USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 660 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 22 CYS SG : rot -3:sc= -3.49! USER MOD Set 1.2: A 26 HIS : no HD1:sc= -9.03! C(o=-13!,f=-24!) USER MOD Single : A 1 GLY N :NH3+ -134:sc= 0.0677 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -0.127 K(o=-0.13,f=-0.73) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= -0.155 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -40:sc= 1.04 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.692 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.16 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0259 USER MOD Single : A 42 SER OG : rot -37:sc= -2.73! USER MOD Single : A 43 TYR OH : rot 180:sc= -0.856 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -1.59 K(o=-1.6,f=-1) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HE2:sc= -1.69 K(o=-1.7,f=-4.6!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 80:sc= 1.26 USER MOD Single : A 89 SER OG : rot -8:sc= 0.988 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.242 -10.702 -12.762 1.00 0.00 N ATOM 2 CA GLY A 1 -6.105 -11.547 -13.636 1.00 0.00 C ATOM 3 C GLY A 1 -7.570 -11.200 -13.395 1.00 0.00 C ATOM 4 O GLY A 1 -7.902 -10.060 -13.067 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.454 -10.317 -13.321 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.804 -9.919 -12.371 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.865 -11.280 -11.984 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.850 -11.385 -14.683 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.931 -12.602 -13.425 1.00 0.00 H new ATOM 10 N HIS A 2 -8.442 -12.188 -13.558 1.00 0.00 N ATOM 11 CA HIS A 2 -9.871 -11.975 -13.356 1.00 0.00 C ATOM 12 C HIS A 2 -10.146 -11.537 -11.922 1.00 0.00 C ATOM 13 O HIS A 2 -10.885 -10.582 -11.685 1.00 0.00 O ATOM 14 CB HIS A 2 -10.638 -13.263 -13.654 1.00 0.00 C ATOM 15 CG HIS A 2 -12.111 -13.026 -13.458 1.00 0.00 C ATOM 16 ND1 HIS A 2 -12.732 -13.213 -12.232 1.00 0.00 N ATOM 17 CD2 HIS A 2 -13.098 -12.621 -14.321 1.00 0.00 C ATOM 18 CE1 HIS A 2 -14.036 -12.921 -12.390 1.00 0.00 C ATOM 19 NE2 HIS A 2 -14.313 -12.555 -13.644 1.00 0.00 N ATOM 0 H HIS A 2 -8.188 -13.138 -13.828 1.00 0.00 H new ATOM 0 HA HIS A 2 -10.204 -11.190 -14.035 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -10.444 -13.586 -14.677 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -10.297 -14.063 -12.997 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -12.954 -12.389 -15.366 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -14.769 -12.976 -11.599 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -15.220 -12.285 -14.024 1.00 0.00 H new ATOM 28 N MET A 3 -9.541 -12.239 -10.969 1.00 0.00 N ATOM 29 CA MET A 3 -9.725 -11.907 -9.560 1.00 0.00 C ATOM 30 C MET A 3 -8.766 -12.710 -8.690 1.00 0.00 C ATOM 31 O MET A 3 -8.799 -13.941 -8.693 1.00 0.00 O ATOM 32 CB MET A 3 -11.169 -12.195 -9.136 1.00 0.00 C ATOM 33 CG MET A 3 -11.410 -11.682 -7.710 1.00 0.00 C ATOM 34 SD MET A 3 -10.757 -12.878 -6.518 1.00 0.00 S ATOM 35 CE MET A 3 -12.252 -13.888 -6.372 1.00 0.00 C ATOM 0 H MET A 3 -8.925 -13.033 -11.143 1.00 0.00 H new ATOM 0 HA MET A 3 -9.515 -10.846 -9.427 1.00 0.00 H new ATOM 0 HB2 MET A 3 -11.862 -11.714 -9.826 1.00 0.00 H new ATOM 0 HB3 MET A 3 -11.364 -13.266 -9.184 1.00 0.00 H new ATOM 0 HG2 MET A 3 -10.925 -10.715 -7.573 1.00 0.00 H new ATOM 0 HG3 MET A 3 -12.476 -11.531 -7.542 1.00 0.00 H new ATOM 0 HE1 MET A 3 -12.073 -14.704 -5.671 1.00 0.00 H new ATOM 0 HE2 MET A 3 -13.074 -13.271 -6.009 1.00 0.00 H new ATOM 0 HE3 MET A 3 -12.511 -14.299 -7.348 1.00 0.00 H new ATOM 45 N SER A 4 -7.918 -12.008 -7.942 1.00 0.00 N ATOM 46 CA SER A 4 -6.953 -12.669 -7.072 1.00 0.00 C ATOM 47 C SER A 4 -6.186 -13.733 -7.849 1.00 0.00 C ATOM 48 O SER A 4 -6.475 -13.981 -9.020 1.00 0.00 O ATOM 49 CB SER A 4 -7.676 -13.319 -5.890 1.00 0.00 C ATOM 50 OG SER A 4 -6.716 -13.847 -4.986 1.00 0.00 O ATOM 0 H SER A 4 -7.880 -10.989 -7.922 1.00 0.00 H new ATOM 0 HA SER A 4 -6.250 -11.924 -6.700 1.00 0.00 H new ATOM 0 HB2 SER A 4 -8.304 -12.585 -5.384 1.00 0.00 H new ATOM 0 HB3 SER A 4 -8.335 -14.112 -6.243 1.00 0.00 H new ATOM 0 HG SER A 4 -7.176 -14.263 -4.227 1.00 0.00 H new ATOM 56 N ASP A 5 -5.202 -14.348 -7.197 1.00 0.00 N ATOM 57 CA ASP A 5 -4.394 -15.375 -7.823 1.00 0.00 C ATOM 58 C ASP A 5 -3.406 -14.761 -8.814 1.00 0.00 C ATOM 59 O ASP A 5 -3.450 -15.049 -10.009 1.00 0.00 O ATOM 60 CB ASP A 5 -5.295 -16.377 -8.539 1.00 0.00 C ATOM 61 CG ASP A 5 -6.580 -16.586 -7.747 1.00 0.00 C ATOM 62 OD1 ASP A 5 -6.513 -16.570 -6.528 1.00 0.00 O ATOM 63 OD2 ASP A 5 -7.614 -16.760 -8.370 1.00 0.00 O ATOM 0 H ASP A 5 -4.949 -14.147 -6.230 1.00 0.00 H new ATOM 0 HA ASP A 5 -3.826 -15.889 -7.047 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -5.530 -16.015 -9.540 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -4.773 -17.327 -8.658 1.00 0.00 H new ATOM 68 N LEU A 6 -2.517 -13.915 -8.313 1.00 0.00 N ATOM 69 CA LEU A 6 -1.527 -13.275 -9.165 1.00 0.00 C ATOM 70 C LEU A 6 -0.486 -14.287 -9.636 1.00 0.00 C ATOM 71 O LEU A 6 -0.638 -15.494 -9.439 1.00 0.00 O ATOM 72 CB LEU A 6 -0.848 -12.145 -8.382 1.00 0.00 C ATOM 73 CG LEU A 6 -1.742 -10.898 -8.341 1.00 0.00 C ATOM 74 CD1 LEU A 6 -1.342 -10.029 -7.137 1.00 0.00 C ATOM 75 CD2 LEU A 6 -1.570 -10.086 -9.637 1.00 0.00 C ATOM 0 H LEU A 6 -2.461 -13.658 -7.328 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.023 -12.866 -10.045 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.633 -12.478 -7.367 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.107 -11.898 -8.845 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.784 -11.204 -8.247 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.974 -9.142 -7.103 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.469 -10.601 -6.218 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.299 -9.728 -7.236 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.208 -9.203 -9.600 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.529 -9.778 -9.738 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.851 -10.701 -10.492 1.00 0.00 H new ATOM 87 N SER A 7 0.576 -13.779 -10.258 1.00 0.00 N ATOM 88 CA SER A 7 1.656 -14.618 -10.763 1.00 0.00 C ATOM 89 C SER A 7 2.799 -14.617 -9.777 1.00 0.00 C ATOM 90 O SER A 7 2.744 -13.910 -8.768 1.00 0.00 O ATOM 91 CB SER A 7 2.129 -14.115 -12.118 1.00 0.00 C ATOM 92 OG SER A 7 1.247 -14.602 -13.119 1.00 0.00 O ATOM 0 H SER A 7 0.710 -12.782 -10.424 1.00 0.00 H new ATOM 0 HA SER A 7 1.288 -15.637 -10.885 1.00 0.00 H new ATOM 0 HB2 SER A 7 2.149 -13.025 -12.130 1.00 0.00 H new ATOM 0 HB3 SER A 7 3.146 -14.455 -12.313 1.00 0.00 H new ATOM 0 HG SER A 7 1.541 -14.283 -13.998 1.00 0.00 H new ATOM 98 N THR A 8 3.843 -15.395 -10.071 1.00 0.00 N ATOM 99 CA THR A 8 5.008 -15.487 -9.194 1.00 0.00 C ATOM 100 C THR A 8 4.586 -15.747 -7.744 1.00 0.00 C ATOM 101 O THR A 8 5.431 -15.920 -6.866 1.00 0.00 O ATOM 102 CB THR A 8 5.833 -14.195 -9.268 1.00 0.00 C ATOM 103 OG1 THR A 8 5.830 -13.707 -10.605 1.00 0.00 O ATOM 104 CG2 THR A 8 7.278 -14.472 -8.834 1.00 0.00 C ATOM 0 H THR A 8 3.904 -15.970 -10.911 1.00 0.00 H new ATOM 0 HA THR A 8 5.618 -16.324 -9.533 1.00 0.00 H new ATOM 0 HB THR A 8 5.393 -13.452 -8.603 1.00 0.00 H new ATOM 0 HG1 THR A 8 6.355 -12.881 -10.653 1.00 0.00 H new ATOM 0 HG21 THR A 8 7.857 -13.550 -8.889 1.00 0.00 H new ATOM 0 HG22 THR A 8 7.285 -14.844 -7.810 1.00 0.00 H new ATOM 0 HG23 THR A 8 7.720 -15.218 -9.494 1.00 0.00 H new ATOM 112 N ALA A 9 3.274 -15.743 -7.506 1.00 0.00 N ATOM 113 CA ALA A 9 2.740 -15.943 -6.183 1.00 0.00 C ATOM 114 C ALA A 9 3.218 -14.824 -5.253 1.00 0.00 C ATOM 115 O ALA A 9 4.320 -14.896 -4.706 1.00 0.00 O ATOM 116 CB ALA A 9 3.196 -17.292 -5.673 1.00 0.00 C ATOM 0 H ALA A 9 2.567 -15.601 -8.227 1.00 0.00 H new ATOM 0 HA ALA A 9 1.651 -15.918 -6.212 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.798 -17.456 -4.671 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.834 -18.074 -6.340 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.285 -17.319 -5.640 1.00 0.00 H new ATOM 122 N PRO A 10 2.425 -13.791 -5.074 1.00 0.00 N ATOM 123 CA PRO A 10 2.795 -12.635 -4.205 1.00 0.00 C ATOM 124 C PRO A 10 3.277 -13.088 -2.836 1.00 0.00 C ATOM 125 O PRO A 10 2.703 -13.993 -2.227 1.00 0.00 O ATOM 126 CB PRO A 10 1.492 -11.824 -4.096 1.00 0.00 C ATOM 127 CG PRO A 10 0.720 -12.175 -5.316 1.00 0.00 C ATOM 128 CD PRO A 10 1.101 -13.607 -5.683 1.00 0.00 C ATOM 0 HA PRO A 10 3.621 -12.056 -4.618 1.00 0.00 H new ATOM 0 HB2 PRO A 10 0.941 -12.082 -3.192 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.695 -10.754 -4.051 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -0.351 -12.095 -5.132 1.00 0.00 H new ATOM 0 HG3 PRO A 10 0.955 -11.491 -6.132 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.379 -14.324 -5.293 1.00 0.00 H new ATOM 0 HD3 PRO A 10 1.136 -13.746 -6.764 1.00 0.00 H new ATOM 136 N THR A 11 4.337 -12.448 -2.359 1.00 0.00 N ATOM 137 CA THR A 11 4.915 -12.779 -1.050 1.00 0.00 C ATOM 138 C THR A 11 4.843 -11.577 -0.121 1.00 0.00 C ATOM 139 O THR A 11 4.814 -10.436 -0.569 1.00 0.00 O ATOM 140 CB THR A 11 6.375 -13.219 -1.208 1.00 0.00 C ATOM 141 OG1 THR A 11 6.453 -14.268 -2.164 1.00 0.00 O ATOM 142 CG2 THR A 11 6.913 -13.711 0.139 1.00 0.00 C ATOM 0 H THR A 11 4.818 -11.697 -2.854 1.00 0.00 H new ATOM 0 HA THR A 11 4.340 -13.598 -0.619 1.00 0.00 H new ATOM 0 HB THR A 11 6.973 -12.373 -1.547 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.386 -14.548 -2.267 1.00 0.00 H new ATOM 0 HG21 THR A 11 7.951 -14.023 0.024 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.855 -12.905 0.870 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.316 -14.556 0.483 1.00 0.00 H new ATOM 150 N LEU A 12 4.802 -11.848 1.175 1.00 0.00 N ATOM 151 CA LEU A 12 4.700 -10.781 2.162 1.00 0.00 C ATOM 152 C LEU A 12 5.751 -9.713 1.894 1.00 0.00 C ATOM 153 O LEU A 12 5.473 -8.516 1.988 1.00 0.00 O ATOM 154 CB LEU A 12 4.904 -11.358 