASN A 23 19.232 -1.557 11.719 1.00 1.00 C ATOM 338 C ASN A 23 18.456 -2.694 11.050 1.00 1.00 C ATOM 339 O ASN A 23 18.746 -3.872 11.261 1.00 1.00 O ATOM 340 CB ASN A 23 18.682 -1.320 13.151 1.00 1.00 C ATOM 341 CG ASN A 23 19.093 0.061 13.643 1.00 1.00 C ATOM 342 OD1 ASN A 23 18.248 0.845 14.078 1.00 1.00 O ATOM 343 ND2 ASN A 23 20.348 0.410 13.598 1.00 1.00 N ATOM 0 H ASN A 23 20.019 -0.092 10.430 1.00 1.00 H new ATOM 0 HA ASN A 23 20.282 -1.842 11.785 1.00 1.00 H new ATOM 0 HB2 ASN A 23 17.595 -1.407 13.151 1.00 1.00 H new ATOM 0 HB3 ASN A 23 19.063 -2.085 13.827 1.00 1.00 H new ATOM 0 HD21 ASN A 23 20.632 1.334 13.923 1.00 1.00 H new ATOM 0 HD22 ASN A 23 21.046 -0.241 13.237 1.00 1.00 H new ATOM 350 N SER A 24 17.462 -2.340 10.243 1.00 1.00 N ATOM 351 CA SER A 24 16.628 -3.329 9.543 1.00 1.00 C ATOM 352 C SER A 24 16.446 -2.939 8.082 1.00 1.00 C ATOM 353 O SER A 24 16.449 -1.764 7.715 1.00 1.00 O ATOM 354 CB SER A 24 15.257 -3.421 10.226 1.00 1.00 C ATOM 355 OG SER A 24 14.302 -3.931 9.304 1.00 1.00 O ATOM 0 H SER A 24 17.208 -1.371 10.052 1.00 1.00 H new ATOM 0 HA SER A 24 17.126 -4.298 9.586 1.00 1.00 H new ATOM 0 HB2 SER A 24 15.317 -4.069 11.100 1.00 1.00 H new ATOM 0 HB3 SER A 24 14.948 -2.437 10.579 1.00 1.00 H new ATOM 0 HG SER A 24 13.416 -3.569 9.517 1.00 1.00 H new ATOM 361 N MET A 25 16.291 -3.949 7.233 1.00 1.00 N ATOM 362 CA MET A 25 16.107 -3.733 5.792 1.00 1.00 C ATOM 363 C MET A 25 15.133 -4.757 5.221 1.00 1.00 C ATOM 364 O MET A 25 15.122 -5.922 5.620 1.00 1.00 O ATOM 365 CB MET A 25 17.459 -3.833 5.076 1.00 1.00 C ATOM 366 CG MET A 25 18.139 -5.162 5.420 1.00 1.00 C ATOM 367 SD MET A 25 19.746 -5.254 4.581 1.00 1.00 S ATOM 368 CE MET A 25 19.177 -5.956 3.008 1.00 1.00 C ATOM 0 H MET A 25 16.288 -4.930 7.513 1.00 1.00 H new ATOM 0 HA MET A 25 15.692 -2.737 5.635 1.00 1.00 H new ATOM 0 HB2 MET A 25 17.315 -3.757 3.998 1.00 1.00 H new ATOM 0 HB3 MET A 25 18.098 -3.001 5.371 1.00 1.00 H new ATOM 0 HG2 MET A 25 18.274 -5.245 6.498 1.00 1.00 H new ATOM 0 HG3 MET A 25 17.508 -5.996 5.113 1.00 1.00 H new ATOM 0 HE1 MET A 25 20.028 -6.092 2.341 1.00 1.00 H new ATOM 0 HE2 MET A 25 18.701 -6.920 3.190 1.00 1.00 H new ATOM 0 HE3 MET A 25 18.459 -5.279 2.546 1.00 1.00 H new ATOM 378 N ILE A 26 14.308 -4.318 4.277 1.00 1.00 N ATOM 379 CA ILE A 26 13.314 -5.200 3.656 1.00 1.00 C ATOM 380 C ILE A 26 13.924 -5.964 2.480 1.00 1.00 C ATOM 381 O ILE A 26 14.369 -5.378 1.492 1.00 1.00 O ATOM 382 CB ILE A 26 12.123 -4.367 3.149 1.00 1.00 C ATOM 383 CG1 ILE A 26 11.489 -3.613 4.336 1.00 1.00 C ATOM 384 CG2 ILE A 26 11.066 -5.300 2.513 1.00 1.00 C ATOM 385 CD1 ILE A 26 10.501 -2.563 3.826 1.00 1.00 C ATOM 0 H ILE A 26 14.304 -3.361 3.923 1.00 1.00 H new ATOM 0 HA ILE A 26 12.977 -5.915 4.407 1.00 1.00 H new ATOM 0 HB ILE A 26 12.472 -3.654 2.401 1.00 1.00 H new ATOM 0 HG12 ILE A 26 10.977 -4.317 4.992 1.00 1.00 H new ATOM 0 HG13 ILE A 26 12.267 -3.133 4.929 1.00 1.00 H new ATOM 0 HG21 ILE A 26 10.225 -4.706 2.155 1.00 1.00 H new ATOM 0 HG22 ILE A 26 11.512 -5.838 1.677 1.00 1.00 H new ATOM 0 HG23 ILE A 26 10.715 -6.014 3.258 1.00 1.00 H new ATOM 0 HD11 ILE A 26 10.060 -2.037 4.673 1.00 1.00 H new ATOM 0 HD12 ILE A 26 11.024 -1.850 3.189 1.00 1.00 H new ATOM 0 HD13 ILE A 26 9.714 -3.052 3.253 1.00 1.00 H new ATOM 397 N MET A 27 13.928 -7.289 2.586 1.00 1.00 N ATOM 398 CA MET A 27 14.461 -8.153 1.522 1.00 1.00 C ATOM 399 C MET A 27 13.307 -8.683 0.665 1.00 1.00 C ATOM 400 O MET A 27 13.514 -9.328 -0.364 1.00 1.00 O ATOM 401 CB MET A 27 15.245 -9.318 2.139 1.00 1.00 C ATOM 402 CG MET A 27 14.410 -9.982 3.233 1.00 1.00 C ATOM 403 SD MET A 27 15.284 -11.444 3.856 1.00 1.00 S ATOM 404 CE MET A 27 14.625 -12.655 2.680 1.00 1.00 C ATOM 0 H MET A 27 13.569 -7.794 3.396 1.00 1.00 H new ATOM 0 HA MET A 27 15.135 -7.575 0.890 1.00 1.00 H new ATOM 0 HB2 MET A 27 15.498 -10.047 1.369 1.00 1.00 H new ATOM 0 HB3 MET A 27 16.185 -8.956 2.556 1.00 1.00 H new ATOM 0 HG2 MET A 27 14.230 -9.278 4.046 1.00 1.00 H new ATOM 0 HG3 MET A 27 13.435 -10.268 2.838 1.00 1.00 H new ATOM 0 HE1 MET A 27 15.046 -13.637 2.895 1.00 1.00 H new ATOM 0 HE2 MET A 27 13.540 -12.697 2.771 1.00 1.00 H new ATOM 0 HE3 MET A 27 14.893 -12.360 1.665 1.00 1.00 H new ATOM 414 N THR A 28 12.080 -8.404 1.090 1.00 1.00 N ATOM 415 CA THR A 28 10.885 -8.840 0.355 1.00 1.00 C ATOM 416 C THR A 28 10.569 -7.833 -0.745 1.00 1.00 C ATOM 417 O THR A 28 10.609 -6.623 -0.527 1.00 1.00 O ATOM 418 CB THR A 28 9.687 -8.950 1.315 1.00 1.00 C ATOM 419 OG1 THR A 28 10.008 -9.852 2.360 1.00 1.00 O ATOM 420 CG2 THR A 28 8.454 -9.469 0.565 1.00 1.00 C ATOM 0 H THR A 28 11.880 -7.877 1.940 1.00 1.00 H new ATOM 0 HA THR A 28 11.075 -9.817 -0.089 1.00 1.00 H new ATOM 0 HB THR A 28 9.468 -7.964 1.725 1.00 1.00 H new ATOM 0 HG1 THR A 28 9.248 -9.924 2.975 1.00 1.00 H new ATOM 0 HG21 THR A 28 7.613 -9.543 1.255 1.00 1.00 H new ATOM 0 HG22 THR A 28 8.203 -8.781 -0.242 1.00 1.00 H new ATOM 0 HG23 THR A 28 8.669 -10.453 0.149 1.00 1.00 H new ATOM 428 N LYS A 29 10.240 -8.309 -1.942 1.00 1.00 N ATOM 429 CA LYS A 29 9.930 -7.414 -3.053 1.00 1.00 C ATOM 430 C LYS A 29 8.627 -6.670 -2.786 1.00 1.00 C ATOM 431 O LYS A 29 7.579 -7.274 -2.558 1.00 1.00 O ATOM 432 CB LYS A 29 9.821 -8.210 -4.354 1.00 1.00 C ATOM 433 CG LYS A 29 9.653 -7.250 -5.539 1.00 1.00 C ATOM 434 CD LYS A 29 9.688 -8.042 -6.844 1.00 1.00 C ATOM 435 CE LYS A 29 9.553 -7.077 -8.023 1.00 1.00 C ATOM 436 NZ LYS A 29 8.233 -6.390 -7.958 1.00 1.00 N ATOM 0 H LYS A 29 10.181 -9.302 -2.167 1.00 1.00 H new ATOM 0 HA LYS A 29 10.735 -6.686 -3.149 1.00 1.00 H new ATOM 0 HB2 LYS A 29 10.713 -8.821 -4.493 1.00 1.00 H new ATOM 0 HB3 LYS A 29 8.972 -8.892 -4.304 1.00 1.00 H new ATOM 0 HG2 LYS A 29 8.709 -6.711 -5.453 1.00 1.00 H new ATOM 0 HG3 LYS A 29 10.448 -6.504 -5.532 1.00 1.00 H new ATOM 0 HD2 LYS A 29 10.622 -8.599 -6.920 1.00 1.00 H new ATOM 0 HD3 LYS A 29 8.879 -8.772 -6.862 1.00 1.00 H new ATOM 0 HE2 LYS A 29 10.358 -6.343 -7.999 1.00 1.00 H new ATOM 0 HE3 LYS A 29 9.645 -7.621 -8.963 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 7.993 -6.009 -8.896 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 7.502 -7.069 -7.663 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 8.280 -5.612 -7.270 1.00 1.00 H new ATOM 450 N LEU A 30 8.702 -5.343 -2.812 1.00 1.00 N ATOM 451 CA LEU A 30 7.537 -4.496 -2.547 1.00 1.00 C ATOM 452 C LEU A 30 6.331 -4.869 -3.441 1.00 1.00 C ATOM 453 O LEU A 30 6.325 -4.491 -4.614 1.00 1.00 O ATOM 454 CB LEU A 30 7.944 -3.020 -2.759 1.00 1.00 C ATOM 455 CG LEU A 30 8.652 -2.464 -1.487 1.00 1.00 C ATOM 456 CD1 LEU A 30 7.657 -2.364 -0.283 1.00 1.00 C ATOM 457 CD2 LEU A 30 9.843 -3.382 -1.119 1.00 1.00 C ATOM 0 H LEU A 30 9.558 -4.827 -3.014 1.00 1.00 H new ATOM 0 HA LEU A 30 7.216 -4.652 -1.517 1.00 1.00 H new ATOM 0 HB2 LEU A 30 8.610 -2.940 -3.618 1.00 1.00 H new ATOM 0 HB3 LEU A 30 7.061 -2.421 -2.983 1.00 1.00 H new ATOM 0 HG LEU A 30 9.016 -1.459 -1.703 1.00 1.00 H new ATOM 0 HD11 LEU A 30 8.180 -1.973 0.590 1.00 1.00 H new ATOM 0 HD12 LEU A 30 6.836 -1.696 -0.544 1.00 1.00 H new ATOM 0 HD13 LEU A 30 7.261 -3.354 -0.055 1.00 1.00 H new ATOM 0 HD21 LEU A 30 10.340 -2.995 -0.229 1.00 1.00 H new ATOM 0 HD22 LEU A 30 9.478 -4.390 -0.921 1.00 1.00 H new ATOM 0 HD23 LEU A 30 10.551 -3.409 -1.947 1.00 1.00 H new ATOM 469 N PRO A 31 5.347 -5.555 -2.929 1.00 1.00 N ATOM 470 CA PRO A 31 4.132 -5.948 -3.728 1.00 1.00 C ATOM 471 C PRO A 31 3.287 -4.742 -4.177 1.00 1.00 C ATOM 472 O PRO A 31 3.299 -3.673 -3.566 1.00 1.00 O ATOM 473 CB PRO A 31 3.336 -6.862 -2.745 1.00 1.00 C ATOM 474 CG PRO A 31 4.357 -7.301 -1.753 1.00 1.00 C ATOM 475 CD PRO A 31 5.201 -6.065 -1.540 1.00 1.00 C ATOM 0 HA PRO A 31 4.403 -6.441 -4.662 1.00 1.00 H new ATOM 0 HB2 PRO A 31 2.522 -6.319 -2.266 1.00 1.00 H new ATOM 0 HB3 PRO A 31 2.891 -7.712 -3.262 1.00 1.00 H new ATOM 0 HG2 PRO A 31 3.895 -7.636 -0.824 1.00 1.00 H new ATOM 0 HG3 PRO A 31 4.952 -8.132 -2.131 1.00 1.00 H new ATOM 0 HD2 PRO A 31 4.711 -5.342 -0.888 1.00 1.00 H new ATOM 0 HD3 PRO A 31 6.164 -6.300 -1.087 1.00 1.00 H new ATOM 483 N SER A 32 2.527 -4.922 -5.253 1.00 1.00 N ATOM 484 CA SER A 32 1.665 -3.852 -5.782 1.00 1.00 C ATOM 485 C SER