USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=20 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 152:sc= -8.29! USER MOD Set 1.2: A 26 HIS : no HD1:sc= -8.63! C(o=-17!,f=-25!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -120:sc= -0.34! USER MOD Single : A 8 THR OG1 : rot -55:sc= 0.941 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -59:sc= -4.33! USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.55 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.182 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0197 USER MOD Single : A 42 SER OG : rot 72:sc= -0.554 USER MOD Single : A 43 TYR OH : rot 180:sc= -0.758 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= -0.0809 X(o=-0.081,f=-0.28) 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 HD1:sc= -0.885 K(o=-0.88,f=-2.7!) USER MOD Single : A 75 THR OG1 : rot 180:sc=0.000219 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 78:sc= 1.28 USER MOD Single : A 89 SER OG : rot 180:sc= -0.229 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.681 -16.117 -7.707 1.00 0.00 N ATOM 2 CA GLY A 1 17.674 -17.561 -7.339 1.00 0.00 C ATOM 3 C GLY A 1 16.236 -18.045 -7.207 1.00 0.00 C ATOM 4 O GLY A 1 15.670 -18.602 -8.148 1.00 0.00 O ATOM 0 H1 GLY A 1 18.663 -15.786 -7.797 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.187 -15.987 -8.613 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.197 -15.568 -6.968 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.197 -18.143 -8.098 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.207 -17.710 -6.400 1.00 0.00 H new ATOM 10 N HIS A 2 15.645 -17.829 -6.033 1.00 0.00 N ATOM 11 CA HIS A 2 14.265 -18.248 -5.782 1.00 0.00 C ATOM 12 C HIS A 2 13.328 -17.045 -5.824 1.00 0.00 C ATOM 13 O HIS A 2 13.668 -15.964 -5.342 1.00 0.00 O ATOM 14 CB HIS A 2 14.168 -18.924 -4.415 1.00 0.00 C ATOM 15 CG HIS A 2 15.002 -20.178 -4.417 1.00 0.00 C ATOM 16 ND1 HIS A 2 14.600 -21.333 -5.070 1.00 0.00 N ATOM 17 CD2 HIS A 2 16.218 -20.472 -3.850 1.00 0.00 C ATOM 18 CE1 HIS A 2 15.558 -22.260 -4.882 1.00 0.00 C ATOM 19 NE2 HIS A 2 16.566 -21.787 -4.145 1.00 0.00 N ATOM 0 H HIS A 2 16.097 -17.368 -5.243 1.00 0.00 H new ATOM 0 HA HIS A 2 13.969 -18.954 -6.558 1.00 0.00 H new ATOM 0 HB2 HIS A 2 14.514 -18.245 -3.636 1.00 0.00 H new ATOM 0 HB3 HIS A 2 13.129 -19.165 -4.189 1.00 0.00 H new ATOM 0 HD2 HIS A 2 16.813 -19.787 -3.264 1.00 0.00 H new ATOM 0 HE1 HIS A 2 15.516 -23.264 -5.279 1.00 0.00 H new ATOM 0 HE2 HIS A 2 17.410 -22.283 -3.859 1.00 0.00 H new ATOM 28 N MET A 3 12.150 -17.241 -6.404 1.00 0.00 N ATOM 29 CA MET A 3 11.173 -16.165 -6.507 1.00 0.00 C ATOM 30 C MET A 3 10.499 -15.926 -5.161 1.00 0.00 C ATOM 31 O MET A 3 10.046 -16.865 -4.507 1.00 0.00 O ATOM 32 CB MET A 3 10.112 -16.519 -7.553 1.00 0.00 C ATOM 33 CG MET A 3 10.748 -16.526 -8.943 1.00 0.00 C ATOM 34 SD MET A 3 9.492 -16.944 -10.178 1.00 0.00 S ATOM 35 CE MET A 3 10.618 -17.179 -11.575 1.00 0.00 C ATOM 0 H MET A 3 11.850 -18.128 -6.807 1.00 0.00 H new ATOM 0 HA MET A 3 11.693 -15.256 -6.810 1.00 0.00 H new ATOM 0 HB2 MET A 3 9.682 -17.496 -7.334 1.00 0.00 H new ATOM 0 HB3 MET A 3 9.297 -15.796 -7.518 1.00 0.00 H new ATOM 0 HG2 MET A 3 11.179 -15.549 -9.163 1.00 0.00 H new ATOM 0 HG3 MET A 3 11.563 -17.249 -8.978 1.00 0.00 H new ATOM 0 HE1 MET A 3 10.045 -17.449 -12.462 1.00 0.00 H new ATOM 0 HE2 MET A 3 11.164 -16.254 -11.762 1.00 0.00 H new ATOM 0 HE3 MET A 3 11.324 -17.976 -11.343 1.00 0.00 H new ATOM 45 N SER A 4 10.437 -14.662 -4.752 1.00 0.00 N ATOM 46 CA SER A 4 9.816 -14.310 -3.482 1.00 0.00 C ATOM 47 C SER A 4 9.758 -12.796 -3.317 1.00 0.00 C ATOM 48 O SER A 4 9.838 -12.283 -2.200 1.00 0.00 O ATOM 49 CB SER A 4 10.609 -14.919 -2.325 1.00 0.00 C ATOM 50 OG SER A 4 11.968 -14.513 -2.424 1.00 0.00 O ATOM 0 H SER A 4 10.807 -13.870 -5.278 1.00 0.00 H new ATOM 0 HA SER A 4 8.800 -14.706 -3.474 1.00 0.00 H new ATOM 0 HB2 SER A 4 10.189 -14.597 -1.372 1.00 0.00 H new ATOM 0 HB3 SER A 4 10.539 -16.006 -2.353 1.00 0.00 H new ATOM 0 HG SER A 4 12.480 -14.900 -1.683 1.00 0.00 H new ATOM 56 N ASP A 5 9.621 -12.086 -4.431 1.00 0.00 N ATOM 57 CA ASP A 5 9.558 -10.630 -4.394 1.00 0.00 C ATOM 58 C ASP A 5 8.771 -10.100 -5.580 1.00 0.00 C ATOM 59 O ASP A 5 9.357 -9.592 -6.535 1.00 0.00 O ATOM 60 CB ASP A 5 10.969 -10.043 -4.428 1.00 0.00 C ATOM 61 CG ASP A 5 10.925 -8.560 -4.068 1.00 0.00 C ATOM 62 OD1 ASP A 5 10.401 -8.244 -3.013 1.00 0.00 O ATOM 63 OD2 ASP A 5 11.417 -7.765 -4.852 1.00 0.00 O ATOM 0 H ASP A 5 9.552 -12.491 -5.364 1.00 0.00 H new ATOM 0 HA ASP A 5 9.059 -10.334 -3.471 1.00 0.00 H new ATOM 0 HB2 ASP A 5 11.611 -10.577 -3.728 1.00 0.00 H new ATOM 0 HB3 ASP A 5 11.402 -10.172 -5.420 1.00 0.00 H new ATOM 68 N LEU A 6 7.447 -10.231 -5.516 1.00 0.00 N ATOM 69 CA LEU A 6 6.573 -9.769 -6.581 1.00 0.00 C ATOM 70 C LEU A 6 6.866 -10.517 -7.861 1.00 0.00 C ATOM 71 O LEU A 6 7.828 -10.190 -8.550 1.00 0.00 O ATOM 72 CB LEU A 6 6.750 -8.255 -6.795 1.00 0.00 C ATOM 73 CG LEU A 6 6.024 -7.815 -8.067 1.00 0.00 C ATOM 74 CD1 LEU A 6 4.578 -8.311 -8.027 1.00 0.00 C ATOM 75 CD2 LEU A 6 6.050 -6.293 -8.146 1.00 0.00 C ATOM 0 H LEU A 6 6.958 -10.657 -4.729 1.00 0.00 H new ATOM 0 HA LEU A 6 5.540 -9.963 -6.294 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.358 -7.710 -5.936 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.810 -8.012 -6.869 1.00 0.00 H new ATOM 0 HG LEU A 6 6.517 -8.235 -8.943 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.061 -7.997 -8.934 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.568 -9.399 -7.962 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.073 -7.891 -7.157 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.535 -5.967 -9.050 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.550 -5.875 -7.272 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.084 -5.948 -8.173 1.00 0.00 H new ATOM 87 N SER A 7 6.035 -11.516 -8.183 1.00 0.00 N ATOM 88 CA SER A 7 6.221 -12.305 -9.388 1.00 0.00 C ATOM 89 C SER A 7 5.110 -13.343 -9.489 1.00 0.00 C ATOM 90 O SER A 7 3.930 -13.003 -9.441 1.00 0.00 O ATOM 91 CB SER A 7 7.573 -13.004 -9.342 1.00 0.00 C ATOM 92 OG SER A 7 7.503 -14.103 -8.449 1.00 0.00 O ATOM 0 H SER A 7 5.230 -11.790 -7.620 1.00 0.00 H new ATOM 0 HA SER A 7 6.187 -11.650 -10.259 1.00 0.00 H new ATOM 0 HB2 SER A 7 7.852 -13.348 -10.338 1.00 0.00 H new ATOM 0 HB3 SER A 7 8.345 -12.306 -9.018 1.00 0.00 H new ATOM 0 HG SER A 7 8.156 -13.981 -7.728 1.00 0.00 H new ATOM 98 N THR A 8 5.492 -14.613 -9.603 1.00 0.00 N ATOM 99 CA THR A 8 4.527 -15.698 -9.676 1.00 0.00 C ATOM 100 C THR A 8 4.244 -16.206 -8.298 1.00 0.00 C ATOM 101 O THR A 8 4.105 -17.405 -8.091 1.00 0.00 O ATOM 102 CB THR A 8 5.099 -16.832 -10.485 1.00 0.00 C ATOM 103 OG1 THR A 8 4.126 -17.855 -10.631 1.00 0.00 O ATOM 104 CG2 THR A 8 6.360 -17.407 -9.814 1.00 0.00 C ATOM 0 H THR A 8 6.466 -14.912 -9.647 1.00 0.00 H new ATOM 0 HA THR A 8 3.613 -15.327 -10.141 1.00 0.00 H new ATOM 0 HB THR A 8 5.377 -16.447 -11.466 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.809 -18.133 -9.747 1.00 0.00 H new ATOM 0 HG21 THR A 8 6.753 -18.224 -10.418 1.00 0.00 H new ATOM 0 HG22 THR A 8 7.114 -16.625 -9.726 1.00 0.00 H new ATOM 0 HG23 THR A 8 6.106 -17.779 -8.821 1.00 0.00 H new ATOM 112 N ALA A 9 4.133 -15.269 -7.375 1.00 0.00 N ATOM 113 CA ALA A 9 3.839 -15.592 -5.969 1.00 0.00 C ATOM 114 C ALA A 9 4.315 -14.479 -5.033 1.00 0.00 C ATOM 115 O ALA A 9 5.198 -14.687 -4.198 1.00 0.00 O ATOM 116 CB ALA A 9 4.525 -16.909 -5.595 1.00 0.00 C ATOM 0 H ALA A 9 4.240 -14.272 -7.563 1.00 0.00 H new ATOM 0 HA ALA A 9 2.759 -15.690 -5.857 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.308 -17.149 -4.554 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.154 -17.708 -6.237 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.602 -16.809 -5.727 1.00 0.00 H new ATOM 122 N PRO A 10 3.743 -13.317 -5.148 1.00 0.00 N ATOM 123 CA PRO A 10 4.116 -12.153 -4.287 1.00 0.00 C ATOM 124 C PRO A 10 4.025 -12.491 -2.798 1.00 0.00 C ATOM 125 O PRO A 10 2.935 -12.641 -2.251 1.00 0.00 O ATOM 126 CB PRO A 10 3.101 -11.060 -4.676 1.00 0.00 C ATOM 127 CG PRO A 10 2.602 -11.455 -6.038 1.00 0.00 C ATOM 128 CD PRO A 10 2.679 -12.984 -6.110 1.00 0.00 C ATOM 0 HA PRO A 10 5.149 -11.843 -4.442 1.00 0.00 H new ATOM 0 HB2 PRO A 10 2.284 -11.007 -3.957 1.00 0.00 H new ATOM 0 HB3 PRO A 10 3.570 -10.076 -4.698 1.00 0.00 H new