3.572 1.00 0.00 C ATOM 155 CG LEU A 12 3.613 -12.025 4.058 1.00 0.00 C ATOM 156 CD1 LEU A 12 3.328 -13.270 3.211 1.00 0.00 C ATOM 157 CD2 LEU A 12 3.773 -12.435 5.524 1.00 0.00 C ATOM 0 H LEU A 12 4.837 -12.789 1.567 1.00 0.00 H new ATOM 0 HA LEU A 12 3.710 -10.331 2.091 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.717 -12.084 3.562 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.194 -10.564 4.260 1.00 0.00 H new ATOM 0 HG LEU A 12 2.785 -11.323 3.962 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.409 -13.744 3.558 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.215 -12.981 2.166 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.156 -13.972 3.306 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.855 -12.910 5.871 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.602 -13.136 5.617 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.976 -11.551 6.129 1.00 0.00 H new ATOM 169 N ASP A 13 6.953 -10.150 1.554 1.00 0.00 N ATOM 170 CA ASP A 13 8.026 -9.214 1.269 1.00 0.00 C ATOM 171 C ASP A 13 7.760 -8.484 -0.035 1.00 0.00 C ATOM 172 O ASP A 13 8.072 -7.304 -0.153 1.00 0.00 O ATOM 173 CB ASP A 13 9.362 -9.942 1.169 1.00 0.00 C ATOM 174 CG ASP A 13 9.454 -11.001 2.267 1.00 0.00 C ATOM 175 OD1 ASP A 13 8.955 -10.744 3.351 1.00 0.00 O ATOM 176 OD2 ASP A 13 10.012 -12.054 2.006 1.00 0.00 O ATOM 0 H ASP A 13 7.207 -11.134 1.470 1.00 0.00 H new ATOM 0 HA ASP A 13 8.069 -8.494 2.087 1.00 0.00 H new ATOM 0 HB2 ASP A 13 9.460 -10.410 0.190 1.00 0.00 H new ATOM 0 HB3 ASP A 13 10.183 -9.231 1.266 1.00 0.00 H new ATOM 181 N SER A 14 7.178 -9.186 -1.012 1.00 0.00 N ATOM 182 CA SER A 14 6.879 -8.577 -2.301 1.00 0.00 C ATOM 183 C SER A 14 5.817 -7.497 -2.145 1.00 0.00 C ATOM 184 O SER A 14 5.885 -6.439 -2.784 1.00 0.00 O ATOM 185 CB SER A 14 6.402 -9.632 -3.278 1.00 0.00 C ATOM 186 OG SER A 14 5.105 -10.078 -2.898 1.00 0.00 O ATOM 0 H SER A 14 6.909 -10.167 -0.932 1.00 0.00 H new ATOM 0 HA SER A 14 7.790 -8.120 -2.687 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.376 -9.223 -4.288 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.097 -10.471 -3.292 1.00 0.00 H new ATOM 0 HG SER A 14 5.058 -10.155 -1.922 1.00 0.00 H new ATOM 192 N LEU A 15 4.829 -7.755 -1.309 1.00 0.00 N ATOM 193 CA LEU A 15 3.785 -6.774 -1.092 1.00 0.00 C ATOM 194 C LEU A 15 4.344 -5.625 -0.264 1.00 0.00 C ATOM 195 O LEU A 15 4.477 -4.503 -0.748 1.00 0.00 O ATOM 196 CB LEU A 15 2.607 -7.420 -0.358 1.00 0.00 C ATOM 197 CG LEU A 15 2.144 -8.653 -1.134 1.00 0.00 C ATOM 198 CD1 LEU A 15 1.080 -9.381 -0.319 1.00 0.00 C ATOM 199 CD2 LEU A 15 1.565 -8.235 -2.492 1.00 0.00 C ATOM 0 H LEU A 15 4.728 -8.620 -0.778 1.00 0.00 H new ATOM 0 HA LEU A 15 3.435 -6.395 -2.052 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.903 -7.702 0.652 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.788 -6.707 -0.263 1.00 0.00 H new ATOM 0 HG LEU A 15 2.993 -9.315 -1.307 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.743 -10.262 -0.865 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.501 -9.686 0.639 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.234 -8.715 -0.148 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.238 -9.121 -3.036 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.715 -7.571 -2.336 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.330 -7.716 -3.069 1.00 0.00 H new ATOM 211 N ARG A 16 4.654 -5.903 0.990 1.00 0.00 N ATOM 212 CA ARG A 16 5.162 -4.862 1.881 1.00 0.00 C ATOM 213 C ARG A 16 6.055 -3.875 1.121 1.00 0.00 C ATOM 214 O ARG A 16 5.849 -2.654 1.185 1.00 0.00 O ATOM 215 CB ARG A 16 5.976 -5.508 3.000 1.00 0.00 C ATOM 216 CG ARG A 16 6.637 -4.422 3.886 1.00 0.00 C ATOM 217 CD ARG A 16 8.111 -4.239 3.498 1.00 0.00 C ATOM 218 NE ARG A 16 8.756 -3.311 4.413 1.00 0.00 N ATOM 219 CZ ARG A 16 9.975 -2.856 4.170 1.00 0.00 C ATOM 220 NH1 ARG A 16 10.611 -3.241 3.096 1.00 0.00 N ATOM 221 NH2 ARG A 16 10.535 -2.021 4.997 1.00 0.00 N ATOM 0 H ARG A 16 4.566 -6.826 1.415 1.00 0.00 H new ATOM 0 HA ARG A 16 4.312 -4.318 2.294 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.330 -6.140 3.610 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.743 -6.154 2.573 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.105 -3.478 3.773 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.563 -4.706 4.936 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.624 -5.201 3.521 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.183 -3.864 2.477 1.00 0.00 H new ATOM 0 HE ARG A 16 8.263 -3.007 5.253 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.168 -3.891 2.447 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.550 -2.892 2.907 1.00 0.00 H new ATOM 0 HH21 ARG A 16 10.034 -1.717 5.832 1.00 0.00 H new ATOM 0 HH22 ARG A 16 11.474 -1.670 4.810 1.00 0.00 H new ATOM 235 N VAL A 17 7.034 -4.411 0.389 1.00 0.00 N ATOM 236 CA VAL A 17 7.946 -3.570 -0.387 1.00 0.00 C ATOM 237 C VAL A 17 7.169 -2.793 -1.449 1.00 0.00 C ATOM 238 O VAL A 17 7.496 -1.648 -1.755 1.00 0.00 O ATOM 239 CB VAL A 17 9.012 -4.446 -1.059 1.00 0.00 C ATOM 240 CG1 VAL A 17 9.765 -5.275 0.006 1.00 0.00 C ATOM 241 CG2 VAL A 17 8.317 -5.377 -2.038 1.00 0.00 C ATOM 0 H VAL A 17 7.214 -5.412 0.318 1.00 0.00 H new ATOM 0 HA VAL A 17 8.432 -2.861 0.283 1.00 0.00 H new ATOM 0 HB VAL A 17 9.733 -3.818 -1.583 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.519 -5.893 -0.481 1.00 0.00 H new ATOM 0 HG12 VAL A 17 10.249 -4.603 0.715 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.059 -5.914 0.536 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.058 -6.009 -2.527 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.604 -6.002 -1.501 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.790 -4.788 -2.789 1.00 0.00 H new ATOM 251 N TRP A 18 6.132 -3.413 -2.009 1.00 0.00 N ATOM 252 CA TRP A 18 5.326 -2.736 -3.019 1.00 0.00 C ATOM 253 C TRP A 18 4.664 -1.484 -2.436 1.00 0.00 C ATOM 254 O TRP A 18 4.744 -0.406 -3.011 1.00 0.00 O ATOM 255 CB TRP A 18 4.239 -3.712 -3.557 1.00 0.00 C ATOM 256 CG TRP A 18 2.857 -3.274 -3.136 1.00 0.00 C ATOM 257 CD1 TRP A 18 2.169 -3.722 -2.050 1.00 0.00 C ATOM 258 CD2 TRP A 18 2.001 -2.279 -3.756 1.00 0.00 C ATOM 259 NE1 TRP A 18 0.972 -3.069 -1.976 1.00 0.00 N ATOM 260 CE2 TRP A 18 0.816 -2.179 -2.994 1.00 0.00 C ATOM 261 CE3 TRP A 18 2.124 -1.464 -4.893 1.00 0.00 C ATOM 262 CZ2 TRP A 18 -0.197 -1.308 -3.329 1.00 0.00 C ATOM 263 CZ3 TRP A 18 1.092 -0.583 -5.238 1.00 0.00 C ATOM 264 CH2 TRP A 18 -0.069 -0.513 -4.450 1.00 0.00 C ATOM 0 H TRP A 18 5.835 -4.363 -1.786 1.00 0.00 H new ATOM 0 HA TRP A 18 5.976 -2.428 -3.838 1.00 0.00 H new ATOM 0 HB2 TRP A 18 4.293 -3.758 -4.645 1.00 0.00 H new ATOM 0 HB3 TRP A 18 4.434 -4.718 -3.186 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.515 -4.475 -1.357 1.00 0.00 H new ATOM 0 HE1 TRP A 18 0.278 -3.229 -1.246 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.015 -1.517 -5.501 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -1.086 -1.247 -2.718 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.189 0.044 -6.112 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -0.864 0.165 -4.722 1.00 0.00 H new ATOM 275 N LEU A 19 3.987 -1.655 -1.306 1.00 0.00 N ATOM 276 CA LEU A 19 3.283 -0.546 -0.674 1.00 0.00 C ATOM 277 C LEU A 19 4.226 0.623 -0.438 1.00 0.00 C ATOM 278 O LEU A 19 4.004 1.728 -0.944 1.00 0.00 O ATOM 279 CB LEU A 19 2.687 -1.025 0.667 1.00 0.00 C ATOM 280 CG LEU A 19 1.150 -1.201 0.567 1.00 0.00 C ATOM 281 CD1 LEU A 19 0.716 -2.457 1.315 1.00 0.00 C ATOM 282 CD2 LEU A 19 0.446 0.034 1.155 1.00 0.00 C ATOM 0 H LEU A 19 3.911 -2.544 -0.812 1.00 0.00 H new ATOM 0 HA LEU A 19 2.483 -0.209 -1.333 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.146 -1.971 0.955 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.923 -0.305 1.451 1.00 0.00 H new ATOM 0 HG LEU A 19 0.871 -1.305 -0.482 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.365 -2.571 1.238 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.204 -3.328 0.878 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.998 -2.371 2.364 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.634 -0.094 1.083 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.728 0.150 2.201 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.744 0.922 0.598 1.00 0.00 H new ATOM 294 N VAL A 20 5.276 0.380 0.326 1.00 0.00 N ATOM 295 CA VAL A 20 6.224 1.441 0.617 1.00 0.00 C ATOM 296 C VAL A 20 6.810 1.993 -0.671 1.00 0.00 C ATOM 297 O VAL A 20 6.858 3.207 -0.868 1.00 0.00 O ATOM 298 CB VAL A 20 7.341 0.894 1.509 1.00 0.00 C ATOM 299 CG1 VAL A 20 7.983 -0.327 0.842 1.00 0.00 C ATOM 300 CG2 VAL A 20 8.399 1.977 1.720 1.00 0.00 C ATOM 0 H VAL A 20 5.492 -0.523 0.749 1.00 0.00 H new ATOM 0 HA VAL A 20 5.708 2.249 1.136 1.00 0.00 H new ATOM 0 HB VAL A 20 6.924 0.600 2.472 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.778 -0.714 1.480 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.228 -1.099 0.694 1.00 0.00 H new ATOM 0 HG13 VAL A 20 8.400 -0.037 -0.122 1.00 0.00 H new ATOM 0 HG21 VAL A 20 9.195 1.589 2.355 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.815 2.272 0.757 1.00 0.00 H new ATOM 0 HG23 VAL A 20 7.943 2.843 2.199 1.00 0.00 H new ATOM 310 N ASP A 21 7.262 1.101 -1.541 1.00 0.00 N ATOM 311 CA ASP A 21 7.854 1.528 -2.798 1.00 0.00 C ATOM 312 C ASP A 21 6.850 2.340 -3.606 1.00 0.00 C ATOM 313 O ASP A 21 7.216 3.300 -4.288 1.00 0.00 O ATOM 314 CB ASP A 21 8.294 0.305 -3.604 1.00 0.00 C ATOM 315 CG ASP A 21 8.947 0.742 -4.912 1.00 0.00 C ATOM 316 OD1 ASP A 21 8.917 1.925 -5.201 1.00 0.00 O ATOM 317 OD2 ASP A 21 9.465 -0.118 -5.607 1.00 0.00 O ATOM 0 H ASP A 21 7.231 0.091 -1.402 1.00 0.00 H new ATOM 0 HA ASP A 21 8.721 2.152 -2.583 1.00 0.00 H new ATOM 0 HB2 ASP A 21 8.996 -0.291 -3.020 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.433 -0.330 -3.813 1.00 0.00 H new ATOM 322 N CYS A 22 5.583 1.954 -3.523 1.00 0.00 N ATOM 323 CA CYS A 22 4.535 2.659 -4.248 1.00 0.00 C ATOM 324 C CYS A 22 4.502 4.125 -3.843 