A 32 0.255 -3.952 -5.208 1.00 1.00 C ATOM 486 O SER A 32 -0.123 -4.974 -4.636 1.00 1.00 O ATOM 487 CB SER A 32 1.600 -3.945 -7.307 1.00 1.00 C ATOM 488 OG SER A 32 0.941 -5.148 -7.676 1.00 1.00 O ATOM 0 H SER A 32 2.485 -5.794 -5.780 1.00 1.00 H new ATOM 0 HA SER A 32 2.093 -2.894 -5.488 1.00 1.00 H new ATOM 0 HB2 SER A 32 1.067 -3.085 -7.713 1.00 1.00 H new ATOM 0 HB3 SER A 32 2.605 -3.924 -7.727 1.00 1.00 H new ATOM 0 HG SER A 32 0.896 -5.210 -8.653 1.00 1.00 H new ATOM 494 N VAL A 33 -0.524 -2.887 -5.372 1.00 1.00 N ATOM 495 CA VAL A 33 -1.910 -2.848 -4.871 1.00 1.00 C ATOM 496 C VAL A 33 -2.846 -2.208 -5.898 1.00 1.00 C ATOM 497 O VAL A 33 -2.534 -1.172 -6.485 1.00 1.00 O ATOM 498 CB VAL A 33 -1.972 -2.060 -3.541 1.00 1.00 C ATOM 499 CG1 VAL A 33 -0.877 -2.565 -2.596 1.00 1.00 C ATOM 500 CG2 VAL A 33 -1.767 -0.552 -3.787 1.00 1.00 C ATOM 0 H VAL A 33 -0.226 -2.035 -5.847 1.00 1.00 H new ATOM 0 HA VAL A 33 -2.238 -3.873 -4.699 1.00 1.00 H new ATOM 0 HB VAL A 33 -2.955 -2.214 -3.096 1.00 1.00 H new ATOM 0 HG11 VAL A 33 -0.921 -2.010 -1.659 1.00 1.00 H new ATOM 0 HG12 VAL A 33 -1.029 -3.626 -2.397 1.00 1.00 H new ATOM 0 HG13 VAL A 33 0.099 -2.419 -3.059 1.00 1.00 H new ATOM 0 HG21 VAL A 33 -1.815 -0.019 -2.838 1.00 1.00 H new ATOM 0 HG22 VAL A 33 -0.793 -0.388 -4.247 1.00 1.00 H new ATOM 0 HG23 VAL A 33 -2.549 -0.182 -4.451 1.00 1.00 H new ATOM 510 N ARG A 34 -4.007 -2.822 -6.107 1.00 1.00 N ATOM 511 CA ARG A 34 -5.009 -2.307 -7.047 1.00 1.00 C ATOM 512 C ARG A 34 -6.065 -1.522 -6.285 1.00 1.00 C ATOM 513 O ARG A 34 -6.635 -2.004 -5.306 1.00 1.00 O ATOM 514 CB ARG A 34 -5.655 -3.481 -7.792 1.00 1.00 C ATOM 515 CG ARG A 34 -6.373 -4.420 -6.793 1.00 1.00 C ATOM 516 CD ARG A 34 -6.670 -5.764 -7.462 1.00 1.00 C ATOM 517 NE ARG A 34 -7.517 -5.563 -8.636 1.00 1.00 N ATOM 518 CZ ARG A 34 -8.840 -5.447 -8.535 1.00 1.00 C ATOM 519 NH1 ARG A 34 -9.415 -5.514 -7.362 1.00 1.00 N ATOM 520 NH2 ARG A 34 -9.560 -5.261 -9.607 1.00 1.00 N ATOM 0 H ARG A 34 -4.282 -3.684 -5.636 1.00 1.00 H new ATOM 0 HA ARG A 34 -4.532 -1.645 -7.770 1.00 1.00 H new ATOM 0 HB2 ARG A 34 -6.368 -3.107 -8.527 1.00 1.00 H new ATOM 0 HB3 ARG A 34 -4.894 -4.036 -8.341 1.00 1.00 H new ATOM 0 HG2 ARG A 34 -5.750 -4.572 -5.912 1.00 1.00 H new ATOM 0 HG3 ARG A 34 -7.301 -3.961 -6.452 1.00 1.00 H new ATOM 0 HD2 ARG A 34 -5.738 -6.247 -7.755 1.00 1.00 H new ATOM 0 HD3 ARG A 34 -7.166 -6.429 -6.755 1.00 1.00 H new ATOM 0 HE ARG A 34 -7.083 -5.510 -9.558 1.00 1.00 H new ATOM 0 HH11 ARG A 34 -8.850 -5.655 -6.524 1.00 1.00 H new ATOM 0 HH12 ARG A 34 -10.428 -5.425 -7.285 1.00 1.00 H new ATOM 0 HH21 ARG A 34 -9.110 -5.205 -10.520 1.00 1.00 H new ATOM 0 HH22 ARG A 34 -10.573 -5.172 -9.532 1.00 1.00 H new ATOM 534 N VAL A 35 -6.327 -0.298 -6.730 1.00 1.00 N ATOM 535 CA VAL A 35 -7.313 0.577 -6.075 1.00 1.00 C ATOM 536 C VAL A 35 -8.405 1.022 -7.053 1.00 1.00 C ATOM 537 O VAL A 35 -8.145 1.427 -8.185 1.00 1.00 O ATOM 538 CB VAL A 35 -6.604 1.817 -5.487 1.00 1.00 C ATOM 539 CG1 VAL A 35 -7.507 2.475 -4.441 1.00 1.00 C ATOM 540 CG2 VAL A 35 -5.285 1.392 -4.826 1.00 1.00 C ATOM 0 H VAL A 35 -5.873 0.118 -7.543 1.00 1.00 H new ATOM 0 HA VAL A 35 -7.787 0.009 -5.275 1.00 1.00 H new ATOM 0 HB VAL A 35 -6.397 2.527 -6.288 1.00 1.00 H new ATOM 0 HG11 VAL A 35 -7.006 3.350 -4.027 1.00 1.00 H new ATOM 0 HG12 VAL A 35 -8.443 2.780 -4.909 1.00 1.00 H new ATOM 0 HG13 VAL A 35 -7.716 1.764 -3.642 1.00 1.00 H new ATOM 0 HG21 VAL A 35 -4.787 2.268 -4.412 1.00 1.00 H new ATOM 0 HG22 VAL A 35 -5.491 0.680 -4.027 1.00 1.00 H new ATOM 0 HG23 VAL A 35 -4.639 0.925 -5.570 1.00 1.00 H new ATOM 550 N LYS A 36 -9.649 0.947 -6.590 1.00 1.00 N ATOM 551 CA LYS A 36 -10.815 1.341 -7.401 1.00 1.00 C ATOM 552 C LYS A 36 -11.427 2.635 -6.862 1.00 1.00 C ATOM 553 O LYS A 36 -11.277 2.974 -5.689 1.00 1.00 O ATOM 554 CB LYS A 36 -11.858 0.218 -7.374 1.00 1.00 C ATOM 555 CG LYS A 36 -11.286 -1.031 -8.049 1.00 1.00 C ATOM 556 CD LYS A 36 -12.340 -2.141 -8.043 1.00 1.00 C ATOM 557 CE LYS A 36 -11.763 -3.408 -8.679 1.00 1.00 C ATOM 558 NZ LYS A 36 -11.509 -3.166 -10.127 1.00 1.00 N ATOM 0 H LYS A 36 -9.885 0.617 -5.654 1.00 1.00 H new ATOM 0 HA LYS A 36 -10.492 1.513 -8.428 1.00 1.00 H new ATOM 0 HB2 LYS A 36 -12.137 -0.008 -6.345 1.00 1.00 H new ATOM 0 HB3 LYS A 36 -12.765 0.538 -7.887 1.00 1.00 H new ATOM 0 HG2 LYS A 36 -10.990 -0.801 -9.073 1.00 1.00 H new ATOM 0 HG3 LYS A 36 -10.390 -1.363 -7.525 1.00 1.00 H new ATOM 0 HD2 LYS A 36 -12.657 -2.348 -7.021 1.00 1.00 H new ATOM 0 HD3 LYS A 36 -13.225 -1.818 -8.592 1.00 1.00 H new ATOM 0 HE2 LYS A 36 -10.837 -3.689 -8.178 1.00 1.00 H new ATOM 0 HE3 LYS A 36 -12.458 -4.239 -8.555 1.00 1.00 H new ATOM 0 HZ1 LYS A 36 -11.825 -3.990 -10.677 1.00 1.00 H new ATOM 0 HZ2 LYS A 36 -12.033 -2.322 -10.435 1.00 1.00 H new ATOM 0 HZ3 LYS A 36 -10.491 -3.017 -10.281 1.00 1.00 H new ATOM 572 N THR A 37 -12.127 3.358 -7.732 1.00 1.00 N ATOM 573 CA THR A 37 -12.769 4.633 -7.343 1.00 1.00 C ATOM 574 C THR A 37 -14.167 4.751 -7.937 1.00 1.00 C ATOM 575 O THR A 37 -14.354 4.647 -9.150 1.00 1.00 O ATOM 576 CB THR A 37 -11.931 5.814 -7.836 1.00 1.00 C ATOM 577 OG1 THR A 37 -11.825 5.758 -9.251 1.00 1.00 O ATOM 578 CG2 THR A 37 -10.533 5.760 -7.219 1.00 1.00 C ATOM 0 H THR A 37 -12.270 3.094 -8.707 1.00 1.00 H new ATOM 0 HA THR A 37 -12.841 4.647 -6.255 1.00 1.00 H new ATOM 0 HB THR A 37 -12.416 6.744 -7.539 1.00 1.00 H new ATOM 0 HG1 THR A 37 -11.174 6.424 -9.557 1.00 1.00 H new ATOM 0 HG21 THR A 37 -9.945 6.605 -7.576 1.00 1.00 H new ATOM 0 HG22 THR A 37 -10.613 5.807 -6.133 1.00 1.00 H new ATOM 0 HG23 THR A 37 -10.044 4.830 -7.507 1.00 1.00 H new ATOM 586 N GLU A 38 -15.155 4.976 -7.078 1.00 1.00 N ATOM 587 CA GLU A 38 -16.540 5.113 -7.532 1.00 1.00 C ATOM 588 C GLU A 38 -16.618 6.043 -8.732 1.00 1.00 C ATOM 589 O GLU A 38 -16.922 5.634 -9.852 1.00 1.00 O ATOM 590 CB GLU A 38 -17.432 5.644 -6.386 1.00 1.00 C ATOM 591 CG GLU A 38 -18.922 5.369 -6.673 1.00 1.00 C ATOM 592 CD GLU A 38 -19.403 6.209 -7.854 1.00 1.00 C ATOM 593 OE1 GLU A 38 -18.901 7.310 -8.016 1.00 1.00 O ATOM 594 OE2 GLU A 38 -20.257 5.734 -8.585 1.00 1.00 O ATOM 0 H GLU A 38 -15.028 5.067 -6.070 1.00 1.00 H new ATOM 0 HA GLU A 38 -16.903 4.130 -7.831 1.00 1.00 H new ATOM 0 HB2 GLU A 38 -17.145 5.170 -5.447 1.00 1.00 H new ATOM 0 HB3 GLU A 38 -17.273 6.715 -6.263 1.00 1.00 H new ATOM 0 HG2 GLU A 38 -19.068 4.311 -6.889 1.00 1.00 H new ATOM 0 HG3 GLU A 38 -19.517 5.599 -5.789 1.00 1.00 H new ATOM 601 N GLY A 39 -16.324 7.318 -8.497 1.00 1.00 N ATOM 602 CA GLY A 39 -16.345 8.322 -9.550 1.00 1.00 C ATOM 603 C GLY A 39 -15.382 7.957 -10.672 1.00 1.00 C ATOM 604 O GLY A 39 -15.169 6.780 -10.961 1.00 1.00 O ATOM 0 H GLY A 39 -16.067 7.680 -7.579 1.00 1.00 H new ATOM 0 HA2 GLY A 39 -17.355 8.415 -9.949 1.00 1.00 H new ATOM 0 HA3 GLY A 39 -16.075 9.294 -9.136 1.00 1.00 H new ATOM 608 N TYR A 40 -14.808 8.970 -11.312 1.00 1.00 N ATOM 609 CA TYR A 40 -13.870 8.761 -12.421 1.00 1.00 C ATOM 610 C TYR A 40 -12.727 9.782 -12.366 1.00 1.00 C ATOM 611 O TYR A 40 -12.942 10.993 -12.381 1.00 1.00 O ATOM 612 CB TYR A 40 -14.637 8.864 -13.761 1.00 1.00 C ATOM 613 CG TYR A 40 -15.643 9.995 -13.688 1.00 1.00 C ATOM 614 CD1 TYR A 40 -15.273 11.299 -14.045 1.00 1.00 C ATOM 615 CD2 TYR A 40 -16.952 9.731 -13.265 1.00 1.00 C ATOM 616 CE1 TYR A 40 -16.213 12.335 -13.975 1.00 1.00 C ATOM 617 CE2 TYR A 40 -17.889 10.764 -13.196 1.00 1.00 C ATOM 618 CZ TYR A 40 -17.521 12.066 -13.551 1.00 1.00 C ATOM 619 OH TYR A 40 -18.448 13.084 -13.485 1.00 1.00 O ATOM 0 H TYR A 40 -14.974 9.950 -11.084 1.00 1.00 H new ATOM 0 HA TYR A 40 -13.428 7.768 -12.337 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -13.938 9.039 -14.579 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -15.147 7.924 -13.973 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -14.265 11.505 -14.373 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -17.237 8.726 -12.992 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -15.930 13.341 -14.248 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -18.897 10.558 -12.869 1.00 1.00 H new ATOM 0 HH TYR A 40 -19.305 12.726 -13.173 1.00 1.00 H new ATOM 629 N ASN A 41 -11.498 9.279 -12.308 1.00 