ATOM 0 HG2 PRO A 10 1.579 -11.112 -6.190 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.210 -11.000 -6.820 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.731 -13.447 -5.837 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.924 -13.327 -7.115 1.00 0.00 H new ATOM 136 N THR A 11 5.181 -12.601 -2.148 1.00 0.00 N ATOM 137 CA THR A 11 5.221 -12.914 -0.721 1.00 0.00 C ATOM 138 C THR A 11 5.018 -11.651 0.100 1.00 0.00 C ATOM 139 O THR A 11 5.142 -10.555 -0.421 1.00 0.00 O ATOM 140 CB THR A 11 6.560 -13.551 -0.361 1.00 0.00 C ATOM 141 OG1 THR A 11 6.738 -14.728 -1.134 1.00 0.00 O ATOM 142 CG2 THR A 11 6.580 -13.905 1.127 1.00 0.00 C ATOM 0 H THR A 11 6.096 -12.479 -2.582 1.00 0.00 H new ATOM 0 HA THR A 11 4.419 -13.617 -0.497 1.00 0.00 H new ATOM 0 HB THR A 11 7.367 -12.849 -0.571 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.598 -15.141 -0.908 1.00 0.00 H new ATOM 0 HG21 THR A 11 7.538 -14.360 1.380 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.440 -13.000 1.718 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.776 -14.608 1.345 1.00 0.00 H new ATOM 150 N LEU A 12 4.726 -11.811 1.384 1.00 0.00 N ATOM 151 CA LEU A 12 4.513 -10.664 2.268 1.00 0.00 C ATOM 152 C LEU A 12 5.534 -9.562 1.998 1.00 0.00 C ATOM 153 O LEU A 12 5.242 -8.370 2.152 1.00 0.00 O ATOM 154 CB LEU A 12 4.632 -11.120 3.724 1.00 0.00 C ATOM 155 CG LEU A 12 3.378 -11.953 4.121 1.00 0.00 C ATOM 156 CD1 LEU A 12 3.804 -13.262 4.796 1.00 0.00 C ATOM 157 CD2 LEU A 12 2.502 -11.150 5.094 1.00 0.00 C ATOM 0 H LEU A 12 4.631 -12.719 1.839 1.00 0.00 H new ATOM 0 HA LEU A 12 3.518 -10.263 2.078 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.534 -11.719 3.854 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.727 -10.254 4.379 1.00 0.00 H new ATOM 0 HG LEU A 12 2.812 -12.178 3.217 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.918 -13.836 5.069 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.415 -13.845 4.107 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.382 -13.038 5.693 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.627 -11.740 5.367 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.075 -10.915 5.991 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.181 -10.225 4.616 1.00 0.00 H new ATOM 169 N ASP A 13 6.728 -9.976 1.603 1.00 0.00 N ATOM 170 CA ASP A 13 7.791 -9.026 1.316 1.00 0.00 C ATOM 171 C ASP A 13 7.535 -8.320 -0.004 1.00 0.00 C ATOM 172 O ASP A 13 7.913 -7.168 -0.170 1.00 0.00 O ATOM 173 CB ASP A 13 9.141 -9.728 1.261 1.00 0.00 C ATOM 174 CG ASP A 13 9.249 -10.730 2.410 1.00 0.00 C ATOM 175 OD1 ASP A 13 8.763 -10.422 3.487 1.00 0.00 O ATOM 176 OD2 ASP A 13 9.806 -11.795 2.196 1.00 0.00 O ATOM 0 H ASP A 13 6.984 -10.955 1.475 1.00 0.00 H new ATOM 0 HA ASP A 13 7.806 -8.289 2.119 1.00 0.00 H new ATOM 0 HB2 ASP A 13 9.256 -10.241 0.306 1.00 0.00 H new ATOM 0 HB3 ASP A 13 9.945 -8.996 1.328 1.00 0.00 H new ATOM 181 N SER A 14 6.893 -9.020 -0.941 1.00 0.00 N ATOM 182 CA SER A 14 6.598 -8.442 -2.244 1.00 0.00 C ATOM 183 C SER A 14 5.619 -7.284 -2.101 1.00 0.00 C ATOM 184 O SER A 14 5.730 -6.260 -2.785 1.00 0.00 O ATOM 185 CB SER A 14 6.027 -9.508 -3.157 1.00 0.00 C ATOM 186 OG SER A 14 4.790 -9.976 -2.649 1.00 0.00 O ATOM 0 H SER A 14 6.571 -9.980 -0.819 1.00 0.00 H new ATOM 0 HA SER A 14 7.520 -8.058 -2.680 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.887 -9.102 -4.159 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.730 -10.337 -3.244 1.00 0.00 H new ATOM 0 HG SER A 14 4.925 -10.350 -1.753 1.00 0.00 H new ATOM 192 N LEU A 15 4.640 -7.450 -1.235 1.00 0.00 N ATOM 193 CA LEU A 15 3.658 -6.407 -1.034 1.00 0.00 C ATOM 194 C LEU A 15 4.272 -5.296 -0.224 1.00 0.00 C ATOM 195 O LEU A 15 4.445 -4.186 -0.714 1.00 0.00 O ATOM 196 CB LEU A 15 2.424 -6.961 -0.318 1.00 0.00 C ATOM 197 CG LEU A 15 1.927 -8.254 -1.025 1.00 0.00 C ATOM 198 CD1 LEU A 15 2.146 -8.194 -2.562 1.00 0.00 C ATOM 199 CD2 LEU A 15 2.651 -9.483 -0.427 1.00 0.00 C ATOM 0 H LEU A 15 4.505 -8.286 -0.666 1.00 0.00 H new ATOM 0 HA LEU A 15 3.344 -6.021 -2.004 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.665 -7.177 0.723 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.631 -6.213 -0.313 1.00 0.00 H new ATOM 0 HG LEU A 15 0.854 -8.341 -0.854 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.785 -9.116 -3.017 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.598 -7.347 -2.975 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.209 -8.076 -2.774 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.302 -10.388 -0.923 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.726 -9.380 -0.575 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.436 -9.548 0.640 1.00 0.00 H new ATOM 211 N ARG A 16 4.601 -5.597 1.014 1.00 0.00 N ATOM 212 CA ARG A 16 5.182 -4.586 1.884 1.00 0.00 C ATOM 213 C ARG A 16 6.095 -3.650 1.087 1.00 0.00 C ATOM 214 O ARG A 16 5.938 -2.424 1.136 1.00 0.00 O ATOM 215 CB ARG A 16 5.998 -5.276 2.967 1.00 0.00 C ATOM 216 CG ARG A 16 6.715 -4.224 3.849 1.00 0.00 C ATOM 217 CD ARG A 16 8.182 -4.074 3.420 1.00 0.00 C ATOM 218 NE ARG A 16 8.875 -3.174 4.328 1.00 0.00 N ATOM 219 CZ ARG A 16 9.325 -3.600 5.499 1.00 0.00 C ATOM 220 NH1 ARG A 16 9.145 -4.840 5.857 1.00 0.00 N ATOM 221 NH2 ARG A 16 9.948 -2.774 6.291 1.00 0.00 N ATOM 0 H ARG A 16 4.481 -6.516 1.439 1.00 0.00 H new ATOM 0 HA ARG A 16 4.379 -3.998 2.329 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.347 -5.895 3.584 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.732 -5.940 2.511 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.206 -3.264 3.767 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.665 -4.523 4.896 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.670 -5.048 3.417 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.234 -3.688 2.402 1.00 0.00 H new ATOM 0 HE ARG A 16 9.017 -2.200 4.059 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.657 -5.485 5.235 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.492 -5.166 6.759 1.00 0.00 H new ATOM 0 HH21 ARG A 16 10.087 -1.804 6.009 1.00 0.00 H new ATOM 0 HH22 ARG A 16 10.296 -3.097 7.194 1.00 0.00 H new ATOM 235 N VAL A 17 7.034 -4.234 0.340 1.00 0.00 N ATOM 236 CA VAL A 17 7.960 -3.443 -0.473 1.00 0.00 C ATOM 237 C VAL A 17 7.188 -2.628 -1.506 1.00 0.00 C ATOM 238 O VAL A 17 7.531 -1.484 -1.790 1.00 0.00 O ATOM 239 CB VAL A 17 8.953 -4.373 -1.185 1.00 0.00 C ATOM 240 CG1 VAL A 17 9.724 -5.215 -0.142 1.00 0.00 C ATOM 241 CG2 VAL A 17 8.173 -5.295 -2.110 1.00 0.00 C ATOM 0 H VAL A 17 7.173 -5.243 0.281 1.00 0.00 H new ATOM 0 HA VAL A 17 8.507 -2.762 0.179 1.00 0.00 H new ATOM 0 HB VAL A 17 9.668 -3.783 -1.759 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.427 -5.873 -0.653 1.00 0.00 H new ATOM 0 HG12 VAL A 17 10.270 -4.552 0.529 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.019 -5.815 0.434 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.863 -5.963 -2.625 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.466 -5.884 -1.525 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.630 -4.700 -2.844 1.00 0.00 H new ATOM 251 N TRP A 18 6.143 -3.222 -2.075 1.00 0.00 N ATOM 252 CA TRP A 18 5.345 -2.513 -3.067 1.00 0.00 C ATOM 253 C TRP A 18 4.731 -1.245 -2.465 1.00 0.00 C ATOM 254 O TRP A 18 4.858 -0.162 -3.019 1.00 0.00 O ATOM 255 CB TRP A 18 4.220 -3.446 -3.593 1.00 0.00 C ATOM 256 CG TRP A 18 2.860 -2.928 -3.181 1.00 0.00 C ATOM 257 CD1 TRP A 18 2.139 -3.344 -2.103 1.00 0.00 C ATOM 258 CD2 TRP A 18 2.070 -1.874 -3.795 1.00 0.00 C ATOM 259 NE1 TRP A 18 0.982 -2.629 -2.032 1.00 0.00 N ATOM 260 CE2 TRP A 18 0.886 -1.714 -3.042 1.00 0.00 C ATOM 261 CE3 TRP A 18 2.252 -1.051 -4.920 1.00 0.00 C ATOM 262 CZ2 TRP A 18 -0.070 -0.784 -3.380 1.00 0.00 C ATOM 263 CZ3 TRP A 18 1.283 -0.110 -5.265 1.00 0.00 C ATOM 264 CH2 TRP A 18 0.123 0.021 -4.489 1.00 0.00 C ATOM 0 H TRP A 18 5.834 -4.173 -1.871 1.00 0.00 H new ATOM 0 HA TRP A 18 5.994 -2.221 -3.893 1.00 0.00 H new ATOM 0 HB2 TRP A 18 4.275 -3.514 -4.680 1.00 0.00 H new ATOM 0 HB3 TRP A 18 4.364 -4.454 -3.203 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.438 -4.119 -1.413 1.00 0.00 H new ATOM 0 HE1 TRP A 18 0.272 -2.761 -1.311 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.145 -1.148 -5.519 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.965 -0.683 -2.784 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.426 