1.00 0.00 C ATOM 325 O CYS A 22 4.524 5.013 -4.696 1.00 0.00 O ATOM 326 CB CYS A 22 3.170 2.026 -3.957 1.00 0.00 C ATOM 327 SG CYS A 22 1.949 2.644 -5.137 1.00 0.00 S ATOM 0 H CYS A 22 5.259 1.164 -2.966 1.00 0.00 H new ATOM 0 HA CYS A 22 4.750 2.585 -5.314 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.240 0.940 -4.026 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.858 2.262 -2.939 1.00 0.00 H new ATOM 0 HG CYS A 22 2.504 3.526 -5.914 1.00 0.00 H new ATOM 333 N VAL A 23 4.442 4.380 -2.540 1.00 0.00 N ATOM 334 CA VAL A 23 4.395 5.757 -2.060 1.00 0.00 C ATOM 335 C VAL A 23 5.672 6.504 -2.449 1.00 0.00 C ATOM 336 O VAL A 23 5.612 7.614 -2.980 1.00 0.00 O ATOM 337 CB VAL A 23 4.257 5.769 -0.541 1.00 0.00 C ATOM 338 CG1 VAL A 23 4.034 7.203 -0.029 1.00 0.00 C ATOM 339 CG2 VAL A 23 3.083 4.891 -0.113 1.00 0.00 C ATOM 0 H VAL A 23 4.425 3.668 -1.810 1.00 0.00 H new ATOM 0 HA VAL A 23 3.537 6.251 -2.516 1.00 0.00 H new ATOM 0 HB VAL A 23 5.179 5.378 -0.112 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.938 7.191 1.057 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.883 7.826 -0.311 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.123 7.609 -0.469 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.994 4.907 0.973 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.163 5.271 -0.558 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.253 3.868 -0.448 1.00 0.00 H new ATOM 349 N ALA A 24 6.826 5.900 -2.171 1.00 0.00 N ATOM 350 CA ALA A 24 8.101 6.537 -2.486 1.00 0.00 C ATOM 351 C ALA A 24 8.094 7.066 -3.912 1.00 0.00 C ATOM 352 O ALA A 24 8.403 8.228 -4.148 1.00 0.00 O ATOM 353 CB ALA A 24 9.239 5.526 -2.316 1.00 0.00 C ATOM 0 H ALA A 24 6.904 4.982 -1.734 1.00 0.00 H new ATOM 0 HA ALA A 24 8.252 7.373 -1.804 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.189 6.005 -2.552 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.258 5.169 -1.286 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.080 4.683 -2.989 1.00 0.00 H new ATOM 359 N GLY A 25 7.753 6.201 -4.855 1.00 0.00 N ATOM 360 CA GLY A 25 7.722 6.599 -6.255 1.00 0.00 C ATOM 361 C GLY A 25 6.698 7.706 -6.485 1.00 0.00 C ATOM 362 O GLY A 25 6.961 8.670 -7.204 1.00 0.00 O ATOM 0 H GLY A 25 7.496 5.229 -4.680 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.710 6.943 -6.561 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.478 5.738 -6.877 1.00 0.00 H new ATOM 366 N HIS A 26 5.525 7.560 -5.877 1.00 0.00 N ATOM 367 CA HIS A 26 4.472 8.552 -6.040 1.00 0.00 C ATOM 368 C HIS A 26 4.953 9.937 -5.622 1.00 0.00 C ATOM 369 O HIS A 26 4.817 10.897 -6.381 1.00 0.00 O ATOM 370 CB HIS A 26 3.258 8.169 -5.188 1.00 0.00 C ATOM 371 CG HIS A 26 2.533 7.020 -5.824 1.00 0.00 C ATOM 372 ND1 HIS A 26 2.142 7.042 -7.153 1.00 0.00 N ATOM 373 CD2 HIS A 26 2.113 5.813 -5.329 1.00 0.00 C ATOM 374 CE1 HIS A 26 1.516 5.880 -7.410 1.00 0.00 C ATOM 375 NE2 HIS A 26 1.470 5.093 -6.333 1.00 0.00 N ATOM 0 H HIS A 26 5.283 6.774 -5.274 1.00 0.00 H new ATOM 0 HA HIS A 26 4.196 8.578 -7.094 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.579 7.897 -4.183 1.00 0.00 H new ATOM 0 HB3 HIS A 26 2.588 9.023 -5.088 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.258 5.472 -4.315 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.101 5.616 -8.371 1.00 0.00 H new ATOM 0 HE2 HIS A 26 1.054 4.165 -6.261 1.00 0.00 H new ATOM 384 N LEU A 27 5.514 10.046 -4.418 1.00 0.00 N ATOM 385 CA LEU A 27 5.996 11.341 -3.942 1.00 0.00 C ATOM 386 C LEU A 27 7.396 11.628 -4.473 1.00 0.00 C ATOM 387 O LEU A 27 7.743 12.776 -4.753 1.00 0.00 O ATOM 388 CB LEU A 27 6.016 11.327 -2.412 1.00 0.00 C ATOM 389 CG LEU A 27 4.607 11.025 -1.881 1.00 0.00 C ATOM 390 CD1 LEU A 27 4.639 10.963 -0.349 1.00 0.00 C ATOM 391 CD2 LEU A 27 3.625 12.121 -2.331 1.00 0.00 C ATOM 0 H LEU A 27 5.644 9.271 -3.767 1.00 0.00 H new ATOM 0 HA LEU A 27 5.330 12.124 -4.303 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.719 10.575 -2.054 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.359 12.290 -2.034 1.00 0.00 H new ATOM 0 HG LEU A 27 4.276 10.066 -2.279 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.639 10.749 0.027 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.323 10.176 -0.031 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.978 11.920 0.047 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.629 11.897 -1.949 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.954 13.085 -1.943 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.596 12.159 -3.420 1.00 0.00 H new ATOM 403 N GLY A 28 8.198 10.578 -4.610 1.00 0.00 N ATOM 404 CA GLY A 28 9.569 10.705 -5.106 1.00 0.00 C ATOM 405 C GLY A 28 10.573 10.734 -3.954 1.00 0.00 C ATOM 406 O GLY A 28 11.783 10.768 -4.177 1.00 0.00 O ATOM 0 H GLY A 28 7.923 9.622 -4.384 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.797 9.871 -5.770 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.662 11.617 -5.696 1.00 0.00 H new ATOM 410 N LEU A 29 10.068 10.722 -2.724 1.00 0.00 N ATOM 411 CA LEU A 29 10.930 10.754 -1.546 1.00 0.00 C ATOM 412 C LEU A 29 11.655 9.421 -1.391 1.00 0.00 C ATOM 413 O LEU A 29 11.523 8.531 -2.231 1.00 0.00 O ATOM 414 CB LEU A 29 10.106 11.041 -0.291 1.00 0.00 C ATOM 415 CG LEU A 29 9.262 12.300 -0.503 1.00 0.00 C ATOM 416 CD1 LEU A 29 8.411 12.558 0.744 1.00 0.00 C ATOM 417 CD2 LEU A 29 10.176 13.507 -0.769 1.00 0.00 C ATOM 0 H LEU A 29 9.070 10.690 -2.517 1.00 0.00 H new ATOM 0 HA LEU A 29 11.664 11.549 -1.676 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.460 10.192 -0.067 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.766 11.174 0.566 1.00 0.00 H new ATOM 0 HG LEU A 29 8.610 12.155 -1.364 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.809 13.454 0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.755 11.706 0.919 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.063 12.698 1.607 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.567 14.399 -0.919 1.00 0.00 H new ATOM 0 HD22 LEU A 29 10.837 13.658 0.085 1.00 0.00 H new ATOM 0 HD23 LEU A 29 10.773 13.321 -1.662 1.00 0.00 H new ATOM 429 N ASP A 30 12.421 9.293 -0.315 1.00 0.00 N ATOM 430 CA ASP A 30 13.162 8.064 -0.052 1.00 0.00 C ATOM 431 C ASP A 30 12.269 7.027 0.624 1.00 0.00 C ATOM 432 O ASP A 30 11.631 7.307 1.640 1.00 0.00 O ATOM 433 CB ASP A 30 14.366 8.355 0.837 1.00 0.00 C ATOM 434 CG ASP A 30 15.158 7.076 1.080 1.00 0.00 C ATOM 435 OD1 ASP A 30 14.698 6.028 0.654 1.00 0.00 O ATOM 436 OD2 ASP A 30 16.211 7.163 1.688 1.00 0.00 O ATOM 0 H ASP A 30 12.546 10.022 0.388 1.00 0.00 H new ATOM 0 HA ASP A 30 13.504 7.665 -1.007 1.00 0.00 H new ATOM 0 HB2 ASP A 30 15.004 9.103 0.366 1.00 0.00 H new ATOM 0 HB3 ASP A 30 14.034 8.773 1.787 1.00 0.00 H new ATOM 441 N ALA A 31 12.229 5.827 0.053 1.00 0.00 N ATOM 442 CA ALA A 31 11.411 4.754 0.604 1.00 0.00 C ATOM 443 C ALA A 31 11.811 4.430 2.037 1.00 0.00 C ATOM 444 O ALA A 31 10.961 4.111 2.872 1.00 0.00 O ATOM 445 CB ALA A 31 11.551 3.493 -0.256 1.00 0.00 C ATOM 0 H ALA A 31 12.751 5.575 -0.786 1.00 0.00 H new ATOM 0 HA ALA A 31 10.375 5.093 0.602 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.936 2.697 0.163 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.222 3.708 -1.273 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.594 3.177 -0.271 1.00 0.00 H new ATOM 451 N ALA A 32 13.104 4.533 2.325 1.00 0.00 N ATOM 452 CA ALA A 32 13.607 4.240 3.659 1.00 0.00 C ATOM 453 C ALA A 32 13.033 5.189 4.697 1.00 0.00 C ATOM 454 O ALA A 32 13.050 4.895 5.892 1.00 0.00 O ATOM 455 CB ALA A 32 15.131 4.335 3.664 1.00 0.00 C ATOM 0 H ALA A 32 13.819 4.816 1.655 1.00 0.00 H new ATOM 0 HA ALA A 32 13.294 3.229 3.921 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.506 4.115 4.664 1.00 0.00 H new ATOM 0 HB2 ALA A 32 15.543 3.616 2.956 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.434 5.342 3.376 1.00 0.00 H new ATOM 461 N THR A 33 12.532 6.334 4.245 1.00 0.00 N ATOM 462 CA THR A 33 11.966 7.322 5.157 1.00 0.00 C ATOM 463 C THR A 33 10.602 7.780 4.672 1.00 0.00 C ATOM 464 O THR A 33 10.249 8.955 4.787 1.00 0.00 O ATOM 465 CB THR A 33 12.920 8.516 5.280 1.00 0.00 C ATOM 466 OG1 THR A 33 13.533 8.756 4.026 1.00 0.00 O ATOM 467 CG2 THR A 33 14.005 8.202 6.320 1.00 0.00 C ATOM 0 H THR A 33 12.506 6.600 3.261 1.00 0.00 H new ATOM 0 HA THR A 33 11.839 6.864 6.138 1.00 0.00 H new ATOM 0 HB THR A 33 12.360 9.397 5.592 1.00 0.00 H new ATOM 0 HG1 THR A 33 14.142 9.520 4.101 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.683 9.051 6.407 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.538 8.010 7.286 1.00 0.00 H new ATOM 0 HG23 THR A 33 14.565 7.321 6.007 1.00 0.00 H new ATOM 475 N ILE A 34 9.822 6.853 4.136 1.00 0.00 N ATOM 476 CA ILE A 34 8.493 7.219 3.668 1.00 0.00 C ATOM 477 C ILE A 34 7.551 7.399 4.849 1.00 0.00 C ATOM 478 O ILE A 34 7.181 8.522 5.190 1.00 0.00 O ATOM 479 CB ILE A 34 7.959 6.137 2.696 1.00 0.00 C ATOM 480 CG1 ILE A 34 8.338 6.521 1.262 1.00 0.00 C ATOM 481 CG2 ILE A 34 6.429 5.967 2.778 1.00 0.00 C ATOM 482 CD1 ILE A 34 7.472 7.681 0.746 1.00 0.00 C ATOM 0 H ILE A 34 10.074 5.872 4.016 1.00 0.00 H new ATOM 0 HA ILE A 34 8.551 8.166 3.132 1.00 0.00 H new ATOM 0 HB ILE A 34 8.412 5.189 2.985 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.390 6.806 1.226 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.219 5.657 0.608 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.110 5.197 2.076 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.149 5.674 3.790 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.944 6.910 2.526 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.766 7.929 -0.274 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.423 7.386 0.759 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.612 8.552 1.386 1.00 0.00 H new ATOM 494 N ALA A 35 7.142 6.287 5.434 1.00 0.00 N ATOM 495 CA ALA A 35 6.209 6.313 6.542 1.00 0.00 C ATOM 496 C ALA A 35 5.695 4.905 6.828 1.00 0.00 C ATOM 497 O ALA A 35 4.612 4.744 7.384 1.00 0.00 O ATOM 498 