1.00 N ATOM 630 CA ASN A 41 -10.292 10.129 -12.260 1.00 1.00 C ATOM 631 C ASN A 41 -9.286 9.729 -13.355 1.00 1.00 C ATOM 632 O ASN A 41 -8.089 9.623 -13.086 1.00 1.00 O ATOM 633 CB ASN A 41 -9.630 9.995 -10.879 1.00 1.00 C ATOM 634 CG ASN A 41 -9.458 8.526 -10.515 1.00 1.00 C ATOM 635 OD1 ASN A 41 -10.435 7.841 -10.207 1.00 1.00 O ATOM 636 ND2 ASN A 41 -8.266 8.002 -10.528 1.00 1.00 N ATOM 0 H ASN A 41 -11.300 8.278 -12.293 1.00 1.00 H new ATOM 0 HA ASN A 41 -10.591 11.163 -12.433 1.00 1.00 H new ATOM 0 HB2 ASN A 41 -8.660 10.491 -10.884 1.00 1.00 H new ATOM 0 HB3 ASN A 41 -10.240 10.494 -10.126 1.00 1.00 H new ATOM 0 HD21 ASN A 41 -8.138 7.020 -10.283 1.00 1.00 H new ATOM 0 HD22 ASN A 41 -7.461 8.573 -10.784 1.00 1.00 H new ATOM 643 N PRO A 42 -9.728 9.525 -14.566 1.00 1.00 N ATOM 644 CA PRO A 42 -8.826 9.150 -15.699 1.00 1.00 C ATOM 645 C PRO A 42 -7.882 10.297 -16.074 1.00 1.00 C ATOM 646 O PRO A 42 -6.961 10.121 -16.871 1.00 1.00 O ATOM 647 CB PRO A 42 -9.805 8.807 -16.849 1.00 1.00 C ATOM 648 CG PRO A 42 -11.041 9.600 -16.536 1.00 1.00 C ATOM 649 CD PRO A 42 -11.133 9.611 -15.006 1.00 1.00 C ATOM 0 HA PRO A 42 -8.165 8.319 -15.453 1.00 1.00 H new ATOM 0 HB2 PRO A 42 -9.391 9.083 -17.819 1.00 1.00 H new ATOM 0 HB3 PRO A 42 -10.017 7.738 -16.885 1.00 1.00 H new ATOM 0 HG2 PRO A 42 -10.971 10.612 -16.934 1.00 1.00 H new ATOM 0 HG3 PRO A 42 -11.925 9.143 -16.981 1.00 1.00 H new ATOM 0 HD2 PRO A 42 -11.611 10.520 -14.641 1.00 1.00 H new ATOM 0 HD3 PRO A 42 -11.720 8.771 -14.635 1.00 1.00 H new ATOM 657 N SER A 43 -8.108 11.472 -15.493 1.00 1.00 N ATOM 658 CA SER A 43 -7.274 12.650 -15.774 1.00 1.00 C ATOM 659 C SER A 43 -7.080 13.496 -14.519 1.00 1.00 C ATOM 660 O SER A 43 -7.705 14.544 -14.354 1.00 1.00 O ATOM 661 CB SER A 43 -7.930 13.498 -16.859 1.00 1.00 C ATOM 662 OG SER A 43 -7.063 14.569 -17.205 1.00 1.00 O ATOM 0 H SER A 43 -8.860 11.640 -14.824 1.00 1.00 H new ATOM 0 HA SER A 43 -6.298 12.303 -16.113 1.00 1.00 H new ATOM 0 HB2 SER A 43 -8.141 12.887 -17.737 1.00 1.00 H new ATOM 0 HB3 SER A 43 -8.885 13.887 -16.505 1.00 1.00 H new ATOM 0 HG SER A 43 -7.481 15.115 -17.903 1.00 1.00 H new ATOM 668 N ILE A 44 -6.202 13.032 -13.637 1.00 1.00 N ATOM 669 CA ILE A 44 -5.894 13.737 -12.384 1.00 1.00 C ATOM 670 C ILE A 44 -4.416 13.569 -12.055 1.00 1.00 C ATOM 671 O ILE A 44 -3.759 12.617 -12.477 1.00 1.00 O ATOM 672 CB ILE A 44 -6.782 13.195 -11.217 1.00 1.00 C ATOM 673 CG1 ILE A 44 -8.200 13.815 -11.317 1.00 1.00 C ATOM 674 CG2 ILE A 44 -6.169 13.542 -9.834 1.00 1.00 C ATOM 675 CD1 ILE A 44 -9.167 13.235 -10.263 1.00 1.00 C ATOM 0 H ILE A 44 -5.683 12.163 -13.763 1.00 1.00 H new ATOM 0 HA ILE A 44 -6.112 14.798 -12.509 1.00 1.00 H new ATOM 0 HB ILE A 44 -6.836 12.110 -11.307 1.00 1.00 H new ATOM 0 HG12 ILE A 44 -8.132 14.895 -11.189 1.00 1.00 H new ATOM 0 HG13 ILE A 44 -8.603 13.637 -12.314 1.00 1.00 H new ATOM 0 HG21 ILE A 44 -6.810 13.151 -9.044 1.00 1.00 H new ATOM 0 HG22 ILE A 44 -5.179 13.094 -9.752 1.00 1.00 H new ATOM 0 HG23 ILE A 44 -6.087 14.624 -9.733 1.00 1.00 H new ATOM 0 HD11 ILE A 44 -10.147 13.700 -10.373 1.00 1.00 H new ATOM 0 HD12 ILE A 44 -9.258 12.158 -10.406 1.00 1.00 H new ATOM 0 HD13 ILE A 44 -8.780 13.437 -9.264 1.00 1.00 H new ATOM 687 N ASN A 45 -3.894 14.510 -11.274 1.00 1.00 N ATOM 688 CA ASN A 45 -2.500 14.477 -10.859 1.00 1.00 C ATOM 689 C ASN A 45 -2.248 13.307 -9.903 1.00 1.00 C ATOM 690 O ASN A 45 -1.747 13.499 -8.795 1.00 1.00 O ATOM 691 CB ASN A 45 -2.149 15.795 -10.156 1.00 1.00 C ATOM 692 CG ASN A 45 -0.650 15.867 -9.879 1.00 1.00 C ATOM 693 OD1 ASN A 45 -0.227 15.771 -8.727 1.00 1.00 O ATOM 694 ND2 ASN A 45 0.178 16.032 -10.872 1.00 1.00 N ATOM 0 H ASN A 45 -4.420 15.307 -10.916 1.00 1.00 H new ATOM 0 HA ASN A 45 -1.874 14.347 -11.742 1.00 1.00 H new ATOM 0 HB2 ASN A 45 -2.451 16.638 -10.778 1.00 1.00 H new ATOM 0 HB3 ASN A 45 -2.702 15.874 -9.220 1.00 1.00 H new ATOM 0 HD21 ASN A 45 1.182 16.082 -10.696 1.00 1.00 H new ATOM 0 HD22 ASN A 45 -0.178 16.111 -11.825 1.00 1.00 H new ATOM 701 N VAL A 46 -2.580 12.092 -10.329 1.00 1.00 N ATOM 702 CA VAL A 46 -2.375 10.901 -9.494 1.00 1.00 C ATOM 703 C VAL A 46 -0.879 10.575 -9.359 1.00 1.00 C ATOM 704 O VAL A 46 -0.499 9.431 -9.112 1.00 1.00 O ATOM 705 CB VAL A 46 -3.121 9.708 -10.112 1.00 1.00 C ATOM 706 CG1 VAL A 46 -4.603 10.070 -10.278 1.00 1.00 C ATOM 707 CG2 VAL A 46 -2.523 9.370 -11.487 1.00 1.00 C ATOM 0 H VAL A 46 -2.991 11.901 -11.243 1.00 1.00 H new ATOM 0 HA VAL A 46 -2.768 11.102 -8.497 1.00 1.00 H new ATOM 0 HB VAL A 46 -3.021 8.843 -9.456 1.00 1.00 H new ATOM 0 HG11 VAL A 46 -5.137 9.227 -10.716 1.00 1.00 H new ATOM 0 HG12 VAL A 46 -5.032 10.304 -9.304 1.00 1.00 H new ATOM 0 HG13 VAL A 46 -4.695 10.937 -10.932 1.00 1.00 H new ATOM 0 HG21 VAL A 46 -3.057 8.523 -11.918 1.00 1.00 H new ATOM 0 HG22 VAL A 46 -2.617 10.233 -12.147 1.00 1.00 H new ATOM 0 HG23 VAL A 46 -1.470 9.114 -11.373 1.00 1.00 H new ATOM 717 N ASN A 47 -0.039 11.591 -9.524 1.00 1.00 N ATOM 718 CA ASN A 47 1.416 11.414 -9.424 1.00 1.00 C ATOM 719 C ASN A 47 1.873 11.575 -7.979 1.00 1.00 C ATOM 720 O ASN A 47 3.070 11.582 -7.686 1.00 1.00 O ATOM 721 CB ASN A 47 2.114 12.456 -10.298 1.00 1.00 C ATOM 722 CG ASN A 47 3.619 12.219 -10.294 1.00 1.00 C ATOM 723 OD1 ASN A 47 4.075 11.114 -10.596 1.00 1.00 O ATOM 724 ND2 ASN A 47 4.421 13.190 -9.962 1.00 1.00 N ATOM 0 H ASN A 47 -0.334 12.546 -9.727 1.00 1.00 H new ATOM 0 HA ASN A 47 1.674 10.411 -9.765 1.00 1.00 H new ATOM 0 HB2 ASN A 47 1.732 12.402 -11.317 1.00 1.00 H new ATOM 0 HB3 ASN A 47 1.895 13.458 -9.929 1.00 1.00 H new ATOM 0 HD21 ASN A 47 5.429 13.037 -9.951 1.00 1.00 H new ATOM 0 HD22 ASN A 47 4.041 14.103 -9.713 1.00 1.00 H new ATOM 731 N GLU A 48 0.904 11.701 -7.079 1.00 1.00 N ATOM 732 CA GLU A 48 1.177 11.876 -5.640 1.00 1.00 C ATOM 733 C GLU A 48 0.424 10.823 -4.828 1.00 1.00 C ATOM 734 O GLU A 48 0.386 10.883 -3.600 1.00 1.00 O ATOM 735 CB GLU A 48 0.755 13.304 -5.197 1.00 1.00 C ATOM 736 CG GLU A 48 -0.518 13.736 -5.935 1.00 1.00 C ATOM 737 CD GLU A 48 -1.658 12.765 -5.643 1.00 1.00 C ATOM 738 OE1 GLU A 48 -1.757 12.327 -4.510 1.00 1.00 O ATOM 739 OE2 GLU A 48 -2.418 12.478 -6.553 1.00 1.00 O ATOM 0 H GLU A 48 -0.088 11.686 -7.314 1.00 1.00 H new ATOM 0 HA GLU A 48 2.245 11.751 -5.461 1.00 1.00 H new ATOM 0 HB2 GLU A 48 0.583 13.322 -4.121 1.00 1.00 H new ATOM 0 HB3 GLU A 48 1.560 14.009 -5.404 1.00 1.00 H new ATOM 0 HG2 GLU A 48 -0.801 14.742 -5.626 1.00 1.00 H new ATOM 0 HG3 GLU A 48 -0.329 13.773 -7.008 1.00 1.00 H new ATOM 746 N LEU A 49 -0.179 9.860 -5.519 1.00 1.00 N ATOM 747 CA LEU A 49 -0.932 8.784 -4.862 1.00 1.00 C ATOM 748 C LEU A 49 -0.041 7.565 -4.692 1.00 1.00 C ATOM 749 O LEU A 49 0.488 7.021 -5.661 1.00 1.00 O ATOM 750 CB LEU A 49 -2.176 8.423 -5.717 1.00 1.00 C ATOM 751 CG LEU A 49 -3.361 9.351 -5.364 1.00 1.00 C ATOM 752 CD1 LEU A 49 -4.487 9.132 -6.381 1.00 1.00 C ATOM 753 CD2 LEU A 49 -3.870 9.070 -3.910 1.00 1.00 C ATOM 0 H LEU A 49 -0.164 9.799 -6.537 1.00 1.00 H new ATOM 0 HA LEU A 49 -1.262 9.119 -3.879 1.00 1.00 H new ATOM 0 HB2 LEU A 49 -1.936 8.516 -6.776 1.00 1.00 H new ATOM 0 HB3 LEU A 49 -2.455 7.384 -5.543 1.00 1.00 H new ATOM 0 HG LEU A 49 -3.031 10.389 -5.405 1.00 1.00 H new ATOM 0 HD11 LEU A 49 -5.327 9.783 -6.139 1.00 1.00 H new ATOM 0 HD12 LEU A 49 -4.124 9.365 -7.382 1.00 1.00 H new ATOM 0 HD13 LEU A 49 -4.812 8.092 -6.346 1.00 1.00 H new ATOM 0 HD21 LEU A 49 -4.704 9.734 -3.682 1.00 1.00 H new ATOM 0 HD22 LEU A 49 -4.200 8.034 -3.834 1.00 1.00 H new ATOM 0 HD23 LEU A 49 -3.061 9.247 -3.201 1.00 1.00 H new ATOM 765 N PHE A 50 0.130 7.129 -3.447 1.00 1.00 N ATOM 766 CA PHE A 50 0.965 5.972 -3.140 1.00 1.00 C ATOM 767 C PHE A 50 0.451 5.217 -1.925 1.00 1.00 C ATOM 768 O PHE A 50 -0.335 5.717 -1.120 1.00 1.00 O ATOM 769 CB PHE A 50 2.411 6.436 -2.885 1.00 1.00 C ATOM 770 CG PHE A 50 3.040 6.924 -4.181 1.00 1.00 C ATOM 771 CD1 PHE A 50 2.913 8.265 -4.568 1.00 1.00 C ATOM 772 CD2 PHE A 50 3.749 6.029 -4.993 1.00 1.00 C ATOM 773 CE1 PHE A 50 3.495 8.706 -5.764 1.00 1.00 C ATOM 774 CE2 PHE A 50 4.328 6.469 -6.186 1.00 1.00 C ATOM 775 CZ PHE A 50 4.200 7.807 -6.574 1.00 1.00 C ATOM 0 H PHE A 50 -0.301 7.562 -2.631 1.00 1.00 H new