0.519 -6.131 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -0.624 0.754 -4.758 1.00 0.00 H new ATOM 275 N LEU A 19 4.053 -1.401 -1.339 1.00 0.00 N ATOM 276 CA LEU A 19 3.397 -0.272 -0.698 1.00 0.00 C ATOM 277 C LEU A 19 4.379 0.848 -0.437 1.00 0.00 C ATOM 278 O LEU A 19 4.206 1.957 -0.937 1.00 0.00 O ATOM 279 CB LEU A 19 2.768 -0.740 0.631 1.00 0.00 C ATOM 280 CG LEU A 19 1.221 -0.864 0.514 1.00 0.00 C ATOM 281 CD1 LEU A 19 0.753 -2.152 1.171 1.00 0.00 C ATOM 282 CD2 LEU A 19 0.551 0.345 1.183 1.00 0.00 C ATOM 0 H LEU A 19 3.943 -2.291 -0.853 1.00 0.00 H new ATOM 0 HA LEU A 19 2.621 0.108 -1.363 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.191 -1.703 0.916 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.019 -0.034 1.423 1.00 0.00 H new ATOM 0 HG LEU A 19 0.942 -0.886 -0.539 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.331 -2.231 1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.220 -3.003 0.676 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.034 -2.146 2.224 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.532 0.254 1.099 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.831 0.380 2.236 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.877 1.261 0.690 1.00 0.00 H new ATOM 294 N VAL A 20 5.402 0.563 0.349 1.00 0.00 N ATOM 295 CA VAL A 20 6.381 1.585 0.669 1.00 0.00 C ATOM 296 C VAL A 20 7.023 2.124 -0.600 1.00 0.00 C ATOM 297 O VAL A 20 7.105 3.336 -0.796 1.00 0.00 O ATOM 298 CB VAL A 20 7.457 0.986 1.580 1.00 0.00 C ATOM 299 CG1 VAL A 20 8.119 -0.209 0.884 1.00 0.00 C ATOM 300 CG2 VAL A 20 8.508 2.045 1.888 1.00 0.00 C ATOM 0 H VAL A 20 5.575 -0.350 0.770 1.00 0.00 H new ATOM 0 HA VAL A 20 5.881 2.408 1.180 1.00 0.00 H new ATOM 0 HB VAL A 20 6.997 0.649 2.509 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.884 -0.632 1.536 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.366 -0.967 0.668 1.00 0.00 H new ATOM 0 HG13 VAL A 20 8.578 0.121 -0.048 1.00 0.00 H new ATOM 0 HG21 VAL A 20 9.274 1.620 2.536 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.966 2.384 0.959 1.00 0.00 H new ATOM 0 HG23 VAL A 20 8.037 2.890 2.390 1.00 0.00 H new ATOM 310 N ASP A 21 7.487 1.222 -1.455 1.00 0.00 N ATOM 311 CA ASP A 21 8.137 1.634 -2.690 1.00 0.00 C ATOM 312 C ASP A 21 7.181 2.459 -3.546 1.00 0.00 C ATOM 313 O ASP A 21 7.594 3.398 -4.233 1.00 0.00 O ATOM 314 CB ASP A 21 8.589 0.399 -3.475 1.00 0.00 C ATOM 315 CG ASP A 21 9.302 0.819 -4.754 1.00 0.00 C ATOM 316 OD1 ASP A 21 9.627 1.989 -4.871 1.00 0.00 O ATOM 317 OD2 ASP A 21 9.511 -0.036 -5.599 1.00 0.00 O ATOM 0 H ASP A 21 7.426 0.213 -1.318 1.00 0.00 H new ATOM 0 HA ASP A 21 9.004 2.245 -2.439 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.255 -0.207 -2.861 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.727 -0.222 -3.718 1.00 0.00 H new ATOM 322 N CYS A 22 5.904 2.102 -3.498 1.00 0.00 N ATOM 323 CA CYS A 22 4.896 2.814 -4.272 1.00 0.00 C ATOM 324 C CYS A 22 4.819 4.271 -3.835 1.00 0.00 C ATOM 325 O CYS A 22 4.867 5.182 -4.663 1.00 0.00 O ATOM 326 CB CYS A 22 3.529 2.159 -4.095 1.00 0.00 C ATOM 327 SG CYS A 22 2.340 2.968 -5.180 1.00 0.00 S ATOM 0 H CYS A 22 5.544 1.330 -2.936 1.00 0.00 H new ATOM 0 HA CYS A 22 5.182 2.771 -5.323 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.589 1.096 -4.329 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.206 2.239 -3.057 1.00 0.00 H new ATOM 0 HG CYS A 22 1.404 2.126 -5.503 1.00 0.00 H new ATOM 333 N VAL A 23 4.694 4.491 -2.531 1.00 0.00 N ATOM 334 CA VAL A 23 4.607 5.851 -2.013 1.00 0.00 C ATOM 335 C VAL A 23 5.878 6.623 -2.362 1.00 0.00 C ATOM 336 O VAL A 23 5.809 7.767 -2.814 1.00 0.00 O ATOM 337 CB VAL A 23 4.431 5.820 -0.495 1.00 0.00 C ATOM 338 CG1 VAL A 23 4.294 7.253 0.074 1.00 0.00 C ATOM 339 CG2 VAL A 23 3.179 5.013 -0.131 1.00 0.00 C ATOM 0 H VAL A 23 4.651 3.758 -1.823 1.00 0.00 H new ATOM 0 HA VAL A 23 3.748 6.346 -2.466 1.00 0.00 H new ATOM 0 HB VAL A 23 5.314 5.351 -0.061 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.170 7.205 1.156 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.190 7.826 -0.163 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.425 7.739 -0.370 