CB ALA A 35 5.021 7.235 6.210 1.00 0.00 C ATOM 0 H ALA A 35 7.444 5.353 5.158 1.00 0.00 H new ATOM 0 HA ALA A 35 6.725 6.693 7.424 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.325 7.248 7.049 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.385 8.246 6.025 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.511 6.865 5.321 1.00 0.00 H new ATOM 504 N THR A 36 6.447 3.882 6.420 1.00 0.00 N ATOM 505 CA THR A 36 6.019 2.498 6.628 1.00 0.00 C ATOM 506 C THR A 36 5.311 2.342 7.969 1.00 0.00 C ATOM 507 O THR A 36 4.324 1.616 8.072 1.00 0.00 O ATOM 508 CB THR A 36 7.247 1.588 6.619 1.00 0.00 C ATOM 509 OG1 THR A 36 7.962 1.771 7.836 1.00 0.00 O ATOM 510 CG2 THR A 36 8.153 1.952 5.440 1.00 0.00 C ATOM 0 H THR A 36 7.346 3.983 5.949 1.00 0.00 H new ATOM 0 HA THR A 36 5.329 2.227 5.829 1.00 0.00 H new ATOM 0 HB THR A 36 6.933 0.549 6.521 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.752 1.190 7.842 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.027 1.301 5.438 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.604 1.826 4.507 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.474 2.989 5.535 1.00 0.00 H new ATOM 518 N ASP A 37 5.803 3.033 8.994 1.00 0.00 N ATOM 519 CA ASP A 37 5.193 2.962 10.315 1.00 0.00 C ATOM 520 C ASP A 37 4.232 4.123 10.523 1.00 0.00 C ATOM 521 O ASP A 37 3.390 4.091 11.422 1.00 0.00 O ATOM 522 CB ASP A 37 6.286 3.010 11.379 1.00 0.00 C ATOM 523 CG ASP A 37 7.096 1.721 11.337 1.00 0.00 C ATOM 524 OD1 ASP A 37 6.678 0.805 10.651 1.00 0.00 O ATOM 525 OD2 ASP A 37 8.124 1.669 11.992 1.00 0.00 O ATOM 0 H ASP A 37 6.617 3.644 8.934 1.00 0.00 H new ATOM 0 HA ASP A 37 4.636 2.029 10.396 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.938 3.867 11.207 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.842 3.140 12.366 1.00 0.00 H new ATOM 530 N LEU A 38 4.364 5.159 9.699 1.00 0.00 N ATOM 531 CA LEU A 38 3.504 6.335 9.818 1.00 0.00 C ATOM 532 C LEU A 38 2.373 6.291 8.790 1.00 0.00 C ATOM 533 O LEU A 38 2.488 5.655 7.741 1.00 0.00 O ATOM 534 CB LEU A 38 4.339 7.620 9.608 1.00 0.00 C ATOM 535 CG LEU A 38 4.993 8.067 10.929 1.00 0.00 C ATOM 536 CD1 LEU A 38 6.315 7.332 11.100 1.00 0.00 C ATOM 537 CD2 LEU A 38 5.251 9.578 10.894 1.00 0.00 C ATOM 0 H LEU A 38 5.052 5.210 8.947 1.00 0.00 H new ATOM 0 HA LEU A 38 3.068 6.338 10.817 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.109 7.441 8.858 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.700 8.416 9.225 1.00 0.00 H new ATOM 0 HG LEU A 38 4.329 7.837 11.762 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.786 7.642 12.033 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.133 6.258 11.125 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.974 7.569 10.265 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.714 9.890 11.830 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.917 9.814 10.064 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.306 10.105 10.763 1.00 0.00 H new ATOM 549 N PRO A 39 1.292 6.972 9.068 1.00 0.00 N ATOM 550 CA PRO A 39 0.134 7.040 8.138 1.00 0.00 C ATOM 551 C PRO A 39 0.482 7.805 6.861 1.00 0.00 C ATOM 552 O PRO A 39 1.561 8.387 6.743 1.00 0.00 O ATOM 553 CB PRO A 39 -0.946 7.771 8.953 1.00 0.00 C ATOM 554 CG PRO A 39 -0.198 8.553 9.987 1.00 0.00 C ATOM 555 CD PRO A 39 1.048 7.736 10.306 1.00 0.00 C ATOM 0 HA PRO A 39 -0.188 6.055 7.799 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.541 8.427 8.318 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.635 7.065 9.416 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.068 9.542 9.613 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -0.806 8.703 10.879 1.00 0.00 H new ATOM 0 HD2 PRO A 39 1.894 8.377 10.554 1.00 0.00 H new ATOM 0 HD3 PRO A 39 0.887 7.076 11.158 1.00 0.00 H new ATOM 563 N LEU A 40 -0.450 7.811 5.922 1.00 0.00 N ATOM 564 CA LEU A 40 -0.259 8.523 4.664 1.00 0.00 C ATOM 565 C LEU A 40 -0.381 10.027 4.872 1.00 0.00 C ATOM 566 O LEU A 40 0.132 10.821 4.086 1.00 0.00 O ATOM 567 CB LEU A 40 -1.293 8.049 3.628 1.00 0.00 C ATOM 568 CG LEU A 40 -2.696 8.590 3.969 1.00 0.00 C ATOM 569 CD1 LEU A 40 -3.675 8.210 2.862 1.00 0.00 C ATOM 570 CD2 LEU A 40 -3.164 8.000 5.302 1.00 0.00 C ATOM 0 H LEU A 40 -1.347 7.332 6.005 1.00 0.00 H new ATOM 0 HA LEU A 40 0.743 8.306 4.294 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.000 8.386 2.634 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.315 6.960 3.601 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.655 9.676 4.053 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.666 8.593 3.105 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.341 8.640 1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.718 7.125 2.771 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.156 8.384 5.541 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.204 6.913 5.225 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.466 8.282 6.090 1.00 0.00 H new ATOM 582 N THR A 41 -1.089 10.409 5.928 1.00 0.00 N ATOM 583 CA THR A 41 -1.303 11.818 6.223 1.00 0.00 C ATOM 584 C THR A 41 0.019 12.555 6.262 1.00 0.00 C ATOM 585 O THR A 41 0.094 13.718 5.881 1.00 0.00 O ATOM 586 CB THR A 41 -2.023 11.979 7.564 1.00 0.00 C ATOM 587 OG1 THR A 41 -3.074 11.030 7.650 1.00 0.00 O ATOM 588 CG2 THR A 41 -2.605 13.391 7.667 1.00 0.00 C ATOM 0 H THR A 41 -1.522 9.766 6.590 1.00 0.00 H new ATOM 0 HA THR A 41 -1.924 12.243 5.434 1.00 0.00 H new ATOM 0 HB THR A 41 -1.316 11.818 8.377 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.536 11.130 8.509 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.117 13.505 8.622 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.800 14.122 7.598 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.313 13.553 6.854 1.00 0.00 H new ATOM 596 N SER A 42 1.059 11.883 6.746 1.00 0.00 N ATOM 597 CA SER A 42 2.377 12.498 6.849 1.00 0.00 C ATOM 598 C SER A 42 2.722 13.269 5.574 1.00 0.00 C ATOM 599 O SER A 42 3.409 14.287 5.625 1.00 0.00 O ATOM 600 CB SER A 42 3.432 11.406 7.082 1.00 0.00 C ATOM 601 OG SER A 42 3.671 10.725 5.858 1.00 0.00 O ATOM 0 H SER A 42 1.015 10.917 7.071 1.00 0.00 H new ATOM 0 HA SER A 42 2.368 13.197 7.686 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.356 11.849 7.453 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.087 10.705 7.842 1.00 0.00 H new ATOM 0 HG SER A 42 2.830 10.636 5.363 1.00 0.00 H new ATOM 607 N TYR A 43 2.244 12.776 4.436 1.00 0.00 N ATOM 608 CA TYR A 43 2.518 13.422 3.155 1.00 0.00 C ATOM 609 C TYR A 43 1.771 14.748 3.049 1.00 0.00 C ATOM 610 O TYR A 43 1.957 15.503 2.094 1.00 0.00 O ATOM 611 CB TYR A 43 2.104 12.483 2.015 1.00 0.00 C ATOM 612 CG TYR A 43 2.461 11.052 2.358 1.00 0.00 C ATOM 613 CD1 TYR A 43 3.572 10.758 3.170 1.00 0.00 C ATOM 614 CD2 TYR A 43 1.672 10.007 1.855 1.00 0.00 C ATOM 615 CE1 TYR A 43 3.885 9.433 3.472 1.00 0.00 C ATOM 616 CE2 TYR A 43 1.994 8.680 2.158 1.00 0.00 C ATOM 617 CZ TYR A 43 3.099 8.396 2.969 1.00 0.00 C ATOM 618 OH TYR A 43 3.414 7.090 3.272 1.00 0.00 O ATOM 0 H TYR A 43 1.668 11.936 4.373 1.00 0.00 H new ATOM 0 HA TYR A 43 3.585 13.631 3.083 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.032 12.565 1.838 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.603 12.778 1.092 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.183 11.559 3.560 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.816 10.227 1.234 1.00 0.00 H new ATOM 0 HE1 TYR A 43 4.737 9.209 4.096 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.390 7.875 1.766 1.00 0.00 H new ATOM 0 HH TYR A 43 2.768 6.490 2.845 1.00 0.00 H new ATOM 628 N GLY A 44 0.953 15.036 4.046 1.00 0.00 N ATOM 629 CA GLY A 44 0.214 16.286 4.069 1.00 0.00 C ATOM 630 C GLY A 44 -0.736 16.370 2.888 1.00 0.00 C ATOM 631 O GLY A 44 -1.119 17.459 2.463 1.00 0.00 O ATOM 0 H GLY A 44 0.784 14.426 4.846 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.347 16.365 5.000 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.909 17.125 4.043 1.00 0.00 H new ATOM 635 N LEU A 45 -1.104 15.216 2.351 1.00 0.00 N ATOM 636 CA LEU A 45 -2.001 15.175 1.208 1.00 0.00 C ATOM 637 C LEU A 45 -3.455 15.453 1.611 1.00 0.00 C ATOM 638 O LEU A 45 -3.933 14.986 2.642 1.00 0.00 O ATOM 639 CB LEU A 45 -1.898 13.800 0.532 1.00 0.00 C ATOM 640 CG LEU A 45 -2.687 12.735 1.328 1.00 0.00 C ATOM 641 CD1 LEU A 45 -2.562 11.370 0.643 1.00 0.00 C ATOM 642 CD2 LEU A 45 -2.117 12.637 2.747 1.00 0.00 C ATOM 0 H LEU A 45 -0.798 14.303 2.686 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.700 15.959 0.513 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.285 13.860 -0.485 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.852 13.504 0.458 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.737 13.025 1.367 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.121 10.626 1.210 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.964 11.432 -0.368 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.512 11.080 0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.671 11.887 3.311 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.066 12.351 2.698 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.207 13.603 3.243 1.00 0.00 H new ATOM 654 N ASP A 46 -4.160 16.201 0.783 1.00 0.00 N ATOM 655 CA ASP A 46 -5.554 16.504 1.069 1.00 0.00 C ATOM 656 C ASP A 46 -6.411 15.243 0.938 1.00 0.00 C ATOM 657 O ASP A 46 -5.944 14.214 0.448 1.00 0.00 O ATOM 658 CB ASP A 46 -6.063 17.571 0.108 1.00 0.00 C ATOM 659 CG ASP A 46 -7.452 18.030 0.536 1.00 0.00 C ATOM 660 OD1 ASP A 46 -7.772 17.878 1.703 1.00 0.00 O ATOM 661 OD2 ASP A 46 -8.175 18.522 -0.313 1.00 0.00 O ATOM 0 H ASP A 46 -3.800 16.606 -0.081 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.626 16.876 2.091 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.378 18.419 0.095 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.098 17.173 -0.906 1.00 0.00 H new ATOM 666 N SER A 47 -7.662 15.329 1.380 1.00 0.00 N ATOM 667 CA SER A 47 -8.572 14.190 1.308 1.00 0.00 C ATOM 668 C SER A 47 -8.856 13.821 -0.146 1.00 0.00 C ATOM 669 O SER A 47 -9.050 12.651 -0.475 1.00 0.00 O ATOM 670 CB SER A 47 -9.886 14.527 2.015 1.00 0.00 C ATOM 671 OG SER A 47 -10.473 15.666 1.399 1.00 0.00 O ATOM 0 H SER A 47 -8.067 16.171 1.790 1.00 0.00 H new ATOM 0 HA SER A 47 -8.100 13.340 1.802 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.568 13.679 1.962 1.00 0.00 H new ATOM 0 HB3 SER A 47 -9.704 14.724 3.071 1.00 0.00 H new ATOM 0 HG SER A 47 -11.316 15.883 1.849 1.00 0.00 H new ATOM 677 N VAL A 48 -8.875 14.829 -1.010 1.00 0.00 N ATOM 678 CA VAL A 48 -9.133 14.604 -2.427 1.00 0.00 C ATOM 679 C VAL A 48 -7.979 13.841 -3.064 1.00 0.00 C ATOM 680 O VAL A 48 -8.148 13.172 -4.081 1.00 0.00 O ATOM 681 CB VAL A 48 -9.326 15.941 -3.146 1.00 0.00 C ATOM 682 CG1 VAL A 48 -9.570 15.692 -4.638 1.00 0.00 C ATOM 683 CG2 VAL A 48 -10.531 16.669 -2.546 1.00 0.00 C ATOM 0 H VAL A 48 -8.716 15.804 -0.757 1.00 0.00 H new ATOM 0 HA VAL A 48 -10.043 14.011 -2.521 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.432 16.552 -3.024 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.707 16.645 -5.148 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.713 15.172 -5.065 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.464 15.081 -4.764 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -10.671 17.622 -3.056 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -11.424 16.057 -2.669 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.357 16.848 -1.485 1.00 0.00 H new ATOM 693 N TYR A 49 -6.803 13.952 -2.462 1.00 0.00 N ATOM 694 CA TYR A 49 -5.628 13.271 -2.989 1.00 0.00 C ATOM 695 C TYR A 49 -5.770 11.757 -2.831 1.00 0.00 C ATOM 696 O TYR A 49 -5.494 10.994 -3.757 1.00 0.00 O ATOM 697 CB TYR A 49 -4.367 13.759 -2.251 1.00 0.00 C ATOM 698 CG TYR A 49 -3.207 13.894 -3.217 1.00 0.00 C ATOM 699 CD1 TYR A 49 -3.308 14.781 -4.293 1.00 0.00 C ATOM 700 CD2 TYR A 49 -2.046 13.136 -3.042 1.00 0.00 C ATOM 701 CE1 TYR A 49 -2.249 14.908 -5.195 1.00 0.00 C ATOM 702 CE2 TYR A 49 -0.989 13.260 -3.942 1.00 0.00 C ATOM 703 CZ TYR A 49 -1.089 14.146 -5.022 1.00 0.00 C ATOM 704 OH TYR A 49 -0.046 14.270 -5.917 1.00 0.00 O ATOM 0 H TYR A 49 -6.637 14.500 -1.618 1.00 0.00 H new ATOM 0 HA TYR A 49 -5.537 13.503 -4.050 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.565 14.719 -1.775 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.108 13.058 -1.458 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.205 15.368 -4.427 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -1.968 12.454 -2.209 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -2.326 15.594 -6.025 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -0.093 12.673 -3.807 1.00 0.00 H new ATOM 0 HH TYR A 49 0.684 13.672 -5.653 1.00 0.00 H new ATOM 714 N ALA A 50 -6.187 11.333 -1.642 1.00 0.00 N ATOM 715 CA ALA A 50 -6.341 9.913 -1.363 1.00 0.00 C ATOM 716 C ALA A 50 -7.112 9.236 -2.484 1.00 0.00 C ATOM 717 O ALA A 50 -6.844 8.090 -2.833 1.00 0.00 O ATOM 718 CB ALA A 50 -7.090 9.719 -0.042 1.00 0.00 C ATOM 0 H ALA A 50 -6.422 11.948 -0.863 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.350 9.464 -1.289 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.201 8.654 0.160 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.527 10.185 0.767 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.075 10.180 -0.111 1.00 0.00 H new ATOM 724 N LEU A 51 -8.067 9.957 -3.050 1.00 0.00 N ATOM 725 CA LEU A 51 -8.863 9.405 -4.133 1.00 0.00 C ATOM 726 C LEU A 51 -7.981 9.044 -5.324 1.00 0.00 C ATOM 727 O LEU A 51 -8.059 7.934 -5.854 1.00 0.00 O ATOM 728 CB LEU A 51 -9.916 10.430 -4.572 1.00 0.00 C ATOM 729 CG LEU A 51 -10.673 9.923 -5.824 1.00 0.00 C ATOM 730 CD1 LEU A 51 -12.170 10.223 -5.685 1.00 0.00 C ATOM 731 CD2 LEU A 51 -10.132 10.625 -7.082 1.00 0.00 C ATOM 0 H LEU A 51 -8.307 10.912 -2.782 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.353 8.500 -3.774 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.621 10.607 -3.760 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.436 11.384 -4.791 1.00 0.00 H new ATOM 0 HG LEU A 51 -10.524 8.847 -5.914 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -12.697 9.864 -6.569 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -12.561 9.720 -4.800 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.318 11.298 -5.587 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -10.669 10.264 -7.959 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -10.274 11.702 -6.987 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.070 10.407 -7.192 1.00 0.00 H new ATOM 743 N SER A 52 -7.136 9.982 -5.735 1.00 0.00 N ATOM 744 CA SER A 52 -6.244 9.743 -6.859 1.00 0.00 C ATOM 745 C SER A 52 -5.217 8.679 -6.518 1.00 0.00 C ATOM 746 O SER A 52 -5.018 7.738 -7.280 1.00 0.00 O ATOM 747 CB SER A 52 -5.535 11.043 -7.240 1.00 0.00 C ATOM 748 OG SER A 52 -5.029 10.932 -8.565 1.00 0.00 O ATOM 0 H SER A 52 -7.051 10.906 -5.311 1.00 0.00 H new ATOM 0 HA SER A 52 -6.838 9.390 -7.702 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.228 11.882 -7.172 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.721 11.244 -6.543 1.00 0.00 H new ATOM 0 HG SER A 52 -4.575 11.765 -8.813 1.00 0.00 H new ATOM 754 N ILE A 53 -4.571 8.839 -5.366 1.00 0.00 N ATOM 755 CA ILE A 53 -3.552 7.889 -4.933 1.00 0.00 C ATOM 756 C ILE A 53 -4.167 6.512 -4.719 1.00 0.00 C ATOM 757 O ILE A 53 -3.713 5.516 -5.275 1.00 0.00 O ATOM 758 CB ILE A 53 -2.913 8.376 -3.627 1.00 0.00 C ATOM 759 CG1 ILE A 53 -2.397 9.821 -3.795 1.00 0.00 C ATOM 760 CG2 ILE A 53 -1.750 7.449 -3.239 1.00 0.00 C ATOM 761 CD1 ILE A 53 -1.008 9.836 -4.448 1.00 0.00 C ATOM 0 H ILE A 53 -4.734 9.612 -4.720 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.788 7.817 -5.708 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.665 8.359 -2.838 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.096 10.392 -4.406 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.351 10.310 -2.822 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.300 7.800 -2.310 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.124 6.435 -3.101 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.001 7.455 -4.031 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.667 10.866 -4.555 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.306 9.285 -3.823 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.063 9.368 -5.431 1.00 0.00 H new ATOM 773 N ALA A 54 -5.209 6.464 -3.909 1.00 0.00 N ATOM 774 CA ALA A 54 -5.861 5.201 -3.634 1.00 0.00 C ATOM 775 C ALA A 54 -6.215 4.504 -4.935 1.00 0.00 C ATOM 776 O ALA A 54 -6.064 3.297 -5.039 1.00 0.00 O ATOM 777 CB ALA A 54 -7.130 5.427 -2.823 1.00 0.00 C ATOM 0 H ALA A 54 -5.615 7.272 -3.438 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.175 4.576 -3.061 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.610 4.469 -2.624 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.877 5.910 -1.879 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.812 6.064 -3.385 1.00 0.00 H new ATOM 783 N ALA A 55 -6.674 5.278 -5.919 1.00 0.00 N ATOM 784 CA ALA A 55 -7.047 4.719 -7.221 1.00 0.00 C ATOM 785 C ALA A 55 -5.870 4.010 -7.883 1.00 0.00 C ATOM 786 O ALA A 55 -5.923 2.824 -8.145 1.00 0.00 O ATOM 787 CB ALA A 55 -7.537 5.832 -8.145 1.00 0.00 C ATOM 0 H ALA A 55 -6.796 6.288 -5.842 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.841 3.992 -7.052 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.812 5.408 -9.111 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.406 6.318 -7.701 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.743 6.566 -8.284 1.00 0.00 H new ATOM 793 N GLU A 56 -4.813 4.751 -8.165 1.00 0.00 N ATOM 794 CA GLU A 56 -3.645 4.155 -8.816 1.00 0.00 C ATOM 795 C GLU A 56 -3.110 2.971 -8.006 1.00 0.00 C ATOM 796 O GLU A 56 -2.759 1.930 -8.566 1.00 0.00 O ATOM 797 CB GLU A 56 -2.550 5.210 -8.982 1.00 0.00 C ATOM 798 CG GLU A 56 -2.364 5.956 -7.665 1.00 0.00 C ATOM 799 CD GLU A 56 -1.357 7.086 -7.827 1.00 0.00 C ATOM 800 OE1 GLU A 56 -1.359 7.710 -8.875 1.00 0.00 O ATOM 801 OE2 GLU A 56 -0.601 7.311 -6.899 1.00 0.00 O ATOM 0 H GLU A 56 -4.732 5.747 -7.961 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.948 3.788 -9.797 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.615 4.736 -9.280 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.820 5.909 -9.774 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.320 6.359 -7.331 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.022 5.265 -6.894 1.00 0.00 H new ATOM 808 N LEU A 57 -3.051 3.130 -6.686 1.00 0.00 N ATOM 809 CA LEU A 57 -2.547 2.063 -5.820 1.00 0.00 C ATOM 810 C LEU A 57 -3.368 0.783 -5.983 1.00 0.00 C ATOM 811 O LEU A 57 -2.831 -0.274 -6.286 1.00 0.00 O ATOM 812 CB LEU A 57 -2.602 2.536 -4.348 1.00 0.00 C ATOM 813 CG LEU A 57 -1.227 3.024 -3.873 1.00 0.00 C ATOM 814 CD1 LEU A 57 -0.808 4.257 -4.651 1.00 0.00 C ATOM 815 CD2 LEU A 57 -1.296 3.353 -2.383 1.00 0.00 C ATOM 0 H LEU A 57 -3.342 3.976 -6.196 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.518 1.841 -6.104 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.331 3.340 -4.248 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.941 1.718 -3.712 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.491 2.238 -4.042 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.169 4.592 -4.303 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.752 4.016 -5.713 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.539 5.050 -4.497 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.321 3.700 -2.042 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.038 4.134 -2.217 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.579 2.460 -1.826 1.00 0.00 H new ATOM 827 N GLU A 58 -4.659 0.886 -5.759 1.00 0.00 N ATOM 828 CA GLU A 58 -5.518 -0.281 -5.871 1.00 0.00 C ATOM 829 C GLU A 58 -5.726 -0.668 -7.332 1.00 0.00 C ATOM 830 O GLU A 58 -5.753 -1.849 -7.675 1.00 0.00 O ATOM 831 CB GLU A 58 -6.862 0.003 -5.205 1.00 0.00 C ATOM 832 CG GLU A 58 -7.539 1.224 -5.867 1.00 0.00 C