ATOM 0 HA PHE A 50 0.932 5.296 -3.994 1.00 1.00 H new ATOM 0 HB2 PHE A 50 2.419 7.236 -2.144 1.00 1.00 H new ATOM 0 HB3 PHE A 50 2.998 5.614 -2.474 1.00 1.00 H new ATOM 0 HD1 PHE A 50 2.367 8.958 -3.945 1.00 1.00 H new ATOM 0 HD2 PHE A 50 3.848 4.995 -4.696 1.00 1.00 H new ATOM 0 HE1 PHE A 50 3.400 9.740 -6.061 1.00 1.00 H new ATOM 0 HE2 PHE A 50 4.874 5.776 -6.809 1.00 1.00 H new ATOM 0 HZ PHE A 50 4.645 8.146 -7.498 1.00 1.00 H new ATOM 785 N ALA A 51 0.940 3.988 -1.795 1.00 1.00 N ATOM 786 CA ALA A 51 0.586 3.111 -0.673 1.00 1.00 C ATOM 787 C ALA A 51 1.801 2.965 0.220 1.00 1.00 C ATOM 788 O ALA A 51 2.910 2.724 -0.257 1.00 1.00 O ATOM 789 CB ALA A 51 0.150 1.740 -1.188 1.00 1.00 C ATOM 0 H ALA A 51 1.591 3.569 -2.459 1.00 1.00 H new ATOM 0 HA ALA A 51 -0.243 3.544 -0.113 1.00 1.00 H new ATOM 0 HB1 ALA A 51 -0.110 1.100 -0.345 1.00 1.00 H new ATOM 0 HB2 ALA A 51 -0.718 1.854 -1.837 1.00 1.00 H new ATOM 0 HB3 ALA A 51 0.966 1.286 -1.750 1.00 1.00 H new ATOM 795 N TYR A 52 1.612 3.113 1.528 1.00 1.00 N ATOM 796 CA TYR A 52 2.733 3.004 2.471 1.00 1.00 C ATOM 797 C TYR A 52 2.313 2.376 3.792 1.00 1.00 C ATOM 798 O TYR A 52 1.167 2.458 4.234 1.00 1.00 O ATOM 799 CB TYR A 52 3.318 4.403 2.721 1.00 1.00 C ATOM 800 CG TYR A 52 2.178 5.362 2.987 1.00 1.00 C ATOM 801 CD1 TYR A 52 1.429 5.854 1.912 1.00 1.00 C ATOM 802 CD2 TYR A 52 1.856 5.746 4.296 1.00 1.00 C ATOM 803 CE1 TYR A 52 0.362 6.726 2.141 1.00 1.00 C ATOM 804 CE2 TYR A 52 0.787 6.616 4.523 1.00 1.00 C ATOM 805 CZ TYR A 52 0.040 7.108 3.447 1.00 1.00 C ATOM 806 OH TYR A 52 -1.016 7.962 3.675 1.00 1.00 O ATOM 0 H TYR A 52 0.708 3.306 1.960 1.00 1.00 H new ATOM 0 HA TYR A 52 3.485 2.351 2.027 1.00 1.00 H new ATOM 0 HB2 TYR A 52 4.000 4.381 3.571 1.00 1.00 H new ATOM 0 HB3 TYR A 52 3.895 4.732 1.857 1.00 1.00 H new ATOM 0 HD1 TYR A 52 1.677 5.559 0.903 1.00 1.00 H new ATOM 0 HD2 TYR A 52 2.433 5.370 5.128 1.00 1.00 H new ATOM 0 HE1 TYR A 52 -0.214 7.105 1.310 1.00 1.00 H new ATOM 0 HE2 TYR A 52 0.536 6.910 5.532 1.00 1.00 H new ATOM 0 HH TYR A 52 -1.104 8.124 4.638 1.00 1.00 H new ATOM 816 N VAL A 53 3.292 1.742 4.430 1.00 1.00 N ATOM 817 CA VAL A 53 3.096 1.085 5.726 1.00 1.00 C ATOM 818 C VAL A 53 3.871 1.850 6.795 1.00 1.00 C ATOM 819 O VAL A 53 5.004 2.281 6.587 1.00 1.00 O ATOM 820 CB VAL A 53 3.591 -0.381 5.663 1.00 1.00 C ATOM 821 CG1 VAL A 53 2.565 -1.242 4.913 1.00 1.00 C ATOM 822 CG2 VAL A 53 4.941 -0.445 4.928 1.00 1.00 C ATOM 0 H VAL A 53 4.243 1.667 4.068 1.00 1.00 H new ATOM 0 HA VAL A 53 2.034 1.082 5.973 1.00 1.00 H new ATOM 0 HB VAL A 53 3.712 -0.759 6.678 1.00 1.00 H new ATOM 0 HG11 VAL A 53 2.917 -2.273 4.871 1.00 1.00 H new ATOM 0 HG12 VAL A 53 1.609 -1.206 5.435 1.00 1.00 H new ATOM 0 HG13 VAL A 53 2.440 -0.859 3.900 1.00 1.00 H new ATOM 0 HG21 VAL A 53 5.284 -1.479 4.887 1.00 1.00 H new ATOM 0 HG22 VAL A 53 4.822 -0.061 3.915 1.00 1.00 H new ATOM 0 HG23 VAL A 53 5.675 0.160 5.461 1.00 1.00 H new ATOM 832 N ASP A 54 3.243 2.011 7.956 1.00 1.00 N ATOM 833 CA ASP A 54 3.883 2.735 9.058 1.00 1.00 C ATOM 834 C ASP A 54 4.711 1.787 9.908 1.00 1.00 C ATOM 835 O ASP A 54 4.241 1.247 10.909 1.00 1.00 O ATOM 836 CB ASP A 54 2.819 3.406 9.928 1.00 1.00 C ATOM 837 CG ASP A 54 3.482 4.247 11.018 1.00 1.00 C ATOM 838 OD1 ASP A 54 4.674 4.493 10.915 1.00 1.00 O ATOM 839 OD2 ASP A 54 2.784 4.640 11.938 1.00 1.00 O ATOM 0 H ASP A 54 2.308 1.658 8.160 1.00 1.00 H new ATOM 0 HA ASP A 54 4.540 3.496 8.636 1.00 1.00 H new ATOM 0 HB2 ASP A 54 2.179 4.037 9.311 1.00 1.00 H new ATOM 0 HB3 ASP A 54 2.179 2.649 10.381 1.00 1.00 H new ATOM 844 N LEU A 55 5.963 1.591 9.502 1.00 1.00 N ATOM 845 CA LEU A 55 6.864 0.702 10.239 1.00 1.00 C ATOM 846 C LEU A 55 7.231 1.326 11.587 1.00 1.00 C ATOM 847 O LEU A 55 7.816 0.660 12.441 1.00 1.00 O ATOM 848 CB LEU A 55 8.150 0.421 9.396 1.00 1.00 C ATOM 849 CG LEU A 55 8.106 -0.983 8.753 1.00 1.00 C ATOM 850 CD1 LEU A 55 7.020 -1.036 7.680 1.00 1.00 C ATOM 851 CD2 LEU A 55 9.455 -1.288 8.110 1.00 1.00 C ATOM 0 H LEU A 55 6.375 2.028 8.678 1.00 1.00 H new ATOM 0 HA LEU A 55 6.357 -0.245 10.422 1.00 1.00 H new ATOM 0 HB2 LEU A 55 8.249 1.177 8.617 1.00 1.00 H new ATOM 0 HB3 LEU A 55 9.030 0.504 10.034 1.00 1.00 H new ATOM 0 HG LEU A 55 7.885 -1.719 9.526 1.00 1.00 H new ATOM 0 HD11 LEU A 55 6.998 -2.030 7.233 1.00 1.00 H new ATOM 0 HD12 LEU A 55 6.052 -0.819 8.131 1.00 1.00 H new ATOM 0 HD13 LEU A 55 7.234 -0.296 6.909 1.00 1.00 H new ATOM 0 HD21 LEU A 55 9.426 -2.278 7.656 1.00 1.00 H new ATOM 0 HD22 LEU A 55 9.669 -0.543 7.343 1.00 1.00 H new ATOM 0 HD23 LEU A 55 10.235 -1.261 8.871 1.00 1.00 H new ATOM 863 N SER A 56 6.882 2.595 11.766 1.00 1.00 N ATOM 864 CA SER A 56 7.167 3.333 13.011 1.00 1.00 C ATOM 865 C SER A 56 8.434 2.822 13.728 1.00 1.00 C ATOM 866 O SER A 56 9.556 3.018 13.262 1.00 1.00 O ATOM 867 CB SER A 56 5.959 3.224 13.944 1.00 1.00 C ATOM 868 OG SER A 56 4.824 3.792 13.310 1.00 1.00 O ATOM 0 H SER A 56 6.395 3.148 11.061 1.00 1.00 H new ATOM 0 HA SER A 56 7.353 4.374 12.745 1.00 1.00 H new ATOM 0 HB2 SER A 56 5.768 2.179 14.190 1.00 1.00 H new ATOM 0 HB3 SER A 56 6.162 3.740 14.882 1.00 1.00 H new ATOM 0 HG SER A 56 5.116 4.391 12.591 1.00 1.00 H new ATOM 874 N GLY A 57 8.243 2.153 14.860 1.00 1.00 N ATOM 875 CA GLY A 57 9.365 1.611 15.621 1.00 1.00 C ATOM 876 C GLY A 57 10.029 0.455 14.872 1.00 1.00 C ATOM 877 O GLY A 57 11.106 0.608 14.294 1.00 1.00 O ATOM 0 H GLY A 57 7.327 1.973 15.270 1.00 1.00 H new ATOM 0 HA2 GLY A 57 10.097 2.397 15.806 1.00 1.00 H new ATOM 0 HA3 GLY A 57 9.016 1.265 16.594 1.00 1.00 H new ATOM 881 N SER A 58 9.382 -0.705 14.897 1.00 1.00 N ATOM 882 CA SER A 58 9.890 -1.933 14.214 1.00 1.00 C ATOM 883 C SER A 58 9.460 -3.211 14.951 1.00 1.00 C ATOM 884 O SER A 58 9.582 -3.319 16.173 1.00 1.00 O ATOM 885 CB SER A 58 11.443 -1.951 14.097 1.00 1.00 C ATOM 886 OG SER A 58 11.997 -1.431 15.296 1.00 1.00 O ATOM 0 H SER A 58 8.495 -0.841 15.382 1.00 1.00 H new ATOM 0 HA SER A 58 9.453 -1.908 13.216 1.00 1.00 H new ATOM 0 HB2 SER A 58 11.797 -2.968 13.927 1.00 1.00 H new ATOM 0 HB3 SER A 58 11.764 -1.355 13.243 1.00 1.00 H new ATOM 0 HG SER A 58 12.142 -0.467 15.198 1.00 1.00 H new ATOM 892 N GLU A 59 8.982 -4.190 14.190 1.00 1.00 N ATOM 893 CA GLU A 59 8.555 -5.492 14.756 1.00 1.00 C ATOM 894 C GLU A 59 9.134 -6.665 13.936 1.00 1.00 C ATOM 895 O GLU A 59 8.414 -7.291 13.158 1.00 1.00 O ATOM 896 CB GLU A 59 7.016 -5.573 14.772 1.00 1.00 C ATOM 897 CG GLU A 59 6.546 -6.766 15.626 1.00 1.00 C ATOM 898 CD GLU A 59 6.842 -6.513 17.105 1.00 1.00 C ATOM 899 OE1 GLU A 59 6.033 -5.869 17.750 1.00 1.00 O ATOM 900 OE2 GLU A 59 7.877 -6.966 17.564 1.00 1.00 O ATOM 0 H GLU A 59 8.875 -4.119 13.178 1.00 1.00 H new ATOM 0 HA GLU A 59 8.934 -5.566 15.775 1.00 1.00 H new ATOM 0 HB2 GLU A 59 6.602 -4.647 15.171 1.00 1.00 H new ATOM 0 HB3 GLU A 59 6.641 -5.677 13.754 1.00 1.00 H new ATOM 0 HG2 GLU A 59 5.477 -6.924 15.484 1.00 1.00 H new ATOM 0 HG3 GLU A 59 7.049 -7.676 15.299 1.00 1.00 H new ATOM 907 N PRO A 60 10.387 -6.986 14.100 1.00 1.00 N ATOM 908 CA PRO A 60 11.050 -8.122 13.364 1.00 1.00 C ATOM 909 C PRO A 60 10.418 -9.483 13.672 1.00 1.00 C ATOM 910 O PRO A 60 9.834 -9.684 14.736 1.00 1.00 O ATOM 911 CB PRO A 60 12.530 -8.074 13.844 1.00 1.00 C ATOM 912 CG PRO A 60 12.710 -6.695 14.410 1.00 1.00 C ATOM 913 CD PRO A 60 11.347 -6.314 15.000 1.00 1.00 C ATOM 0 HA PRO A 60 10.944 -8.010 12.285 1.00 1.00 H new ATOM 0 HB2 PRO A 60 12.726 -8.838 14.596 1.00 1.00 H new ATOM 0 HB3 PRO A 60 13.219 -8.255 13.019 1.00 1.00 H new ATOM 0 HG2 PRO A 60 13.486 -6.683 15.175 1.00 1.00 H new ATOM 0 HG3 PRO A 60 13.014 -5.990 13.636 1.00 1.00 H new ATOM 0 HD2 PRO A 60 11.243 -6.659 16.029 1.00 1.00 H new ATOM 0 HD3 PRO A 60 11.201 -5.234 15.010 1.00 1.00 H new ATOM 921 N GLY A 61 10.537 -10.418 12.736 1.00 1.00 N ATOM 922 CA GLY A 61 9.984 -11.772 12.901 1.00 1.00 C ATOM 923 C GLY A 61 8.643 -11.903 12.193 1.00 1.00 C ATOM 924 O GLY A 61 7.659 -12.352 12.781 1.00 1.00 O ATOM 0 H GLY A 61 11.014 -10.269 11.847 1.00 1.00 H new ATOM 0 HA2 GLY A 61 10.684 -12.506 12.501 1.00 1.00 H new ATOM 0 HA3 GLY A 61 9.863 -11.992 13.962 1.00 1.00 H new ATOM 928 N GLU A 62 8.593 -11.511 10.925 1.00 1.00 N ATOM 