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.060 4.995 0.952 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.303 5.476 -0.585 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.283 3.993 -0.501 1.00 0.00 H new ATOM 349 N ALA A 24 7.036 6.002 -2.142 1.00 0.00 N ATOM 350 CA ALA A 24 8.303 6.659 -2.436 1.00 0.00 C ATOM 351 C ALA A 24 8.292 7.209 -3.852 1.00 0.00 C ATOM 352 O ALA A 24 8.617 8.368 -4.074 1.00 0.00 O ATOM 353 CB ALA A 24 9.448 5.661 -2.283 1.00 0.00 C ATOM 0 H ALA A 24 7.121 5.058 -1.766 1.00 0.00 H new ATOM 0 HA ALA A 24 8.444 7.483 -1.737 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.394 6.156 -2.504 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.466 5.282 -1.261 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.302 4.831 -2.975 1.00 0.00 H new ATOM 359 N GLY A 25 7.924 6.367 -4.806 1.00 0.00 N ATOM 360 CA GLY A 25 7.879 6.795 -6.200 1.00 0.00 C ATOM 361 C GLY A 25 6.869 7.924 -6.393 1.00 0.00 C ATOM 362 O GLY A 25 7.143 8.905 -7.087 1.00 0.00 O ATOM 0 H GLY A 25 7.655 5.396 -4.646 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.868 7.129 -6.514 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.612 5.950 -6.835 1.00 0.00 H new ATOM 366 N HIS A 26 5.699 7.780 -5.779 1.00 0.00 N ATOM 367 CA HIS A 26 4.660 8.794 -5.904 1.00 0.00 C ATOM 368 C HIS A 26 5.166 10.155 -5.444 1.00 0.00 C ATOM 369 O HIS A 26 5.094 11.132 -6.192 1.00 0.00 O ATOM 370 CB HIS A 26 3.446 8.400 -5.053 1.00 0.00 C ATOM 371 CG HIS A 26 2.697 7.283 -5.720 1.00 0.00 C ATOM 372 ND1 HIS A 26 2.198 7.398 -7.005 1.00 0.00 N ATOM 373 CD2 HIS A 26 2.346 6.026 -5.291 1.00 0.00 C ATOM 374 CE1 HIS A 26 1.581 6.242 -7.305 1.00 0.00 C ATOM 375 NE2 HIS A 26 1.642 5.372 -6.296 1.00 0.00 N ATOM 0 H HIS A 26 5.449 6.981 -5.197 1.00 0.00 H new ATOM 0 HA HIS A 26 4.377 8.860 -6.955 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.772 8.089 -4.060 1.00 0.00 H new ATOM 0 HB3 HIS A 26 2.790 9.260 -4.919 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.581 5.610 -4.322 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.095 6.042 -8.248 1.00 0.00 H new ATOM 0 HE2 HIS A 26 1.255 4.429 -6.268 1.00 0.00 H new ATOM 384 N LEU A 27 5.680 10.226 -4.216 1.00 0.00 N ATOM 385 CA LEU A 27 6.190 11.493 -3.698 1.00 0.00 C ATOM 386 C LEU A 27 7.592 11.776 -4.222 1.00 0.00 C ATOM 387 O LEU A 27 7.951 12.922 -4.480 1.00 0.00 O ATOM 388 CB LEU A 27 6.209 11.439 -2.170 1.00 0.00 C ATOM 389 CG LEU A 27 4.822 11.031 -1.659 1.00 0.00 C ATOM 390 CD1 LEU A 27 4.839 10.963 -0.128 1.00 0.00 C ATOM 391 CD2 LEU A 27 3.773 12.060 -2.115 1.00 0.00 C ATOM 0 H LEU A 27 5.753 9.437 -3.573 1.00 0.00 H new ATOM 0 HA LEU A 27 5.536 12.297 -4.035 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.959 10.725 -1.829 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.487 12.412 -1.764 1.00 0.00 H new ATOM 0 HG LEU A 27 4.565 10.053 -2.065 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.853 10.673 0.234 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.575 10.227 0.195 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.101 11.941 0.277 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.790 11.764 -1.749 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.029 13.042 -1.716 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.756 12.104 -3.204 1.00 0.00 H new ATOM 403 N GLY A 28 8.380 10.721 -4.376 1.00 0.00 N ATOM 404 CA GLY A 28 9.761 10.833 -4.858 1.00 0.00 C ATOM 405 C GLY A 28 10.766 10.751 -3.708 1.00 0.00 C ATOM 406 O GLY A 28 11.976 10.729 -3.936 1.00 0.00 O ATOM 0 H GLY A 28 8.087 9.765 -4.173 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.962 10.038 -5.576 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.887 11.778 -5.386 1.00 0.00 H new ATOM 410 N LEU A 29 10.267 10.693 -2.479 1.00 0.00 N ATOM 411 CA LEU A 29 11.136 10.618 -1.307 1.00 0.00 C ATOM 412 C LEU A 29 11.792 9.245 -1.242 1.00 0.00 C ATOM 413 O LEU A 29 11.623 8.425 -2.142 1.00 0.00 O ATOM 414 CB LEU A 29 10.331 10.862 -0.030 1.00 0.00 C ATOM 415 CG LEU A 29 9.505 12.142 -0.182 1.00 0.00 C ATOM 416 CD1 LEU A 29 8.699 12.380 1.097 1.00 0.00 C ATOM 417 CD2 LEU A 29 10.434 13.336 -0.439 1.00 0.00 C ATOM 0 H LEU A 29 9.269 10.696 -2.267 