ATOM 833 CD GLU A 58 -8.623 0.800 -6.854 1.00 0.00 C ATOM 834 OE1 GLU A 58 -8.277 0.196 -7.856 1.00 0.00 O ATOM 835 OE2 GLU A 58 -9.779 1.081 -6.591 1.00 0.00 O ATOM 0 H GLU A 58 -5.136 1.750 -5.502 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.034 -1.117 -5.366 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.509 -0.870 -5.288 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.716 0.191 -4.141 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.976 1.860 -5.097 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.788 1.821 -6.385 1.00 0.00 H new ATOM 842 N ASP A 59 -5.875 0.339 -8.184 1.00 0.00 N ATOM 843 CA ASP A 59 -6.090 0.103 -9.607 1.00 0.00 C ATOM 844 C ASP A 59 -4.920 -0.672 -10.195 1.00 0.00 C ATOM 845 O ASP A 59 -5.056 -1.336 -11.222 1.00 0.00 O ATOM 846 CB ASP A 59 -6.246 1.433 -10.347 1.00 0.00 C ATOM 847 CG ASP A 59 -6.474 1.182 -11.832 1.00 0.00 C ATOM 848 OD1 ASP A 59 -6.753 0.050 -12.185 1.00 0.00 O ATOM 849 OD2 ASP A 59 -6.373 2.130 -12.593 1.00 0.00 O ATOM 0 H ASP A 59 -5.851 1.323 -7.916 1.00 0.00 H new ATOM 0 HA ASP A 59 -7.002 -0.482 -9.725 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -7.084 1.993 -9.932 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.354 2.043 -10.206 1.00 0.00 H new ATOM 854 N HIS A 60 -3.774 -0.582 -9.533 1.00 0.00 N ATOM 855 CA HIS A 60 -2.583 -1.288 -9.993 1.00 0.00 C ATOM 856 C HIS A 60 -2.751 -2.795 -9.867 1.00 0.00 C ATOM 857 O HIS A 60 -2.265 -3.558 -10.701 1.00 0.00 O ATOM 858 CB HIS A 60 -1.348 -0.848 -9.168 1.00 0.00 C ATOM 859 CG HIS A 60 -0.646 0.288 -9.886 1.00 0.00 C ATOM 860 ND1 HIS A 60 -0.363 0.233 -11.245 1.00 0.00 N ATOM 861 CD2 HIS A 60 -0.190 1.509 -9.458 1.00 0.00 C ATOM 862 CE1 HIS A 60 0.238 1.387 -11.582 1.00 0.00 C ATOM 863 NE2 HIS A 60 0.368 2.202 -10.531 1.00 0.00 N ATOM 0 H HIS A 60 -3.643 -0.033 -8.684 1.00 0.00 H new ATOM 0 HA HIS A 60 -2.437 -1.037 -11.044 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.656 -0.529 -8.172 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -0.666 -1.688 -9.037 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -0.254 1.877 -8.445 1.00 0.00 H new ATOM 0 HE1 HIS A 60 0.575 1.626 -12.580 1.00 0.00 H new ATOM 0 HE2 HIS A 60 0.786 3.132 -10.517 1.00 0.00 H new ATOM 872 N LEU A 61 -3.381 -3.221 -8.783 1.00 0.00 N ATOM 873 CA LEU A 61 -3.544 -4.647 -8.494 1.00 0.00 C ATOM 874 C LEU A 61 -4.971 -5.089 -8.748 1.00 0.00 C ATOM 875 O LEU A 61 -5.456 -6.013 -8.103 1.00 0.00 O ATOM 876 CB LEU A 61 -3.157 -4.915 -7.017 1.00 0.00 C ATOM 877 CG LEU A 61 -2.212 -3.809 -6.523 1.00 0.00 C ATOM 878 CD1 LEU A 61 -1.930 -3.989 -5.053 1.00 0.00 C ATOM 879 CD2 LEU A 61 -0.881 -3.839 -7.285 1.00 0.00 C ATOM 0 H LEU A 61 -3.791 -2.601 -8.084 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.892 -5.219 -9.154 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.052 -4.947 -6.396 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.673 -5.888 -6.928 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.702 -2.851 -6.698 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.259 -3.200 -4.712 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.864 -3.937 -4.494 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.462 -4.960 -4.888 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.232 -3.046 -6.915 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.397 -4.804 -7.134 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.067 -3.689 -8.348 1.00 0.00 H new ATOM 891 N ASP A 62 -5.642 -4.434 -9.681 1.00 0.00 N ATOM 892 CA ASP A 62 -7.022 -4.787 -9.997 1.00 0.00 C ATOM 893 C ASP A 62 -7.826 -5.046 -8.728 1.00 0.00 C ATOM 894 O ASP A 62 -8.298 -6.161 -8.499 1.00 0.00 O ATOM 895 CB ASP A 62 -7.038 -6.040 -10.851 1.00 0.00 C ATOM 896 CG ASP A 62 -6.533 -5.716 -12.258 1.00 0.00 C ATOM 897 OD1 ASP A 62 -6.426 -4.541 -12.572 1.00 0.00 O ATOM 898 OD2 ASP A 62 -6.265 -6.644 -13.002 1.00 0.00 O ATOM 0 H ASP A 62 -5.262 -3.663 -10.229 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.473 -3.953 -10.534 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.411 -6.808 -10.398 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.049 -6.443 -10.902 1.00 0.00 H new ATOM 903 N VAL A 63 -7.974 -4.018 -7.909 1.00 0.00 N ATOM 904 CA VAL A 63 -8.718 -4.142 -6.661 1.00 0.00 C ATOM 905 C VAL A 63 -9.383 -2.820 -6.313 1.00 0.00 C ATOM 906 O VAL A 63 -8.966 -1.769 -6.785 1.00 0.00 O ATOM 907 CB VAL A 63 -7.761 -4.561 -5.530 1.00 0.00 C ATOM 908 CG1 VAL A 63 -7.507 -6.060 -5.595 1.00 0.00 C ATOM 909 CG2 VAL A 63 -6.425 -3.847 -5.699 1.00 0.00 C ATOM 0 H VAL A 63 -7.591 -3.089 -8.083 1.00 0.00 H new ATOM 0 HA VAL A 63 -9.491 -4.901 -6.781 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.215 -4.298 -4.575 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.829 -6.349 -4.792 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.451 -6.594 -5.483 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.059 -6.312 -6.556 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.749 -4.145 -4.897 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.988 -4.116 -6.661 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.581 -2.769 -5.660 1.00 0.00 H new ATOM 919 N SER A 64 -10.435 -2.881 -5.498 1.00 0.00 N ATOM 920 CA SER A 64 -11.161 -1.679 -5.088 1.00 0.00 C ATOM 921 C SER A 64 -11.092 -1.526 -3.576 1.00 0.00 C ATOM 922 O SER A 64 -11.141 -2.512 -2.837 1.00 0.00 O ATOM 923 CB SER A 64 -12.620 -1.775 -5.522 1.00 0.00 C ATOM 924 OG SER A 64 -12.675 -2.039 -6.916 1.00 0.00 O ATOM 0 H SER A 64 -10.804 -3.749 -5.109 1.00 0.00 H new ATOM 0 HA SER A 64 -10.702 -0.812 -5.563 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.125 -2.567 -4.969 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.142 -0.845 -5.295 1.00 0.00 H new ATOM 0 HG SER A 64 -13.611 -2.103 -7.200 1.00 0.00 H new ATOM 930 N LEU A 65 -10.963 -0.282 -3.117 1.00 0.00 N ATOM 931 CA LEU A 65 -10.869 0.004 -1.684 1.00 0.00 C ATOM 932 C LEU A 65 -12.140 0.676 -1.199 1.00 0.00 C ATOM 933 O LEU A 65 -12.895 1.238 -1.992 1.00 0.00 O ATOM 934 CB LEU A 65 -9.681 0.932 -1.410 1.00 0.00 C ATOM 935 CG LEU A 65 -8.483 0.513 -2.260 1.00 0.00 C ATOM 936 CD1 LEU A 65 -7.289 1.456 -1.986 1.00 0.00 C ATOM 937 CD2 LEU A 65 -8.100 -0.932 -1.924 1.00 0.00 C ATOM 0 H LEU A 65 -10.921 0.544 -3.715 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.729 -0.938 -1.154 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.955 1.963 -1.636 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.417 0.896 -0.353 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.747 0.578 -3.316 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.438 1.152 -2.595 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.568 2.479 -2.238 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.018 1.403 -0.932 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.245 -1.232 -2.530 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.839 -1.003 -0.868 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.943 -1.590 -2.135 1.00 0.00 H new ATOM 949 N ASP A 66 -12.374 0.621 0.108 1.00 0.00 N ATOM 950 CA ASP A 66 -13.565 1.233 0.690 1.00 0.00 C ATOM 951 C ASP A 66 -13.230 2.620 1.243 1.00 0.00 C ATOM 952 O ASP A 66 -12.076 2.924 1.521 1.00 0.00 O ATOM 953 CB ASP A 66 -14.121 0.318 1.803 1.00 0.00 C ATOM 954 CG ASP A 66 -15.326 -0.489 1.303 1.00 0.00 C ATOM 955 OD1 ASP A 66 -16.143 0.075 0.594 1.00 0.00 O ATOM 956 OD2 ASP A 66 -15.402 -1.659 1.635 1.00 0.00 O ATOM 0 H ASP A 66 -11.760 0.162 0.781 1.00 0.00 H new ATOM 0 HA ASP A 66 -14.326 1.352 -0.081 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -13.340 -0.362 2.143 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -14.415 0.922 2.662 1.00 0.00 H new ATOM 961 N PRO A 67 -14.218 3.459 1.389 1.00 0.00 N ATOM 962 CA PRO A 67 -14.023 4.850 1.900 1.00 0.00 C ATOM 963 C PRO A 67 -13.494 4.882 3.333 1.00 0.00 C ATOM 964 O PRO A 67 -12.331 5.210 3.570 1.00 0.00 O ATOM 965 CB PRO A 67 -15.435 5.465 1.813 1.00 0.00 C ATOM 966 CG PRO A 67 -16.372 4.300 1.804 1.00 0.00 C ATOM 967 CD PRO A 67 -15.631 3.180 1.087 1.00 0.00 C ATOM 0 HA PRO A 67 -13.276 5.396 1.324 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -15.631 6.121 2.661 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -15.547 6.067 0.911 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -16.640 4.005 2.819 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -17.300 4.548 1.289 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -15.934 2.199 1.453 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -15.823 3.193 0.014 1.00 0.00 H new ATOM 975 N THR A 68 -14.358 4.549 4.281 1.00 0.00 N ATOM 976 CA THR A 68 -13.978 4.555 5.687 1.00 0.00 C ATOM 977 C THR A 68 -12.859 3.558 5.945 1.00 0.00 C ATOM 978 O THR A 68 -12.179 3.625 6.969 1.00 0.00 O ATOM 979 CB THR A 68 -15.189 4.206 6.556 1.00 0.00 C ATOM 980 OG1 THR A 68 -16.223 5.153 6.332 1.00 0.00 O ATOM 981 CG2 THR A 68 -14.781 4.233 8.028 1.00 0.00 C ATOM 0 H THR A 68 -15.324 4.272 4.104 1.00 0.00 H new ATOM 0 HA THR A 68 -13.623 5.553 5.943 1.00 0.00 H new ATOM 0 HB THR A 68 -15.549 3.210 6.296 1.00 0.00 H new ATOM 0 HG1 THR A 68 -16.999 4.928 6.887 1.00 0.00 H new ATOM 0 HG21 THR A 68 -15.642 3.985 8.649 1.00 0.00 H new ATOM 0 HG22 THR A 68 -13.988 3.505 8.199 1.00 0.00 H new ATOM 0 HG23 THR A 68 -14.421 5.229 8.288 1.00 0.00 H new ATOM 989 N LEU A 69 -12.671 2.639 5.011 1.00 0.00 N ATOM 990 CA LEU A 69 -11.624 1.635 5.145 1.00 0.00 C ATOM 991 C LEU A 69 -10.241 2.256 4.937 1.00 0.00 C ATOM 992 O LEU A 69 -9.301 1.972 5.671 1.00 0.00 O ATOM 993 CB LEU A 69 -11.851 0.518 4.127 1.00 0.00 C ATOM 994 CG LEU A 69 -10.820 -0.606 4.343 1.00 0.00 C ATOM 995 CD1 LEU A 69 -11.331 -1.891 3.683 1.00 0.00 C ATOM 996 CD2 LEU A 69 -9.436 -0.221 3.755 1.00 0.00 C ATOM 0 H LEU A 69 -13.225 2.566 4.157 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.665 1.224 6.154 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.861 0.121 4.229 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.764 