929 CA GLU A 62 7.352 -11.576 10.135 1.00 1.00 C ATOM 930 C GLU A 62 6.226 -10.823 10.854 1.00 1.00 C ATOM 931 O GLU A 62 6.085 -10.945 12.070 1.00 1.00 O ATOM 932 CB GLU A 62 6.950 -13.042 9.901 1.00 1.00 C ATOM 933 CG GLU A 62 7.981 -13.718 8.986 1.00 1.00 C ATOM 934 CD GLU A 62 7.670 -15.208 8.842 1.00 1.00 C ATOM 935 OE1 GLU A 62 6.693 -15.654 9.424 1.00 1.00 O ATOM 936 OE2 GLU A 62 8.416 -15.880 8.152 1.00 1.00 O ATOM 0 H GLU A 62 9.395 -11.143 10.414 1.00 1.00 H new ATOM 0 HA GLU A 62 7.525 -11.103 9.169 1.00 1.00 H new ATOM 0 HB2 GLU A 62 6.892 -13.570 10.853 1.00 1.00 H new ATOM 0 HB3 GLU A 62 5.960 -13.090 9.448 1.00 1.00 H new ATOM 0 HG2 GLU A 62 7.974 -13.242 8.005 1.00 1.00 H new ATOM 0 HG3 GLU A 62 8.982 -13.587 9.397 1.00 1.00 H new ATOM 943 N HIS A 63 5.440 -10.048 10.116 1.00 1.00 N ATOM 944 CA HIS A 63 4.364 -9.270 10.739 1.00 1.00 C ATOM 945 C HIS A 63 3.178 -9.057 9.796 1.00 1.00 C ATOM 946 O HIS A 63 3.039 -9.693 8.751 1.00 1.00 O ATOM 947 CB HIS A 63 4.948 -7.904 11.163 1.00 1.00 C ATOM 948 CG HIS A 63 4.092 -7.259 12.225 1.00 1.00 C ATOM 949 ND1 HIS A 63 3.917 -7.832 13.472 1.00 1.00 N ATOM 950 CD2 HIS A 63 3.360 -6.099 12.236 1.00 1.00 C ATOM 951 CE1 HIS A 63 3.110 -7.023 14.181 1.00 1.00 C ATOM 952 NE2 HIS A 63 2.741 -5.951 13.474 1.00 1.00 N ATOM 0 H HIS A 63 5.520 -9.939 9.105 1.00 1.00 H new ATOM 0 HA HIS A 63 3.986 -9.823 11.599 1.00 1.00 H new ATOM 0 HB2 HIS A 63 5.962 -8.039 11.540 1.00 1.00 H new ATOM 0 HB3 HIS A 63 5.015 -7.247 10.296 1.00 1.00 H new ATOM 0 HD2 HIS A 63 3.277 -5.407 11.411 1.00 1.00 H new ATOM 0 HE1 HIS A 63 2.798 -7.216 15.197 1.00 1.00 H new ATOM 0 HE2 HIS A 63 2.136 -5.188 13.777 1.00 1.00 H new ATOM 961 N ASP A 64 2.315 -8.127 10.194 1.00 1.00 N ATOM 962 CA ASP A 64 1.129 -7.777 9.415 1.00 1.00 C ATOM 963 C ASP A 64 0.881 -6.277 9.528 1.00 1.00 C ATOM 964 O ASP A 64 0.297 -5.788 10.493 1.00 1.00 O ATOM 965 CB ASP A 64 -0.078 -8.559 9.945 1.00 1.00 C ATOM 966 CG ASP A 64 0.117 -10.051 9.686 1.00 1.00 C ATOM 967 OD1 ASP A 64 0.696 -10.385 8.665 1.00 1.00 O ATOM 968 OD2 ASP A 64 -0.317 -10.837 10.511 1.00 1.00 O ATOM 0 H ASP A 64 2.416 -7.597 11.060 1.00 1.00 H new ATOM 0 HA ASP A 64 1.281 -8.035 8.367 1.00 1.00 H new ATOM 0 HB2 ASP A 64 -0.199 -8.379 11.013 1.00 1.00 H new ATOM 0 HB3 ASP A 64 -0.990 -8.212 9.458 1.00 1.00 H new ATOM 973 N TYR A 65 1.332 -5.529 8.525 1.00 1.00 N ATOM 974 CA TYR A 65 1.171 -4.063 8.519 1.00 1.00 C ATOM 975 C TYR A 65 -0.009 -3.635 7.647 1.00 1.00 C ATOM 976 O TYR A 65 -0.205 -4.125 6.536 1.00 1.00 O ATOM 977 CB TYR A 65 2.466 -3.400 8.022 1.00 1.00 C ATOM 978 CG TYR A 65 3.562 -3.599 9.059 1.00 1.00 C ATOM 979 CD1 TYR A 65 3.527 -2.854 10.247 1.00 1.00 C ATOM 980 CD2 TYR A 65 4.603 -4.516 8.843 1.00 1.00 C ATOM 981 CE1 TYR A 65 4.524 -3.024 11.213 1.00 1.00 C ATOM 982 CE2 TYR A 65 5.599 -4.684 9.812 1.00 1.00 C ATOM 983 CZ TYR A 65 5.560 -3.937 10.995 1.00 1.00 C ATOM 984 OH TYR A 65 6.544 -4.104 11.948 1.00 1.00 O ATOM 0 H TYR A 65 1.811 -5.904 7.706 1.00 1.00 H new ATOM 0 HA TYR A 65 0.965 -3.739 9.539 1.00 1.00 H new ATOM 0 HB2 TYR A 65 2.768 -3.834 7.069 1.00 1.00 H new ATOM 0 HB3 TYR A 65 2.301 -2.336 7.850 1.00 1.00 H new ATOM 0 HD1 TYR A 65 2.728 -2.147 10.416 1.00 1.00 H new ATOM 0 HD2 TYR A 65 4.635 -5.091 7.930 1.00 1.00 H new ATOM 0 HE1 TYR A 65 4.494 -2.450 12.127 1.00 1.00 H new ATOM 0 HE2 TYR A 65 6.399 -5.391 9.647 1.00 1.00 H new ATOM 0 HH TYR A 65 7.187 -4.776 11.640 1.00 1.00 H new ATOM 994 N GLU A 66 -0.792 -2.704 8.180 1.00 1.00 N ATOM 995 CA GLU A 66 -1.972 -2.189 7.491 1.00 1.00 C ATOM 996 C GLU A 66 -1.582 -1.292 6.314 1.00 1.00 C ATOM 997 O GLU A 66 -0.521 -0.667 6.313 1.00 1.00 O ATOM 998 CB GLU A 66 -2.833 -1.402 8.507 1.00 1.00 C ATOM 999 CG GLU A 66 -4.290 -1.241 8.017 1.00 1.00 C ATOM 1000 CD GLU A 66 -4.372 -0.214 6.891 1.00 1.00 C ATOM 1001 OE1 GLU A 66 -3.712 0.806 6.997 1.00 1.00 O ATOM 1002 OE2 GLU A 66 -5.088 -0.468 5.935 1.00 1.00 O ATOM 0 H GLU A 66 -0.629 -2.286 9.096 1.00 1.00 H new ATOM 0 HA GLU A 66 -2.542 -3.025 7.086 1.00 1.00 H new ATOM 0 HB2 GLU A 66 -2.827 -1.919 9.467 1.00 1.00 H new ATOM 0 HB3 GLU A 66 -2.393 -0.418 8.672 1.00 1.00 H new ATOM 0 HG2 GLU A 66 -4.669 -2.201 7.668 1.00 1.00 H new ATOM 0 HG3 GLU A 66 -4.925 -0.930 8.846 1.00 1.00 H new ATOM 1009 N VAL A 67 -2.459 -1.226 5.318 1.00 1.00 N ATOM 1010 CA VAL A 67 -2.221 -0.398 4.133 1.00 1.00 C ATOM 1011 C VAL A 67 -2.804 0.995 4.341 1.00 1.00 C ATOM 1012 O VAL A 67 -4.013 1.175 4.480 1.00 1.00 O ATOM 1013 CB VAL A 67 -2.884 -1.041 2.909 1.00 1.00 C ATOM 1014 CG1 VAL A 67 -2.541 -0.238 1.645 1.00 1.00 C ATOM 1015 CG2 VAL A 67 -2.378 -2.477 2.762 1.00 1.00 C ATOM 0 H VAL A 67 -3.343 -1.735 5.304 1.00 1.00 H new ATOM 0 HA VAL A 67 -1.146 -0.320 3.971 1.00 1.00 H new ATOM 0 HB VAL A 67 -3.966 -1.045 3.041 1.00 1.00 H new ATOM 0 HG11 VAL A 67 -3.016 -0.701 0.780 1.00 1.00 H new ATOM 0 HG12 VAL A 67 -2.903 0.784 1.754 1.00 1.00 H new ATOM 0 HG13 VAL A 67 -1.460 -0.227 1.503 1.00 1.00 H new ATOM 0 HG21 VAL A 67 -2.846 -2.940 1.893 1.00 1.00 H new ATOM 0 HG22 VAL A 67 -1.296 -2.470 2.631 1.00 1.00 H new ATOM 0 HG23 VAL A 67 -2.631 -3.045 3.657 1.00 1.00 H new ATOM 1025 N LYS A 68 -1.934 2.001 4.360 1.00 1.00 N ATOM 1026 CA LYS A 68 -2.362 3.398 4.547 1.00 1.00 C ATOM 1027 C LYS A 68 -2.191 4.186 3.251 1.00 1.00 C ATOM 1028 O LYS A 68 -1.084 4.534 2.836 1.00 1.00 O ATOM 1029 CB LYS A 68 -1.546 4.042 5.668 1.00 1.00 C ATOM 1030 CG LYS A 68 -2.064 5.464 5.953 1.00 1.00 C ATOM 1031 CD LYS A 68 -1.367 6.051 7.215 1.00 1.00 C ATOM 1032 CE LYS A 68 -2.163 5.697 8.483 1.00 1.00 C ATOM 1033 NZ LYS A 68 -1.411 6.161 9.680 1.00 1.00 N ATOM 0 H LYS A 68 -0.927 1.882 4.249 1.00 1.00 H new ATOM 0 HA LYS A 68 -3.417 3.410 4.821 1.00 1.00 H new ATOM 0 HB2 LYS A 68 -1.612 3.435 6.571 1.00 1.00 H new ATOM 0 HB3 LYS A 68 -0.494 4.080 5.386 1.00 1.00 H new ATOM 0 HG2 LYS A 68 -1.875 6.106 5.093 1.00 1.00 H new ATOM 0 HG3 LYS A 68 -3.143 5.442 6.103 1.00 1.00 H new ATOM 0 HD2 LYS A 68 -0.353 5.659 7.293 1.00 1.00 H new ATOM 0 HD3 LYS A 68 -1.283 7.134 7.121 1.00 1.00 H new ATOM 0 HE2 LYS A 68 -3.146 6.167 8.452 1.00 1.00 H new ATOM 0 HE3 LYS A 68 -2.325 4.620 8.536 1.00 1.00 H new ATOM 0 HZ1 LYS A 68 -1.946 5.923 10.540 1.00 1.00 H new ATOM 0 HZ2 LYS A 68 -0.483 5.693 9.710 1.00 1.00 H new ATOM 0 HZ3 LYS A 68 -1.278 7.191 9.629 1.00 1.00 H new ATOM 1047 N VAL A 69 -3.312 4.475 2.601 1.00 1.00 N ATOM 1048 CA VAL A 69 -3.309 5.220 1.330 1.00 1.00 C ATOM 1049 C VAL A 69 -3.630 6.695 1.553 1.00 1.00 C ATOM 1050 O VAL A 69 -4.507 7.038 2.345 1.00 1.00 O ATOM 1051 CB VAL A 69 -4.338 4.607 0.365 1.00 1.00 C ATOM 1052 CG1 VAL A 69 -4.142 5.183 -1.046 1.00 1.00 C ATOM 1053 CG2 VAL A 69 -4.148 3.087 0.326 1.00 1.00 C ATOM 0 H VAL A 69 -4.241 4.208 2.927 1.00 1.00 H new ATOM 0 HA VAL A 69 -2.311 5.149 0.898 1.00 1.00 H new ATOM 0 HB VAL A 69 -5.344 4.846 0.711 1.00 1.00 H new ATOM 0 HG11 VAL A 69 -4.874 4.744 -1.723 1.00 1.00 H new ATOM 0 HG12 VAL A 69 -4.275 6.265 -1.019 1.00 1.00 H new ATOM 0 HG13 VAL A 69 -3.137 4.950 -1.398 1.00 1.00 H new ATOM 0 HG21 VAL A 69 -4.875 2.647 -0.357 1.00 1.00 H new ATOM 0 HG22 VAL A 69 -3.140 2.855 -0.018 1.00 1.00 H new ATOM 0 HG23 VAL A 69 -4.294 2.676 1.325 1.00 1.00 H new ATOM 1063 N GLU A 70 -2.923 7.562 0.835 1.00 1.00 N ATOM 1064 CA GLU A 70 -3.131 9.000 0.956 1.00 1.00 C ATOM 1065 C GLU A 70 -4.518 9.399 0.390 1.00 1.00 C ATOM 1066 O GLU A 70 -4.749 9.202 -0.803 1.00 1.00 O ATOM 1067 CB GLU A 70 -2.023 9.739 0.194 1.00 1.00 C ATOM 1068 CG GLU A 70 -2.167 11.257 0.394 1.00 1.00 C ATOM 1069 CD GLU A 70 -0.939 11.978 -0.160 1.00 1.00 C ATOM 1070 OE1 GLU A 70 -0.890 12.190 -1.360 1.00 1.00 O ATOM 1071 OE2 GLU A 70 -0.066 12.305 0.628 1.00 1.00 O ATOM 0 H GLU A 70 -2.202 7.294 0.165 1.00 1.00 H new ATOM 0 HA GLU A 70 -3.098 9.276 2.010 1.00 1.00 H new ATOM 0 HB2 GLU A 70 -1.046 9.409 0.547 1.00 1.00 H new ATOM 0 HB3 GLU A 70 -2.077 9.497 -0.867 1.00 1.00 H new ATOM 0 HG2 GLU A 70 -3.066 11.614 -0.109 1.00 1.00 H new ATOM 0 HG3 GLU A 70 -2.284 11.483 1.454 1.00 1.00 H new ATOM 1078 N PRO A 71 -5.416 9.934 1.172 1.00 1.00 N ATOM 1079 CA PRO A 71 -6.771 10.328 0.663 1.00 1.00 C ATOM 1080 C PRO A 71 -6.748 11.643 -0.123 1.00 1.00 C ATOM 1081 O PRO A 71 -6.049 12.591 0.234 1.00 1.00 O ATOM 1082 CB PRO A 71 -7.611 10.451 1.957 1.00 1.00 C ATOM 1083 CG PRO A 71 -6.623 10.890 3.002 1.00 1.00 C ATOM 1084 CD PRO A 71 -5.281 10.239 2.617 1.00 1.00 C ATOM 0 HA PRO A 71 -7.173 9.605 -0.047 1.00 1.00 H new ATOM 0 HB2 PRO A 71 -8.416 11.177 1.841 1.00 1.00 H new ATOM 0 HB3 PRO A 71 -8.074 9.501 2.222 1.00 1.00 H new ATOM 0 HG2 PRO A 71 -6.537 11.976 3.026 1.00 1.00 H new ATOM 0 HG3 PRO A 71 -6.939 10.573 3.996 1.00 1.00 H new ATOM 0 HD2 PRO A 71 -4.445 10.913 2.804 1.00 1.00 H new ATOM 0 HD3 PRO A 71 -5.097 9.335 3.198 1.00 1.00 H new ATOM 1092 N ILE A 72 -7.529 11.701 -1.197 1.00 1.00 N ATOM 1093 CA ILE A 72 -7.607 12.920 -2.039 1.00 1.00 C ATOM 1094 C ILE A 72 -9.006 13.572 -1.945 1.00 1.00 C ATOM 1095 O ILE A 72 -9.995 12.940 -2.315 1.00 1.00 O ATOM 1096 CB ILE A 72 -7.276 12.586 -3.505 1.00 1.00 C ATOM 1097 CG1 ILE A 72 -5.886 11.915 -3.576 1.00 1.00 C ATOM 1098 CG2 ILE A 72 -7.282 13.870 -4.359 1.00 1.00 C ATOM 1099 CD1 ILE A 72 -4.778 12.780 -2.929 1.00 1.00 C ATOM 0 H ILE A 72 -8.118 10.931 -1.515 1.00 1.00 H new ATOM 0 HA ILE A 72 -6.871 13.632 -1.665 1.00 1.00 H new ATOM 0 HB ILE A 72 -8.031 11.904 -3.896 1.00 1.00 H new ATOM 0 HG12 ILE A 72 -5.927 10.948 -3.075 1.00 1.00 H new ATOM 0 HG13 ILE A 72 -5.631 11.724 -4.618 1.00 1.00 H new ATOM 0 HG21 ILE A 72 -7.046 13.620 -5.393 1.00 1.00 H new ATOM 0 HG22 ILE A 72 -8.268 14.333 -4.313 1.00 1.00 H new ATOM 0 HG23 ILE A 72 -6.536 14.566 -3.975 1.00 1.00 H new ATOM 0 HD11 ILE A 72 -3.821 12.263 -3.006 1.00 1.00 H new ATOM 0 HD12 ILE A 72 -4.715 13.737 -3.446 1.00 1.00 H new ATOM 0 HD13 ILE A 72 -5.016 12.950 -1.879 1.00 1.00 H new ATOM 1111 N PRO A 73 -9.114 14.789 -1.491 1.00 1.00 N ATOM 1112 CA PRO A 73 -10.441 15.481 -1.377 1.00 1.00 C ATOM 1113 C PRO A 73 -11.002 15.901 -2.734 1.00 1.00 C ATOM 1114 O PRO A 73 -10.765 17.014 -3.204 1.00 1.00 O ATOM 1115 CB PRO A 73 -10.142 16.710 -0.485 1.00 1.00 C ATOM 1116 CG PRO A 73 -8.689 17.014 -0.717 1.00 1.00 C ATOM 1117 CD PRO A 73 -8.014 15.671 -1.023 1.00 1.00 C ATOM 0 HA PRO A 73 -11.206 14.826 -0.959 1.00 1.00 H new ATOM 0 HB2 PRO A 73 -10.771 17.558 -0.757 1.00 1.00 H new ATOM 0 HB3 PRO A 73 -10.337 16.492 0.565 1.00 1.00 H new ATOM 0 HG2 PRO A 73 -8.565 17.710 -1.547 1.00 1.00 H new ATOM 0 HG3 PRO A 73 -8.244 17.482 0.161 1.00 1.00 H new ATOM 0 HD2 PRO A 73 -7.244 15.781 -1.786 1.00 1.00 H new ATOM 0 HD3 PRO A 73 -7.529 15.262 -0.137 1.00 1.00 H new ATOM 1125 N ASN A 74 -11.760 15.013 -3.369 1.00 1.00 N ATOM 1126 CA ASN A 74 -12.378 15.286 -4.677 1.00 1.00 C ATOM 1127 C ASN A 74 -12.896 13.991 -5.308 1.00 1.00 C ATOM 1128 O ASN A 74 -13.734 14.028 -6.208 1.00 1.00 O ATOM 1129 CB ASN A 74 -11.373 15.970 -5.651 1.00 1.00 C ATOM 1130 CG ASN A 74 -11.890 15.940 -7.092 1.00 1.00 C ATOM 1131 OD1 ASN A 74 -11.265 15.342 -7.965 1.00 1.00 O ATOM 1132 ND2 ASN A 74 -13.005 16.549 -7.380 1.00 1.00 N ATOM 0 H ASN A 74 -11.967 14.085 -2.999 1.00 1.00 H new ATOM 0 HA ASN A 74 -13.212 15.966 -4.506 1.00 1.00 H new ATOM 0 HB2 ASN A 74 -11.209 17.002 -5.342 1.00 1.00 H new ATOM 0 HB3 ASN A 74 -10.409 15.464 -5.597 1.00 1.00 H new ATOM 0 HD21 ASN A 74 -13.364 16.531 -8.335 1.00 1.00 H new ATOM 0 HD22 ASN A 74 -13.519 17.044 -6.651 1.00 1.00 H new ATOM 1139 N ILE A 75 -12.393 12.844 -4.863 1.00 1.00 N ATOM 1140 CA ILE A 75 -12.810 11.539 -5.412 1.00 1.00 C ATOM 1141 C ILE A 75 -13.069 10.551 -4.283 1.00 1.00 C ATOM 1142 O ILE A 75 -12.553 10.683 -3.173 1.00 1.00 O ATOM 1143 CB ILE A 75 -11.726 10.986 -6.381 1.00 1.00 C ATOM 1144 CG1 ILE A 75 -11.595 11.896 -7.645 1.00 1.00 C ATOM 1145 CG2 ILE A 75 -12.069 9.535 -6.813 1.00 1.00 C ATOM 1146 CD1 ILE A 75 -12.714 11.627 -8.677 1.00 1.00 C ATOM 0 H ILE A 75 -11.694 12.782 -4.123 1.00 1.00 H new ATOM 0 HA ILE A 75 -13.735 11.676 -5.973 1.00 1.00 H new ATOM 0 HB ILE A 75 -10.774 10.983 -5.851 1.00 1.00 H new ATOM 0 HG12 ILE A 75 -11.627 12.943 -7.342 1.00 1.00 H new ATOM 0 HG13 ILE A 75 -10.624 11.729 -8.112 1.00 1.00 H new ATOM 0 HG21 ILE A 75 -11.299 9.166 -7.491 1.00 1.00 H new ATOM 0 HG22 ILE A 75 -12.115 8.894 -5.932 1.00 1.00 H new ATOM 0 HG23 ILE A 75 -13.034 9.525 -7.320 1.00 1.00 H new ATOM 0 HD11 ILE A 75 -12.581 12.283 -9.537 1.00 1.00 H new ATOM 0 HD12 ILE A 75 -12.667 10.588 -9.002 1.00 1.00 H new ATOM 0 HD13 ILE A 75 -13.685 11.821 -8.220 1.00 1.00 H new ATOM 1158 N LYS A 76 -13.891 9.549 -4.574 1.00 1.00 N ATOM 1159 CA LYS A 76 -14.257 8.523 -3.600 1.00 1.00 C ATOM 1160 C LYS A 76 -13.463 7.239 -3.826 1.00 1.00 C ATOM 1161 O LYS A 76 -13.151 6.838 -4.946 1.00 1.00 O ATOM 1162 CB LYS A 76 -15.751 8.220 -3.724 1.00 1.00 C ATOM 1163 CG LYS A 76 -16.566 9.466 -3.362 1.00 1.00 C ATOM 1164 CD LYS A 76 -18.058 9.152 -3.503 1.00 1.00 C ATOM 1165 CE LYS A 76 -18.882 10.393 -3.145 1.00 1.00 C ATOM 1166 NZ LYS A 76 -20.333 10.101 -3.333 1.00 1.00 N ATOM 0 H LYS A 76 -14.323 9.424 -5.490 1.00 1.00 H new ATOM 0 HA LYS A 76 -14.027 8.898 -2.603 1.00 1.00 H new ATOM 0 HB2 LYS A 76 -15.984 7.905 -4.741 1.00 1.00 H new ATOM 0 HB3 LYS A 76 -16.020 7.394 -3.065 1.00 1.00 H new ATOM 0 HG2 LYS A 76 -16.343 9.777 -2.341 1.00 1.00 H new ATOM 0 HG3 LYS A 76 -16.294 10.295 -4.015 1.00 1.00 H new ATOM 0 HD2 LYS A 76 -18.279 8.839 -4.523 1.00 1.00 H new ATOM 0 HD3 LYS A 76 -18.329 8.323 -2.849 1.00 1.00 H new ATOM 0 HE2 LYS A 76 -18.690 10.684 -2.112 1.00 1.00 H new ATOM 0 HE3 LYS A 76 -18.585 11.233 -3.773 1.00 1.00 H new ATOM 0 HZ1 LYS A 76 -20.891 10.944 -3.090 1.00 1.00 H new ATOM 0 HZ2 LYS A 76 -20.510 9.843 -4.325 1.00 1.00 H new ATOM 0 HZ3 LYS A 76 -20.611 9.312 -2.716 1.00 1.00 H new ATOM 1180 N ILE A 77 -13.131 6.576 -2.721 1.00 1.00 N ATOM 1181 CA ILE A 77 -12.370 5.313 -2.767 1.00 1.00 C ATOM 1182 C ILE A 77 -13.274 4.141 -2.397 1.00 1.00 C ATOM 1183 O ILE A 77 -13.747 4.038 -1.266 1.00 1.00 O ATOM 1184 CB ILE A 77 -11.185 5.398 -1.787 1.00 1.00 C ATOM 1185 CG1 ILE A 77 -10.330 4.118 -1.897 1.00 1.00 C ATOM 1186 CG2 ILE A 77 -11.686 5.581 -0.329 1.00 1.00 C ATOM 1187 CD1 ILE A 77 -9.043 4.289 -1.088 1.00 1.00 C ATOM 0 H ILE A 77 -13.373 6.885 -1.780 1.00 1.00 H new ATOM 0 HA ILE A 77 -11.994 5.154 -3.778 1.00 1.00 H new ATOM 0 HB ILE A 77 -10.577 6.264 -2.049 1.00 1.00 H new ATOM 0 HG12 ILE A 77 -10.892 3.260 -1.528 1.00 1.00 H new ATOM 0 HG13 ILE A 77 -10.091 3.917 -2.941 1.00 1.00 H new ATOM 0 HG21 ILE A 77 -10.831 5.638 0.345 1.00 1.00 H new ATOM 0 HG22 ILE A 77 -12.267 6.500 -0.257 1.00 1.00 H new ATOM 0 HG23 ILE A 77 -12.312 4.733 -0.050 1.00 1.00 H new ATOM 0 HD11 ILE A 77 -8.441 3.384 -1.167 1.00 1.00 H new ATOM 0 HD12 ILE A 77 -8.478 5.136 -1.478 1.00 1.00 H new ATOM 0 HD13 ILE A 77 -9.292 4.469 -0.042 1.00 1.00 H new ATOM 1199 N VAL A 78 -13.513 3.243 -3.348 1.00 1.00 N ATOM 1200 CA VAL A 78 -14.356 2.080 -3.116 1.00 1.00 C ATOM 1201 C VAL A 78 -13.707 1.148 -2.106 1.00 1.00 C ATOM 1202 O VAL A 78 -14.384 0.595 -1.239 1.00 1.00 O ATOM 1203 CB VAL A 78 -14.620 1.347 -4.440 1.00 1.00 C ATOM 1204 CG1 VAL A 78 -15.485 0.098 -4.201 1.00 1.00 C ATOM 1205 CG2 VAL A 78 -15.349 2.299 -5.393 1.00 1.00 C ATOM 0 H VAL A 78 -13.131 3.302 -4.292 1.00 1.00 H new ATOM 0 HA VAL A 78 -15.310 2.413 -2.708 1.00 1.00 H new ATOM 0 HB VAL A 78 -13.670 1.033 -4.873 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -15.662 -0.409 -5.150 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -14.968 -0.578 -3.520 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -16.439 0.394 -3.764 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -15.543 1.791 -6.338 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -16.294 2.607 -4.947 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -14.730 3.177 -5.574 1.00 1.00 H new ATOM 1215 N GLU A 79 -12.397 0.949 -2.200 1.00 1.00 N ATOM 1216 CA GLU A 79 -11.693 0.065 -1.277 1.00 1.00 C ATOM 1217 C GLU A 79 -10.196 0.027 -1.603 1.00 1.00 C ATOM 1218 O GLU A 79 -9.697 0.737 -2.476 1.00 1.00 O ATOM 1219 CB GLU A 79 -12.298 -1.381 -1.328 1.00 1.00 C ATOM 1220 CG GLU A 79 -12.839 -1.789 0.050 1.00 1.00 C ATOM 1221 CD GLU A 79 -13.434 -3.187 -0.021 1.00 1.00 C ATOM 1222 OE1 GLU A 79 -12.966 -3.967 -0.833 1.00 1.00 O ATOM 1223 OE2 GLU A 