1.00 0.00 H new ATOM 0 HA LEU A 29 11.904 11.386 -1.391 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.674 10.014 0.166 1.00 0.00 H new ATOM 0 HB3 LEU A 29 11.002 10.949 0.824 1.00 0.00 H new ATOM 0 HG LEU A 29 8.825 12.035 -1.027 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.110 13.291 0.992 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.033 11.535 1.270 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.380 12.484 1.942 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.839 14.243 -0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 29 11.121 13.449 0.399 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.002 13.165 -1.353 1.00 0.00 H new ATOM 429 N ASP A 30 12.548 9.002 -0.177 1.00 0.00 N ATOM 430 CA ASP A 30 13.231 7.720 -0.009 1.00 0.00 C ATOM 431 C ASP A 30 12.332 6.716 0.707 1.00 0.00 C ATOM 432 O ASP A 30 11.704 7.042 1.714 1.00 0.00 O ATOM 433 CB ASP A 30 14.511 7.918 0.800 1.00 0.00 C ATOM 434 CG ASP A 30 15.533 8.683 -0.032 1.00 0.00 C ATOM 435 OD1 ASP A 30 15.295 8.853 -1.216 1.00 0.00 O ATOM 436 OD2 ASP A 30 16.538 9.087 0.527 1.00 0.00 O ATOM 0 H ASP A 30 12.704 9.669 0.579 1.00 0.00 H new ATOM 0 HA ASP A 30 13.475 7.330 -0.997 1.00 0.00 H new ATOM 0 HB2 ASP A 30 14.292 8.465 1.717 1.00 0.00 H new ATOM 0 HB3 ASP A 30 14.919 6.951 1.095 1.00 0.00 H new ATOM 441 N ALA A 31 12.275 5.497 0.179 1.00 0.00 N ATOM 442 CA ALA A 31 11.449 4.448 0.769 1.00 0.00 C ATOM 443 C ALA A 31 11.851 4.175 2.212 1.00 0.00 C ATOM 444 O ALA A 31 10.991 3.945 3.071 1.00 0.00 O ATOM 445 CB ALA A 31 11.583 3.159 -0.049 1.00 0.00 C ATOM 0 H ALA A 31 12.789 5.211 -0.654 1.00 0.00 H new ATOM 0 HA ALA A 31 10.414 4.789 0.758 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.964 2.380 0.396 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.256 3.342 -1.072 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.624 2.837 -0.053 1.00 0.00 H new ATOM 451 N ALA A 32 13.150 4.217 2.481 1.00 0.00 N ATOM 452 CA ALA A 32 13.651 3.966 3.820 1.00 0.00 C ATOM 453 C ALA A 32 13.124 4.986 4.814 1.00 0.00 C ATOM 454 O ALA A 32 13.186 4.772 6.023 1.00 0.00 O ATOM 455 CB ALA A 32 15.178 4.004 3.813 1.00 0.00 C ATOM 0 H ALA A 32 13.871 4.422 1.790 1.00 0.00 H new ATOM 0 HA ALA A 32 13.302 2.980 4.129 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.551 3.815 4.820 1.00 0.00 H new ATOM 0 HB2 ALA A 32 15.558 3.239 3.136 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.516 4.985 3.479 1.00 0.00 H new ATOM 461 N THR A 33 12.607 6.095 4.303 1.00 0.00 N ATOM 462 CA THR A 33 12.074 7.149 5.162 1.00 0.00 C ATOM 463 C THR A 33 10.728 7.631 4.652 1.00 0.00 C ATOM 464 O THR A 33 10.435 8.827 4.667 1.00 0.00 O ATOM 465 CB THR A 33 13.068 8.314 5.228 1.00 0.00 C ATOM 466 OG1 THR A 33 13.657 8.497 3.951 1.00 0.00 O ATOM 467 CG2 THR A 33 14.163 7.999 6.255 1.00 0.00 C ATOM 0 H THR A 33 12.544 6.290 3.304 1.00 0.00 H new ATOM 0 HA THR A 33 11.930 6.744 6.164 1.00 0.00 H new ATOM 0 HB THR A 33 12.545 9.223 5.526 1.00 0.00 H new ATOM 0 HG1 THR A 33 14.292 9.242 3.988 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.869 8.828 6.300 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.711 7.853 7.236 1.00 0.00 H new ATOM 0 HG23 THR A 33 14.689 7.091 5.959 1.00 0.00 H new ATOM 475 N ILE A 34 9.893 6.700 4.209 1.00 0.00 N ATOM 476 CA ILE A 34 8.576 7.085 3.724 1.00 0.00 C ATOM 477 C ILE A 34 7.629 7.313 4.889 1.00 0.00 C ATOM 478 O ILE A 34 7.285 8.451 5.208 1.00 0.00 O ATOM 479 CB ILE A 34 8.028 5.984 2.784 1.00 0.00 C ATOM 480 CG1 ILE A 34 8.416 6.319 1.340 1.00 0.00 C ATOM 481 CG2 ILE A 34 6.493 5.851 2.861 1.00 0.00 C ATOM 482 CD1 ILE A 34 7.608 7.514 0.809 1.00 0.00 C ATOM 0 H ILE A 34 10.096 5.701 4.175 1.00 0.00 H new ATOM 0 HA ILE A 34 8.658 8.018 3.167 1.00 0.00 H new ATOM 0 HB ILE A 34 8.463 5.037 3.104 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.481 6.546 1.290 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.245 5.450 0.704 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.161 5.065 2.182 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.200 5.598 3.880 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.031 6.796 2.575 