0.913 3.115 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.695 -0.763 5.414 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.605 -2.690 3.833 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.283 -2.177 4.131 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.469 -1.721 2.615 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.730 -1.034 3.923 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.533 -0.040 2.684 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.072 0.683 4.244 1.00 0.00 H new ATOM 1008 N ILE A 70 -10.118 3.113 3.938 1.00 0.00 N ATOM 1009 CA ILE A 70 -8.836 3.751 3.660 1.00 0.00 C ATOM 1010 C ILE A 70 -8.302 4.446 4.908 1.00 0.00 C ATOM 1011 O ILE A 70 -7.100 4.426 5.176 1.00 0.00 O ATOM 1012 CB ILE A 70 -8.997 4.757 2.515 1.00 0.00 C ATOM 1013 CG1 ILE A 70 -9.184 4.002 1.188 1.00 0.00 C ATOM 1014 CG2 ILE A 70 -7.754 5.648 2.426 1.00 0.00 C ATOM 1015 CD1 ILE A 70 -9.813 4.933 0.146 1.00 0.00 C ATOM 0 H ILE A 70 -10.877 3.383 3.312 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.118 2.986 3.363 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.871 5.379 2.706 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.222 3.636 0.829 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -9.820 3.130 1.341 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.875 6.361 1.610 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.626 6.188 3.364 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.876 5.030 2.240 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.943 4.394 -0.792 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -10.783 5.278 0.504 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.161 5.791 -0.016 1.00 0.00 H new ATOM 1027 N TRP A 71 -9.197 5.061 5.665 1.00 0.00 N ATOM 1028 CA TRP A 71 -8.802 5.754 6.881 1.00 0.00 C ATOM 1029 C TRP A 71 -8.618 4.763 8.025 1.00 0.00 C ATOM 1030 O TRP A 71 -8.198 5.140 9.121 1.00 0.00 O ATOM 1031 CB TRP A 71 -9.859 6.795 7.255 1.00 0.00 C ATOM 1032 CG TRP A 71 -9.794 7.939 6.293 1.00 0.00 C ATOM 1033 CD1 TRP A 71 -10.717 8.210 5.342 1.00 0.00 C ATOM 1034 CD2 TRP A 71 -8.764 8.964 6.169 1.00 0.00 C ATOM 1035 NE1 TRP A 71 -10.322 9.339 4.646 1.00 0.00 N ATOM 1036 CE2 TRP A 71 -9.125 9.839 5.118 1.00 0.00 C ATOM 1037 CE3 TRP A 71 -7.563 9.219 6.860 1.00 0.00 C ATOM 1038 CZ2 TRP A 71 -8.323 10.928 4.763 1.00 0.00 C ATOM 1039 CZ3 TRP A 71 -6.757 10.313 6.507 1.00 0.00 C ATOM 1040 CH2 TRP A 71 -7.136 11.164 5.461 1.00 0.00 C ATOM 0 H TRP A 71 -10.196 5.095 5.461 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.852 6.257 6.702 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -10.851 6.345 7.235 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -9.691 7.151 8.272 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -11.615 7.639 5.156 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -10.851 9.752 3.878 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -7.260 8.568 7.667 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -8.619 11.582 3.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -5.839 10.500 7.045 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -6.510 12.003 5.194 1.00 0.00 H new ATOM 1051 N ASP A 72 -8.936 3.489 7.768 1.00 0.00 N ATOM 1052 CA ASP A 72 -8.799 2.448 8.791 1.00 0.00 C ATOM 1053 C ASP A 72 -7.418 1.809 8.712 1.00 0.00 C ATOM 1054 O ASP A 72 -6.828 1.446 9.731 1.00 0.00 O ATOM 1055 CB ASP A 72 -9.874 1.379 8.608 1.00 0.00 C ATOM 1056 CG ASP A 72 -11.247 1.991 8.868 1.00 0.00 C ATOM 1057 OD1 ASP A 72 -11.290 3.084 9.410 1.00 0.00 O ATOM 1058 OD2 ASP A 72 -12.231 1.363 8.521 1.00 0.00 O ATOM 0 H ASP A 72 -9.287 3.157 6.870 1.00 0.00 H new ATOM 0 HA ASP A 72 -8.922 2.909 9.771 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -9.830 0.973 7.597 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.698 0.549 9.293 1.00 0.00 H new ATOM 1063 N HIS A 73 -6.898 1.689 7.488 1.00 0.00 N ATOM 1064 CA HIS A 73 -5.571 1.106 7.266 1.00 0.00 C ATOM 1065 C HIS A 73 -4.653 2.110 6.561 1.00 0.00 C ATOM 1066 O HIS A 73 -4.092 1.818 5.506 1.00 0.00 O ATOM 1067 CB HIS A 73 -5.698 -0.157 6.410 1.00 0.00 C ATOM 1068 CG HIS A 73 -6.799 -1.022 6.954 1.00 0.00 C ATOM 1069 ND1 HIS A 73 -7.159 -1.008 8.292 1.00 0.00 N ATOM 1070 CD2 HIS A 73 -7.636 -1.924 6.349 1.00 0.00 C ATOM 1071 CE1 HIS A 73 -8.173 -1.879 8.447 1.00 0.00 C ATOM 1072 NE2 HIS A 73 -8.503 -2.464 7.293 1.00 0.00 N ATOM 0 H HIS A 73 -7.374 1.987 6.636 1.00 0.00 H new ATOM 0 HA HIS A 73 -5.138 0.852 8.233 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.910 0.112 5.375 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -4.756 -0.706 6.410 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -6.733 -0.441 9.025 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -7.624 -2.177 5.299 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -8.660 -2.080 9.390 1.00 0.00 H new ATOM 1081 N PRO A 74 -4.489 3.276 7.131 1.00 0.00 N ATOM 1082 CA PRO A 74 -3.619 4.346 6.560 1.00 0.00 C ATOM 1083 C PRO A 74 -2.140 4.009 6.687 1.00 0.00 C ATOM 1084 O PRO A 74 -1.279 4.789 6.277 1.00 0.00 O ATOM 1085 CB PRO A 74 -3.969 5.579 7.403 1.00 0.00 C ATOM 1086 CG PRO A 74 -4.431 5.030 8.711 1.00 0.00 C ATOM 1087 CD PRO A 74 -5.125 3.709 8.384 1.00 0.00 C ATOM 0 HA PRO A 74 -3.788 4.487 5.492 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -3.103 6.229 7.531 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.748 6.175 6.927 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.591 4.874 9.388 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -5.115 5.720 9.205 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.983 2.976 9.178 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.200 3.842 8.261 1.00 0.00 H new ATOM 1095 N THR A 75 -1.851 2.842 7.251 1.00 0.00 N ATOM 1096 CA THR A 75 -0.465 2.402 7.433 1.00 0.00 C ATOM 1097 C THR A 75 -0.180 1.157 6.603 1.00 0.00 C ATOM 1098 O THR A 75 -1.076 0.367 6.311 1.00 0.00 O ATOM 1099 CB THR A 75 -0.205 2.101 8.912 1.00 0.00 C ATOM 1100 OG1 THR A 75 -1.255 1.287 9.420 1.00 0.00 O ATOM 1101 CG2 THR A 75 -0.142 3.411 9.701 1.00 0.00 C ATOM 0 H THR A 75 -2.552 2.183 7.590 1.00 0.00 H new ATOM 0 HA THR A 75 0.196 3.203 7.100 1.00 0.00 H new ATOM 0 HB THR A 75 0.744 1.575 9.014 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.089 1.092 10.366 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.043 3.194 10.753 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.665 4.032 9.311 1.00 0.00 H new ATOM 0 HG23 THR A 75 -1.089 3.942 9.601 1.00 0.00 H new ATOM 1109 N ILE A 76 1.080 0.998 6.228 1.00 0.00 N ATOM 1110 CA ILE A 76 1.497 -0.143 5.428 1.00 0.00 C ATOM 1111 C ILE A 76 1.259 -1.433 6.197 1.00 0.00 C ATOM 1112 O ILE A 76 0.844 -2.435 5.625 1.00 0.00 O ATOM 1113 CB ILE A 76 2.984 -0.035 5.054 1.00 0.00 C ATOM 1114 CG1 ILE A 76 3.177 1.163 4.107 1.00 0.00 C ATOM 1115 CG2 ILE A 76 3.451 -1.325 4.347 1.00 0.00 C ATOM 1116 CD1 ILE A 76 4.614 1.199 3.562 1.00 0.00 C ATOM 0 H ILE A 76 1.832 1.645 6.465 1.00 0.00 H new ATOM 0 HA ILE A 76 0.906 -0.150 4.512 1.00 0.00 H new ATOM 0 HB ILE A 76 3.573 0.105 5.960 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.471 1.096 3.280 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.960 2.090 4.637 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.506 -1.236 4.087 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.312 -2.176 5.014 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.865 -1.475 3.440 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.729 2.053 2.895 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.316 1.289 4.391 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.818 0.280 3.013 1.00 0.00 H new ATOM 1128 N ASP A 77 1.556 -1.413 7.489 1.00 0.00 N ATOM 1129 CA ASP A 77 1.392 -2.606 8.309 1.00 0.00 C ATOM 1130 C ASP A 77 -0.011 -3.182 8.146 1.00 0.00 C ATOM 1131 O ASP A 77 -0.175 -4.376 7.873 1.00 0.00 O ATOM 1132 CB ASP A 77 1.622 -2.248 9.778 1.00 0.00 C ATOM 1133 CG ASP A 77 1.721 -3.518 10.616 1.00 0.00 C ATOM 1134 OD1 ASP A 77 2.647 -4.280 10.397 1.00 0.00 O ATOM 1135 OD2 ASP A 77 0.869 -3.707 11.470 1.00 0.00 O ATOM 0 H ASP A 77 1.907 -0.595 7.987 1.00 0.00 H new ATOM 0 HA ASP A 77 2.118 -3.353 7.987 1.00 0.00 H new ATOM 0 HB2 ASP A 77 2.537 -1.664 9.879 1.00 0.00 H new ATOM 0 HB3 ASP A 77 0.804 -1.626 10.141 1.00 0.00 H new ATOM 1140 N ALA A 78 -1.020 -2.335 8.302 1.00 0.00 N ATOM 1141 CA ALA A 78 -2.399 -2.778 8.162 1.00 0.00 C ATOM 1142 C ALA A 78 -2.699 -3.140 6.716 1.00 0.00 C ATOM 1143 O ALA A 78 -3.303 -4.175 6.437 1.00 0.00 O ATOM 1144 CB ALA A 78 -3.355 -1.673 8.628 1.00 0.00 C ATOM 0 H ALA A 78 -0.910 -1.345 8.524 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.542 -3.663 8.782 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.385 -2.013 8.520 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.158 -1.439 9.674 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.202 -0.780 8.022 1.00 0.00 H new ATOM 1150 N LEU A 79 -2.291 -2.274 5.800 1.00 0.00 N ATOM 1151 CA LEU A 79 -2.551 -2.515 4.389 1.00 0.00 C ATOM 1152 C LEU A 79 -1.890 -3.813 3.933 1.00 0.00 C ATOM 1153 O LEU A 79 -2.502 -4.622 3.237 1.00 0.00 O ATOM 1154 CB LEU A 79 -2.017 -1.336 3.556 1.00 0.00 C ATOM 1155 CG LEU A 79 -2.998 -0.988 2.419 1.00 0.00 C ATOM 1156 CD1 LEU A 79 -3.339 -2.249 1.592 1.00 0.00 C ATOM 1157 CD2 LEU A 79 -4.291 -0.376 3.016 1.00 0.00 C ATOM 0 H LEU A 79 -1.786 -1.411 6.004 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.627 -2.606 4.243 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.872 -0.467 4.197 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.043 -1.590 3.138 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.527 -0.261 1.758 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.033 -1.984 0.794 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.426 -2.658 1.159 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.799 -2.995 2.240 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.983 -0.131 2.210 