79 -14.345 -3.459 0.741 1.00 1.00 O ATOM 0 H GLU A 79 -11.802 1.386 -2.904 1.00 1.00 H new ATOM 0 HA GLU A 79 -11.818 0.457 -0.268 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -13.100 -1.420 -2.066 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -11.535 -2.089 -1.649 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -12.037 -1.763 0.788 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -13.597 -1.078 0.378 1.00 1.00 H new ATOM 1230 N ILE A 80 -9.477 -0.823 -0.877 1.00 1.00 N ATOM 1231 CA ILE A 80 -8.028 -0.985 -1.060 1.00 1.00 C ATOM 1232 C ILE A 80 -7.737 -2.325 -1.737 1.00 1.00 C ATOM 1233 O ILE A 80 -7.408 -2.383 -2.923 1.00 1.00 O ATOM 1234 CB ILE A 80 -7.314 -0.918 0.307 1.00 1.00 C ATOM 1235 CG1 ILE A 80 -7.785 0.330 1.076 1.00 1.00 C ATOM 1236 CG2 ILE A 80 -5.791 -0.831 0.095 1.00 1.00 C ATOM 1237 CD1 ILE A 80 -7.168 0.349 2.479 1.00 1.00 C ATOM 0 H ILE A 80 -9.873 -1.418 -0.149 1.00 1.00 H new ATOM 0 HA ILE A 80 -7.656 -0.179 -1.693 1.00 1.00 H new ATOM 0 HB ILE A 80 -7.554 -1.815 0.878 1.00 1.00 H new ATOM 0 HG12 ILE A 80 -7.499 1.231 0.533 1.00 1.00 H new ATOM 0 HG13 ILE A 80 -8.873 0.333 1.149 1.00 1.00 H new ATOM 0 HG21 ILE A 80 -5.291 -0.784 1.062 1.00 1.00 H new ATOM 0 HG22 ILE A 80 -5.448 -1.712 -0.448 1.00 1.00 H new ATOM 0 HG23 ILE A 80 -5.554 0.064 -0.480 1.00 1.00 H new ATOM 0 HD11 ILE A 80 -7.508 1.236 3.014 1.00 1.00 H new ATOM 0 HD12 ILE A 80 -7.476 -0.544 3.024 1.00 1.00 H new ATOM 0 HD13 ILE A 80 -6.081 0.368 2.398 1.00 1.00 H new ATOM 1249 N SER A 81 -7.842 -3.416 -0.986 1.00 1.00 N ATOM 1250 CA SER A 81 -7.596 -4.757 -1.505 1.00 1.00 C ATOM 1251 C SER A 81 -6.215 -4.865 -2.186 1.00 1.00 C ATOM 1252 O SER A 81 -6.088 -4.405 -3.321 1.00 1.00 O ATOM 1253 CB SER A 81 -8.684 -5.137 -2.507 1.00 1.00 C ATOM 1254 OG SER A 81 -9.949 -5.019 -1.874 1.00 1.00 O ATOM 0 H SER A 81 -8.100 -3.396 0.001 1.00 1.00 H new ATOM 0 HA SER A 81 -7.612 -5.443 -0.658 1.00 1.00 H new ATOM 0 HB2 SER A 81 -8.637 -4.487 -3.380 1.00 1.00 H new ATOM 0 HB3 SER A 81 -8.532 -6.157 -2.860 1.00 1.00 H new ATOM 0 HG SER A 81 -10.656 -5.259 -2.509 1.00 1.00 H new ATOM 1260 N PRO A 82 -5.213 -5.416 -1.558 1.00 1.00 N ATOM 1261 CA PRO A 82 -5.262 -6.003 -0.173 1.00 1.00 C ATOM 1262 C PRO A 82 -5.507 -4.928 0.893 1.00 1.00 C ATOM 1263 O PRO A 82 -5.489 -3.728 0.623 1.00 1.00 O ATOM 1264 CB PRO A 82 -3.875 -6.690 0.011 1.00 1.00 C ATOM 1265 CG PRO A 82 -3.275 -6.745 -1.368 1.00 1.00 C ATOM 1266 CD PRO A 82 -3.855 -5.543 -2.120 1.00 1.00 C ATOM 0 HA PRO A 82 -6.087 -6.706 -0.057 1.00 1.00 H new ATOM 0 HB2 PRO A 82 -3.242 -6.123 0.693 1.00 1.00 H new ATOM 0 HB3 PRO A 82 -3.983 -7.689 0.433 1.00 1.00 H new ATOM 0 HG2 PRO A 82 -2.187 -6.692 -1.324 1.00 1.00 H new ATOM 0 HG3 PRO A 82 -3.529 -7.680 -1.868 1.00 1.00 H new ATOM 0 HD2 PRO A 82 -3.265 -4.642 -1.954 1.00 1.00 H new ATOM 0 HD3 PRO A 82 -3.879 -5.715 -3.196 1.00 1.00 H new ATOM 1274 N ARG A 83 -5.723 -5.368 2.128 1.00 1.00 N ATOM 1275 CA ARG A 83 -5.961 -4.444 3.257 1.00 1.00 C ATOM 1276 C ARG A 83 -4.884 -4.653 4.305 1.00 1.00 C ATOM 1277 O ARG A 83 -4.719 -3.857 5.231 1.00 1.00 O ATOM 1278 CB ARG A 83 -7.341 -4.715 3.872 1.00 1.00 C ATOM 1279 CG ARG A 83 -8.415 -4.611 2.784 1.00 1.00 C ATOM 1280 CD ARG A 83 -9.791 -4.943 3.369 1.00 1.00 C ATOM 1281 NE ARG A 83 -10.772 -5.018 2.293 1.00 1.00 N ATOM 1282 CZ ARG A 83 -12.048 -5.322 2.526 1.00 1.00 C ATOM 1283 NH1 ARG A 83 -12.461 -5.565 3.741 1.00 1.00 N ATOM 1284 NH2 ARG A 83 -12.890 -5.379 1.531 1.00 1.00 N ATOM 0 H ARG A 83 -5.740 -6.355 2.384 1.00 1.00 H new ATOM 0 HA ARG A 83 -5.930 -3.415 2.898 1.00 1.00 H new ATOM 0 HB2 ARG A 83 -7.361 -5.707 4.324 1.00 1.00 H new ATOM 0 HB3 ARG A 83 -7.544 -3.998 4.668 1.00 1.00 H new ATOM 0 HG2 ARG A 83 -8.423 -3.605 2.365 1.00 1.00 H new ATOM 0 HG3 ARG A 83 -8.184 -5.295 1.967 1.00 1.00 H new ATOM 0 HD2 ARG A 83 -9.751 -5.891 3.905 1.00 1.00 H new ATOM 0 HD3 ARG A 83 -10.085 -4.181 4.091 1.00 1.00 H new ATOM 0 HE ARG A 83 -10.473 -4.833 1.336 1.00 1.00 H new ATOM 0 HH11 ARG A 83 -11.805 -5.523 4.521 1.00 1.00 H new ATOM 0 HH12 ARG A 83 -13.440 -5.797 3.910 1.00 1.00 H new ATOM 0 HH21 ARG A 83 -12.570 -5.191 0.581 1.00 1.00 H new ATOM 0 HH22 ARG A 83 -13.868 -5.611 1.703 1.00 1.00 H new ATOM 1298 N VAL A 84 -4.138 -5.743 4.166 1.00 1.00 N ATOM 1299 CA VAL A 84 -3.054 -6.093 5.088 1.00 1.00 C ATOM 1300 C VAL A 84 -1.936 -6.779 4.306 1.00 1.00 C ATOM 1301 O VAL A 84 -2.187 -7.561 3.388 1.00 1.00 O ATOM 1302 CB VAL A 84 -3.579 -7.035 6.183 1.00 1.00 C ATOM 1303 CG1 VAL A 84 -2.469 -7.308 7.206 1.00 1.00 C ATOM 1304 CG2 VAL A 84 -4.785 -6.391 6.890 1.00 1.00 C ATOM 0 H VAL A 84 -4.265 -6.414 3.409 1.00 1.00 H new ATOM 0 HA VAL A 84 -2.670 -5.188 5.559 1.00 1.00 H new ATOM 0 HB VAL A 84 -3.889 -7.975 5.727 1.00 1.00 H new ATOM 0 HG11 VAL A 84 -2.845 -7.976 7.981 1.00 1.00 H new ATOM 0 HG12 VAL A 84 -1.620 -7.774 6.706 1.00 1.00 H new ATOM 0 HG13 VAL A 84 -2.153 -6.368 7.659 1.00 1.00 H new ATOM 0 HG21 VAL A 84 -5.154 -7.063 7.665 1.00 1.00 H new ATOM 0 HG22 VAL A 84 -4.480 -5.447 7.342 1.00 1.00 H new ATOM 0 HG23 VAL A 84 -5.577 -6.206 6.164 1.00 1.00 H new ATOM 1314 N VAL A 85 -0.690 -6.488 4.667 1.00 1.00 N ATOM 1315 CA VAL A 85 0.473 -7.086 3.975 1.00 1.00 C ATOM 1316 C VAL A 85 1.532 -7.567 4.965 1.00 1.00 C ATOM 1317 O VAL A 85 1.825 -6.910 5.965 1.00 1.00 O ATOM 1318 CB VAL A 85 1.090 -6.061 3.012 1.00 1.00 C ATOM 1319 CG1 VAL A 85 0.067 -5.705 1.930 1.00 1.00 C ATOM 1320 CG2 VAL A 85 1.479 -4.793 3.776 1.00 1.00 C ATOM 0 H VAL A 85 -0.449 -5.850 5.425 1.00 1.00 H new ATOM 0 HA VAL A 85 0.119 -7.952 3.416 1.00 1.00 H new ATOM 0 HB VAL A 85 1.981 -6.491 2.554 1.00 1.00 H new ATOM 0 HG11 VAL A 85 0.501 -4.977 1.244 1.00 1.00 H new ATOM 0 HG12 VAL A 85 -0.208 -6.604 1.379 1.00 1.00 H new ATOM 0 HG13 VAL A 85 -0.822 -5.279 2.396 1.00 1.00 H new ATOM 0 HG21 VAL A 85 1.916 -4.072 3.085 1.00 1.00 H new ATOM 0 HG22 VAL A 85 0.592 -4.361 4.239 1.00 1.00 H new ATOM 0 HG23 VAL A 85 2.207 -5.042 4.548 1.00 1.00 H new ATOM 1330 N THR A 86 2.110 -8.723 4.663 1.00 1.00 N ATOM 1331 CA THR A 86 3.150 -9.330 5.504 1.00 1.00 C ATOM 1332 C THR A 86 4.533 -9.124 4.888 1.00 1.00 C ATOM 1333 O THR A 86 4.807 -9.568 3.774 1.00 1.00 O ATOM 1334 CB THR A 86 2.873 -10.835 5.661 1.00 1.00 C ATOM 1335 OG1 THR A 86 3.804 -11.383 6.586 1.00 1.00 O ATOM 1336 CG2 THR A 86 3.011 -11.571 4.308 1.00 1.00 C ATOM 0 H THR A 86 1.877 -9.269 3.834 1.00 1.00 H new ATOM 0 HA THR A 86 3.131 -8.849 6.482 1.00 1.00 H new ATOM 0 HB THR A 86 1.853 -10.964 6.022 1.00 1.00 H new ATOM 0 HG1 THR A 86 3.705 -10.937 7.453 1.00 1.00 H new ATOM 0 HG21 THR A 86 2.810 -12.633 4.449 1.00 1.00 H new ATOM 0 HG22 THR A 86 2.298 -11.158 3.595 1.00 1.00 H new ATOM 0 HG23 THR A 86 4.023 -11.441 3.925 1.00 1.00 H new ATOM 1344 N LEU A 87 5.407 -8.448 5.628 1.00 1.00 N ATOM 1345 CA LEU A 87 6.777 -8.181 5.166 1.00 1.00 C ATOM 1346 C LEU A 87 7.770 -9.020 5.957 1.00 1.00 C ATOM 1347 O LEU A 87 7.400 -9.817 6.819 1.00 1.00 O ATOM 1348 CB LEU A 87 7.107 -6.692 5.341 1.00 1.00 C ATOM 1349 CG LEU A 87 6.032 -5.823 4.663 1.00 1.00 C ATOM 1350 CD1 LEU A 87 6.354 -4.345 4.916 1.00 1.00 C ATOM 1351 CD2 LEU A 87 5.988 -6.088 3.138 1.00 1.00 C ATOM 0 H LEU A 87 5.196 -8.072 6.552 1.00 1.00 H new ATOM 0 HA LEU A 87 6.849 -8.445 4.111 1.00 1.00 H new ATOM 0 HB2 LEU A 87 7.166 -6.448 6.402 1.00 1.00 H new ATOM 0 HB3 LEU A 87 8.084 -6.476 4.909 1.00 1.00 H new ATOM 0 HG LEU A 87 5.058 -6.075 5.083 1.00 1.00 H new ATOM 0 HD11 LEU A 87 5.598 -3.721 4.439 1.00 1.00 H new ATOM 0 HD12 LEU A 87 6.360 -4.152 5.989 1.00 1.00 H new ATOM 0 HD13 LEU A 87 7.334 -4.110 4.500 1.00 1.00 H new ATOM 0 HD21 LEU A 87 5.221 -5.462 2.682 1.00 1.00 H new ATOM 0 HD22 LEU A 87 6.957 -5.851 2.699 1.00 1.00 H new ATOM 0 HD23 LEU A 87 5.755 -7.137 2.958 1.00 1.00 H new ATOM 1363 N GLN A 88 9.049 -8.833 5.649 1.00 1.00 N ATOM 1364 CA GLN A 88 10.116 -9.584 6.329 1.00 1.00 C ATOM 1365 C GLN A 88 11.306 -8.677 6.619 1.00 1.00 C ATOM 1366 O GLN A 88 12.021 -8.240 5.717 1.00 1.00 O ATOM 1367 CB GLN A 88 10.564 -10.760 5.459 1.00 1.00 C ATOM 1368 CG GLN A 88 9.383 -11.714 5.245 1.00 1.00 C ATOM 1369 CD GLN A 88 9.832 -12.945 4.467 1.00 1.00 C ATOM 1370 OE1 GLN A 88 10.864 -13.535 4.780 1.00 1.00 O ATOM 1371 NE2 GLN A 88 9.107 -13.374 3.468 1.00 1.00 N ATOM 0 H GLN A 88 9.377 -8.176 4.941 1.00 1.00 H new ATOM 0 HA GLN A 88 9.725 -9.962 7.273 1.00 1.00 H new ATOM 0 HB2 GLN A 88 10.931 -10.397 4.499 1.00 1.00 H new ATOM 0 HB3 GLN A 88 11.389 -11.287 5.938 1.00 1.00 H new ATOM 0 HG2 GLN A 88 8.970 -12.015 6.208 1.00 1.00 H new ATOM 0 HG3 GLN A 88 8.587 -11.203 4.703 1.00 1.00 H new ATOM 0 HE21 GLN A 88 8.251 -12.882 3.211 1.00 1.00 H new ATOM 0 HE22 GLN A 88 9.397 -14.201 2.945 1.00 1.00 H new ATOM 1380 N LEU A 89 11.512 -8.396 7.902 1.00 1.00 N ATOM 1381 CA LEU A 89 12.618 -7.537 8.344 1.00 1.00 C ATOM 1382 C LEU A 89 13.716 -8.379 8.962 1.00 1.00 C ATOM 1383 O LEU A 89 13.460 -9.332 9.696 1.00 1.00 O ATOM 1384 CB LEU A 89 12.114 -6.522 9.378 1.00 1.00 C ATOM 1385 CG LEU A 89 10.909 -5.743 8.830 1.00 1.00 C ATOM 1386 CD1 LEU A 89 10.487 -4.690 9.858 1.00 1.00 C ATOM 1387 CD2 LEU A 89 11.256 -5.059 7.500 1.00 1.00 C ATOM 0 H LEU A 89 10.928 -8.749 8.660 1.00 1.00 H new ATOM 0 HA LEU A 89 13.014 -7.006 7.478 1.00 1.00 H new ATOM 0 HB2 LEU A 89 11.833 -7.039 10.295 1.00 1.00 H new ATOM 0 HB3 LEU A 89 12.915 -5.829 9.635 1.00 1.00 H new ATOM 0 HG LEU A 89 10.091 -6.440 8.650 1.00 1.00 H new ATOM 0 HD11 LEU A 89 9.632 -4.132 9.477 1.00 1.00 H new ATOM 0 HD12 LEU A 89 10.213 -5.182 10.791 1.00 1.00 H new ATOM 0 HD13 LEU A 89 11.316 -4.005 10.039 1.00 1.00 H new ATOM 0 HD21 LEU A 89 10.386 -4.514 7.133 1.00 1.00 H new ATOM 0 HD22 LEU A 89 12.082 -4.364 7.653 1.00 1.00 H new ATOM 0 HD23 LEU A 89 11.547 -5.813 6.768 1.00 1.00 H new ATOM 1399 N GLU A 90 14.961 -8.024 8.656 1.00 1.00 N ATOM 1400 CA GLU A 90 16.110 -8.765 9.193 1.00 1.00 C ATOM 1401 C GLU A 90 17.289 -7.833 9.465 1.00 1.00 C ATOM 1402 O GLU A 90 17.537 -6.873 8.736 1.00 1.00 O ATOM 1403 CB GLU A 90 16.527 -9.865 8.206 1.00 1.00 C ATOM 1404 CG GLU A 90 17.639 -10.729 8.821 1.00 1.00 C ATOM 1405 CD GLU A 90 17.974 -11.902 7.903 1.00 1.00 C ATOM 1406 OE1 GLU A 90 17.529 -11.892 6.766 1.00 1.00 O ATOM 1407 OE2 GLU A 90 18.675 -12.794 8.353 1.00 1.00 O ATOM 0 H GLU A 90 15.203 -7.241 8.049 1.00 1.00 H new ATOM 0 HA GLU A 90 15.812 -9.219 10.138 1.00 1.00 H new ATOM 0 HB2 GLU A 90 15.667 -10.487 7.958 1.00 1.00 H new ATOM 0 HB3 GLU A 90 16.876 -9.417 7.276 1.00 1.00 H new ATOM 0 HG2 GLU A 90 18.530 -10.123 8.986 1.00 1.00 H new ATOM 0 HG3 GLU A 90 17.322 -11.101 9.795 1.00 1.00 H new ATOM 1414 N HIS A 91 18.020 -8.134 10.534 1.00 1.00 N ATOM 1415 CA HIS A 91 19.178 -7.333 10.920 1.00 1.00 C ATOM 1416 C HIS A 91 20.295 -7.461 9.883 1.00 1.00 C ATOM 1417 O HIS A 91 20.579 -8.553 9.388 1.00 1.00 O ATOM 1418 CB HIS A 91 19.682 -7.797 12.295 1.00 1.00 C ATOM 1419 CG HIS A 91 19.834 -9.295 12.295 1.00 1.00 C ATOM 1420 ND1 HIS A 91 21.023 -9.920 11.950 1.00 1.00 N ATOM 1421 CD2 HIS A 91 18.955 -10.305 12.602 1.00 1.00 C ATOM 1422 CE1 HIS A 91 20.829 -11.248 12.057 1.00 1.00 C ATOM 1423 NE2 HIS A 91 19.585 -11.537 12.450 1.00 1.00 N ATOM 0 H HIS A 91 17.832 -8.926 11.148 1.00 1.00 H new ATOM 0 HA HIS A 91 18.881 -6.286 10.973 1.00 1.00 H new ATOM 0 HB2 HIS A 91 20.637 -7.324 12.523 1.00 1.00 H new ATOM 0 HB3 HIS A 91 18.982 -7.492 13.073 1.00 1.00 H new ATOM 0 HD2 HIS A 91 17.931 -10.165 12.914 1.00 1.00 H new ATOM 0 HE1 HIS A 91 21.587 -11.989 11.850 1.00 1.00 H new ATOM 0 HE2 HIS A 91 19.183 -12.462 12.605 1.00 1.00 H new ATOM 1432 N HIS A 92 20.932 -6.340 9.559 1.00 1.00 N ATOM 1433 CA HIS A 92 22.017 -6.317 8.578 1.00 1.00 C ATOM 1434 C HIS A 92 23.198 -7.177 9.033 1.00 1.00 C ATOM 1435 O HIS A 92 24.252 -6.666 9.410 1.00 1.00 O ATOM 1436 CB HIS A 92 22.486 -4.874 8.354 1.00 1.00 C ATOM 1437 CG HIS A 92 22.992 -4.288 9.648 1.00 1.00 C ATOM 1438 ND1 HIS A 92 24.331 -3.991 9.849 1.00 1.00 N ATOM 1439 CD2 HIS A 92 22.351 -3.932 10.809 1.00 1.00 C ATOM 1440 CE1 HIS A 92 24.452 -3.478 11.088 1.00 1.00 C ATOM 1441 NE2 HIS A 92 23.276 -3.420 11.717 1.00 1.00 N ATOM 0 H HIS A 92 20.715 -5.429 9.963 1.00 1.00 H new ATOM 0 HA HIS A 92 21.635 -6.730 7.644 1.00 1.00 H new ATOM 0 HB2 HIS A 92 23.275 -4.852 7.602 1.00 1.00 H new ATOM 0 HB3 HIS A 92 21.663 -4.271 7.970 1.00 1.00 H new ATOM 0 HD2 HIS A 92 21.291 -4.033 10.991 1.00 1.00 H new ATOM 0 HE1 HIS A 92 25.387 -3.153 11.520 1.00 1.00 H new ATOM 0 HE2 HIS A 92 23.094 -3.075 12.659 1.00 1.00 H new ATOM 1450 N HIS A 93 23.021 -8.493 8.992 1.00 1.00 N ATOM 1451 CA HIS A 93 24.077 -9.416 9.394 1.00 1.00 C ATOM 1452 C HIS A 93 25.299 -9.251 8.492 1.00 1.00 C ATOM 1453 O HIS A 93 26.434 -9.195 8.967 1.00 1.00 O ATOM 1454 CB HIS A 93 23.564 -10.857 9.321 1.00 1.00 C ATOM 1455 CG HIS A 93 24.642 -11.807 9.776 1.00 1.00 C ATOM 1456 ND1 HIS A 93 25.055 -11.878 11.096 1.00 1.00 N ATOM 1457 CD2 HIS A 93 25.403 -12.724 9.094 1.00 1.00 C ATOM 1458 CE1 HIS A 93 26.025 -12.809 11.168 1.00 1.00 C ATOM 1459 NE2 HIS A 93 26.275 -13.355 9.975 1.00 1.00 N ATOM 0 H HIS A 93 22.159 -8.944 8.685 1.00 1.00 H new ATOM 0 HA HIS A 93 24.368 -9.191 10.420 1.00 1.00 H new ATOM 0 HB2 HIS A 93 22.679 -10.970 9.947 1.00 1.00 H new ATOM 0 HB3 HIS A 93 23.264 -11.095 8.300 1.00 1.00 H new ATOM 0 HD2 HIS A 93 25.335 -12.925 8.035 1.00 1.00 H new ATOM 0 HE1 HIS A 93 26.538 -13.081 12.079 1.00 1.00 H new ATOM 0 HE2 HIS A 93 26.959 -14.080 9.757 1.00 1.00 H new ATOM 1468 N HIS A 94 25.066 -9.168 7.187 1.00 1.00 N ATOM 1469 CA HIS A 94 26.156 -9.016 6.226 1.00 1.00 C ATOM 1470 C HIS A 94 26.766 -7.619 6.310 1.00 1.00 C ATOM 1471 O HIS A 94 26.074 -6.611 6.165 1.00 1.00 O ATOM 1472 CB HIS A 94 25.634 -9.255 4.808 1.00 1.00 C ATOM 1473 CG HIS A 94 25.064 -10.645 4.710 1.00 1.00 C ATOM 1474 ND1 HIS A 94 25.868 -11.774 4.657 1.00 1.00 N ATOM 1475 CD2 HIS A 94 23.771 -11.103 4.654 1.00 1.00 C ATOM 1476 CE1 HIS A 94 25.058 -12.847 4.572 1.00 1.00 C ATOM 1477 NE2 HIS A 94 23.770 -12.492 4.568 1.00 1.00 N ATOM 0 H HIS A 94 24.136 -9.203 6.770 1.00 1.00 H new ATOM 0 HA HIS A 94 26.926 -9.749 6.466 1.00 1.00 H new ATOM 0 HB2 HIS A 94 24.869 -8.519 4.562 1.00 1.00 H new ATOM 0 HB3 HIS A 94 26.441 -9.130 4.086 1.00 1.00 H new ATOM 0 HD2 HIS A 94 22.889 -10.480 4.674 1.00 1.00 H new ATOM 0 HE1 HIS A 94 25.407 -13.868 4.514 1.00 1.00 H new ATOM 0 HE2 HIS A 94 22.959 -13.108 4.514 1.00 1.00 H new ATOM 1486 N HIS A 95 28.073 -7.562 6.541 1.00 1.00 N ATOM 1487 CA HIS A 95 28.777 -6.285 6.639 1.00 1.00 C ATOM 1488 C HIS A 95 28.874 -5.627 5.267 1.00 1.00 C ATOM 1489 O HIS A 95 29.206 -6.281 4.279 1.00 1.00 O ATOM 1490 CB HIS A 95 30.180 -6.509 7.211 1.00 1.00 C ATOM 1491 CG HIS A 95 30.903 -7.539 6.386 1.00 1.00 C ATOM 1492 ND1 HIS A 95 30.609 -8.891 6.469 1.00 1.00 N ATOM 1493 CD2 HIS A 95 31.912 -7.432 5.461 1.00 1.00 C ATOM 1494 CE1 HIS A 95 31.426 -9.538 5.619 1.00 1.00 C ATOM 1495 NE2 HIS A 95 32.241 -8.695 4.979 1.00 1.00 N ATOM 0 H HIS A 95 28.667 -8.382 6.664 1.00 1.00 H new ATOM 0 HA HIS A 95 28.219 -5.626 7.304 1.00 1.00 H new ATOM 0 HB2 HIS A 95 30.737 -5.572 7.211 1.00 1.00 H new ATOM 0 HB3 HIS A 95 30.113 -6.840 8.247 1.00 1.00 H new ATOM 0 HD2 HIS A 95 32.379 -6.508 5.154 1.00 1.00 H new ATOM 0 HE1 HIS A 95 31.424 -10.608 5.472 1.00 1.00 H new ATOM 0 HE2 HIS A 95 32.952 -8.927 4.286 1.00 1.00 H new ATOM 1504 N HIS A 96 28.579 -4.332 5.212 1.00 1.00 N ATOM 1505 CA HIS A 96 28.628 -3.581 3.964 1.00 1.00 C ATOM 1506 C HIS A 96 30.056 -3.524 3.429 1.00 1.00 C ATOM 1507 O HIS A 96 30.970 -3.495 4.235 1.00 1.00 O ATOM 1508 CB HIS A 96 28.109 -2.161 4.214 1.00 1.00 C ATOM 1509 CG HIS A 96 28.055 -1.396 2.920 1.00 1.00 C ATOM 1510 ND1 HIS A 96 28.567 -0.115 2.801 1.00 1.00 N ATOM 1511 CD2 HIS A 96 27.548 -1.714 1.685 1.00 1.00 C ATOM 1512 CE1 HIS A 96 28.361 0.288 1.534 1.00 1.00 C ATOM 1513 NE2 HIS A 96 27.743 -0.649 0.810 1.00 1.00 N ATOM 1514 OXT HIS A 96 30.212 -3.505 2.218 1.00 1.00 O ATOM 0 H HIS A 96 28.302 -3.779 6.023 1.00 1.00 H new ATOM 0 HA HIS A 96 28.003 -4.079 3.222 1.00 1.00 H new ATOM 0 HB2 HIS A 96 27.117 -2.202 4.663 1.00 1.00 H new ATOM 0 HB3 HIS A 96 28.759 -1.647 4.923 1.00 1.00 H new ATOM 0 HD2 HIS A 96 27.070 -2.649 1.431 1.00 1.00 H new ATOM 0 HE1 HIS A 96 28.659 1.252 1.149 1.00 1.00 H new ATOM 0 HE2 HIS A 96 27.472 -0.596 -0.172 1.00 1.00 H new TER 1523 HIS A 96