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.757 -1.096 3.688 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.043 0.530 3.570 1.00 0.00 H new ATOM 1169 N SER A 80 -0.637 -3.996 4.324 1.00 0.00 N ATOM 1170 CA SER A 80 0.098 -5.189 3.938 1.00 0.00 C ATOM 1171 C SER A 80 -0.605 -6.429 4.460 1.00 0.00 C ATOM 1172 O SER A 80 -0.797 -7.395 3.725 1.00 0.00 O ATOM 1173 CB SER A 80 1.516 -5.122 4.501 1.00 0.00 C ATOM 1174 OG SER A 80 2.229 -6.289 4.112 1.00 0.00 O ATOM 0 H SER A 80 -0.113 -3.340 4.903 1.00 0.00 H new ATOM 0 HA SER A 80 0.143 -5.242 2.850 1.00 0.00 H new ATOM 0 HB2 SER A 80 2.025 -4.231 4.133 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.485 -5.045 5.588 1.00 0.00 H new ATOM 0 HG SER A 80 3.141 -6.250 4.470 1.00 0.00 H new ATOM 1180 N THR A 81 -0.989 -6.393 5.732 1.00 0.00 N ATOM 1181 CA THR A 81 -1.673 -7.527 6.342 1.00 0.00 C ATOM 1182 C THR A 81 -2.953 -7.846 5.567 1.00 0.00 C ATOM 1183 O THR A 81 -3.279 -9.010 5.314 1.00 0.00 O ATOM 1184 CB THR A 81 -2.021 -7.205 7.798 1.00 0.00 C ATOM 1185 OG1 THR A 81 -0.826 -6.944 8.521 1.00 0.00 O ATOM 1186 CG2 THR A 81 -2.749 -8.395 8.429 1.00 0.00 C ATOM 0 H THR A 81 -0.840 -5.599 6.355 1.00 0.00 H new ATOM 0 HA THR A 81 -1.012 -8.393 6.313 1.00 0.00 H new ATOM 0 HB THR A 81 -2.668 -6.328 7.831 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.525 -6.030 8.336 1.00 0.00 H new ATOM 0 HG21 THR A 81 -2.995 -8.163 9.465 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.665 -8.597 7.874 1.00 0.00 H new ATOM 0 HG23 THR A 81 -2.105 -9.274 8.397 1.00 0.00 H new ATOM 1194 N ALA A 82 -3.681 -6.810 5.195 1.00 0.00 N ATOM 1195 CA ALA A 82 -4.913 -7.004 4.453 1.00 0.00 C ATOM 1196 C ALA A 82 -4.621 -7.506 3.041 1.00 0.00 C ATOM 1197 O ALA A 82 -5.310 -8.397 2.529 1.00 0.00 O ATOM 1198 CB ALA A 82 -5.681 -5.684 4.367 1.00 0.00 C ATOM 0 H ALA A 82 -3.445 -5.837 5.391 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.513 -7.748 4.977 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.605 -5.836 3.809 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.918 -5.335 5.372 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.069 -4.939 3.859 1.00 0.00 H new ATOM 1204 N LEU A 83 -3.596 -6.938 2.403 1.00 0.00 N ATOM 1205 CA LEU A 83 -3.252 -7.329 1.043 1.00 0.00 C ATOM 1206 C LEU A 83 -2.857 -8.803 0.982 1.00 0.00 C ATOM 1207 O LEU A 83 -3.374 -9.559 0.160 1.00 0.00 O ATOM 1208 CB LEU A 83 -2.088 -6.451 0.535 1.00 0.00 C ATOM 1209 CG LEU A 83 -2.214 -6.232 -0.973 1.00 0.00 C ATOM 1210 CD1 LEU A 83 -1.010 -5.431 -1.472 1.00 0.00 C ATOM 1211 CD2 LEU A 83 -2.278 -7.589 -1.680 1.00 0.00 C ATOM 0 H LEU A 83 -2.999 -6.215 2.804 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.126 -7.185 0.407 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.094 -5.491 1.051 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.135 -6.929 0.762 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.125 -5.675 -1.191 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.098 -5.274 -2.547 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.980 -4.466 -0.965 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.093 -5.981 -1.260 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.368 -7.435 -2.755 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.369 -8.153 -1.469 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.143 -8.147 -1.320 1.00 0.00 H new ATOM 1223 N VAL A 84 -1.944 -9.204 1.854 1.00 0.00 N ATOM 1224 CA VAL A 84 -1.498 -10.588 1.878 1.00 0.00 C ATOM 1225 C VAL A 84 -2.676 -11.497 2.199 1.00 0.00 C ATOM 1226 O VAL A 84 -2.744 -12.633 1.727 1.00 0.00 O ATOM 1227 CB VAL A 84 -0.388 -10.771 2.916 1.00 0.00 C ATOM 1228 CG1 VAL A 84 -0.941 -10.521 4.313 1.00 0.00 C ATOM 1229 CG2 VAL A 84 0.177 -12.192 2.827 1.00 0.00 C ATOM 0 H VAL A 84 -1.502 -8.599 2.546 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.099 -10.852 0.899 1.00 0.00 H new ATOM 0 HB VAL A 84 0.410 -10.056 2.715 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.147 -10.653 5.048 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.327 -9.504 4.375 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.745 -11.228 4.518 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.967 -12.317 3.568 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.618 -12.912 3.019 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.585 -12.360 1.830 1.00 0.00 H new ATOM 1239 N ALA A 85 -3.608 -10.989 3.002 1.00 0.00 N ATOM 1240 CA ALA A 85 -4.782 -11.768 3.370 1.00 0.00 C ATOM 1241 C ALA A 85 -5.563 -12.155 2.123 1.00 0.00 C ATOM 1242 O ALA A 85 -6.116 -13.252 2.037 1.00 0.00 O ATOM 1243 CB ALA A 85 -5.678 -10.960 4.309 1.00 0.00 C ATOM 0 H ALA A 85 -3.573 -10.053 3.405 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.454 -12.673 3.882 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.552 -11.553 4.577 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.123 -10.704 5.211 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.999 -10.046 3.809 1.00 0.00 H new ATOM 1249 N GLU A 86 -5.598 -11.248 1.151 1.00 0.00 N ATOM 1250 CA GLU A 86 -6.309 -11.517 -0.099 1.00 0.00 C ATOM 1251 C GLU A 86 -5.769 -12.779 -0.763 1.00 0.00 C ATOM 1252 O GLU A 86 -6.432 -13.383 -1.608 1.00 0.00 O ATOM 1253 CB GLU A 86 -6.141 -10.345 -1.067 1.00 0.00 C ATOM 1254 CG GLU A 86 -6.698 -9.077 -0.432 1.00 0.00 C ATOM 1255 CD GLU A 86 -8.201 -9.219 -0.209 1.00 0.00 C ATOM 1256 OE1 GLU A 86 -8.892 -9.557 -1.157 1.00 0.00 O ATOM 1257 OE2 GLU A 86 -8.639 -8.994 0.908 1.00 0.00 O ATOM 0 H GLU A 86 -5.150 -10.333 1.200 1.00 0.00 H new ATOM 0 HA GLU A 86 -7.364 -11.653 0.139 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.087 -10.209 -1.311 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.661 -10.555 -2.002 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -6.198 -8.887 0.518 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.497 -8.220 -1.075 1.00 0.00 H new ATOM 1264 N LEU A 87 -4.555 -13.174 -0.381 1.00 0.00 N ATOM 1265 CA LEU A 87 -3.926 -14.367 -0.950 1.00 0.00 C ATOM 1266 C LEU A 87 -4.246 -15.599 -0.111 1.00 0.00 C ATOM 1267 O LEU A 87 -4.128 -16.733 -0.576 1.00 0.00 O ATOM 1268 CB LEU A 87 -2.402 -14.181 -1.021 1.00 0.00 C ATOM 1269 CG LEU A 87 -1.759 -15.358 -1.768 1.00 0.00 C ATOM 1270 CD1 LEU A 87 -2.269 -15.411 -3.221 1.00 0.00 C ATOM 1271 CD2 LEU A 87 -0.239 -15.181 -1.757 1.00 0.00 C ATOM 0 H LEU A 87 -3.990 -12.689 0.316 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.322 -14.511 -1.955 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.166 -13.246 -1.529 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.990 -14.110 -0.015 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.027 -16.292 -1.273 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.805 -16.250 -3.739 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.352 -15.538 -3.222 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.012 -14.483 -3.731 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.228 -16.012 -2.285 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.022 -14.245 -2.251 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.117 -15.160 -0.727 1.00 0.00 H new ATOM 1283 N ARG A 88 -4.665 -15.375 1.128 1.00 0.00 N ATOM 1284 CA ARG A 88 -5.002 -16.480 2.022 1.00 0.00 C ATOM 1285 C ARG A 88 -6.489 -16.806 1.947 1.00 0.00 C ATOM 1286 O ARG A 88 -6.998 -17.604 2.733 1.00 0.00 O ATOM 1287 CB ARG A 88 -4.630 -16.113 3.458 1.00 0.00 C ATOM 1288 CG ARG A 88 -3.111 -15.949 3.565 1.00 0.00 C ATOM 1289 CD ARG A 88 -2.720 -15.762 5.032 1.00 0.00 C ATOM 1290 NE ARG A 88 -3.270 -14.515 5.548 1.00 0.00 N ATOM 1291 CZ ARG A 88 -3.298 -14.265 6.852 1.00 0.00 C ATOM 1292 NH1 ARG A 88 -2.826 -15.142 7.696 1.00 0.00 N ATOM 1293 NH2 ARG A 88 -3.798 -13.142 7.291 1.00 0.00 N ATOM 0 H ARG A 88 -4.780 -14.447 1.536 1.00 0.00 H new ATOM 0 HA ARG A 88 -4.439 -17.359 1.709 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -5.128 -15.188 3.749 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -4.972 -16.888 4.143 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -2.610 -16.825 3.153 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.785 -15.090 2.978 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.087 -16.601 5.623 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -1.634 -15.756 5.128 1.00 0.00 H new ATOM 0 HE ARG A 88 -3.640 -13.823 4.897 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -2.435 -16.020 7.354 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -2.848 -14.949 8.697 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -4.167 -12.456 6.632 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -3.819 -12.950 8.293 1.00 0.00 H new ATOM 1307 N SER A 89 -7.179 -16.188 0.993 1.00 0.00 N ATOM 1308 CA SER A 89 -8.608 -16.426 0.823 1.00 0.00 C ATOM 1309 C SER A 89 -9.050 -16.052 -0.588 1.00 0.00 C ATOM 1310 O SER A 89 -8.402 -15.248 -1.260 1.00 0.00 O ATOM 1311 CB SER A 89 -9.396 -15.605 1.842 1.00 0.00 C ATOM 1312 OG SER A 89 -9.162 -16.128 3.144 1.00 0.00 O ATOM 0 H SER A 89 -6.776 -15.524 0.331 1.00 0.00 H new ATOM 0 HA SER A 89 -8.803 -17.487 0.982 1.00 0.00 H new ATOM 0 HB2 SER A 89 -9.093 -14.559 1.797 1.00 0.00 H new ATOM 0 HB3 SER A 89 -10.460 -15.639 1.609 1.00 0.00 H new ATOM 0 HG SER A 89 -8.652 -16.962 3.075 1.00 0.00 H new ATOM 1318 N ALA A 90 -10.157 -16.638 -1.032 1.00 0.00 N ATOM 1319 CA ALA A 90 -10.678 -16.356 -2.365 1.00 0.00 C ATOM 1320 C ALA A 90 -12.087 -16.916 -2.518 1.00 0.00 C ATOM 1321 O ALA A 90 -12.330 -18.001 -2.017 1.00 0.00 O ATOM 1322 CB ALA A 90 -9.762 -16.972 -3.425 1.00 0.00 C ATOM 1323 OXT ALA A 90 -12.904 -16.252 -3.136 1.00 0.00 O ATOM 0 H ALA A 90 -10.707 -17.306 -0.493 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.713 -15.275 -2.501 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.158 -16.757 -4.417 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.762 -16.547 -3.333 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.712 -18.051 -3.280 1.00 0.00 H new TER 1329 ALA A 90