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.906 7.727 -0.218 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.545 7.275 0.836 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.800 8.388 1.431 1.00 0.00 H new ATOM 494 N ALA A 35 7.190 6.221 5.494 1.00 0.00 N ATOM 495 CA ALA A 35 6.246 6.287 6.591 1.00 0.00 C ATOM 496 C ALA A 35 5.718 4.897 6.918 1.00 0.00 C ATOM 497 O ALA A 35 4.665 4.766 7.524 1.00 0.00 O ATOM 498 CB ALA A 35 5.063 7.203 6.229 1.00 0.00 C ATOM 0 H ALA A 35 7.476 5.275 5.240 1.00 0.00 H new ATOM 0 HA ALA A 35 6.764 6.693 7.460 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.364 7.241 7.064 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.431 8.207 6.018 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.555 6.810 5.348 1.00 0.00 H new ATOM 504 N THR A 36 6.420 3.852 6.487 1.00 0.00 N ATOM 505 CA THR A 36 5.973 2.483 6.743 1.00 0.00 C ATOM 506 C THR A 36 5.344 2.365 8.125 1.00 0.00 C ATOM 507 O THR A 36 4.350 1.660 8.299 1.00 0.00 O ATOM 508 CB THR A 36 7.182 1.546 6.676 1.00 0.00 C ATOM 509 OG1 THR A 36 7.991 1.757 7.827 1.00 0.00 O ATOM 510 CG2 THR A 36 8.002 1.848 5.421 1.00 0.00 C ATOM 0 H THR A 36 7.293 3.924 5.964 1.00 0.00 H new ATOM 0 HA THR A 36 5.230 2.214 5.993 1.00 0.00 H new ATOM 0 HB THR A 36 6.841 0.511 6.641 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.768 1.160 7.795 1.00 0.00 H new ATOM 0 HG21 THR A 36 8.861 1.179 5.378 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.382 1.700 4.537 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.348 2.881 5.452 1.00 0.00 H new ATOM 518 N ASP A 37 5.914 3.060 9.108 1.00 0.00 N ATOM 519 CA ASP A 37 5.382 3.024 10.465 1.00 0.00 C ATOM 520 C ASP A 37 4.414 4.174 10.696 1.00 0.00 C ATOM 521 O ASP A 37 3.662 4.172 11.668 1.00 0.00 O ATOM 522 CB ASP A 37 6.536 3.123 11.462 1.00 0.00 C ATOM 523 CG ASP A 37 7.371 1.851 11.410 1.00 0.00 C ATOM 524 OD1 ASP A 37 6.924 0.898 10.794 1.00 0.00 O ATOM 525 OD2 ASP A 37 8.449 1.850 11.983 1.00 0.00 O ATOM 0 H ASP A 37 6.738 3.650 8.990 1.00 0.00 H new ATOM 0 HA ASP A 37 4.845 2.086 10.605 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.158 3.987 11.228 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.147 3.273 12.469 1.00 0.00 H new ATOM 530 N LEU A 38 4.440 5.156 9.800 1.00 0.00 N ATOM 531 CA LEU A 38 3.558 6.317 9.917 1.00 0.00 C ATOM 532 C LEU A 38 2.426 6.254 8.891 1.00 0.00 C ATOM 533 O LEU A 38 2.556 5.640 7.833 1.00 0.00 O ATOM 534 CB LEU A 38 4.372 7.614 9.710 1.00 0.00 C ATOM 535 CG LEU A 38 5.048 8.046 11.028 1.00 0.00 C ATOM 536 CD1 LEU A 38 6.395 7.345 11.155 1.00 0.00 C ATOM 537 CD2 LEU A 38 5.253 9.562 11.025 1.00 0.00 C ATOM 0 H LEU A 38 5.058 5.173 8.989 1.00 0.00 H new ATOM 0 HA LEU A 38 3.119 6.312 10.915 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.129 7.456 8.941 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.716 8.408 9.354 1.00 0.00 H new ATOM 0 HG LEU A 38 4.415 7.772 11.872 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.876 7.647 12.085 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.244 6.265 11.159 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.029 7.620 10.312 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.731 9.866 11.956 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.887 9.842 10.184 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.288 10.060 10.933 1.00 0.00 H new ATOM 549 N PRO A 39 1.326 6.892 9.185 1.00 0.00 N ATOM 550 CA PRO A 39 0.156 6.927 8.267 1.00 0.00 C ATOM 551 C PRO A 39 0.484 7.656 6.962 1.00 0.00 C ATOM 552 O PRO A 39 1.584 8.179 6.784 1.00 0.00 O ATOM 553 CB PRO A 39 -0.920 7.680 9.073 1.00 0.00 C ATOM 554 CG PRO A 39 -0.165 8.465 10.101 1.00 0.00 C ATOM 555 CD PRO A 39 1.066 7.639 10.430 1.00 0.00 C ATOM 0 HA PRO A 39 -0.164 5.931 7.963 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.506 8.336 8.430 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.618 6.986 9.542 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.114 9.446 9.717 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -0.773 8.632 10.990 1.00 0.00 H new ATOM 0 HD2 PRO A 39 1.911 8.271 10.702 1.00 0.00 H new ATOM 0 HD3 PRO A 39 0.886 6.968 11.270 1.00 0.00 H new ATOM 563 N LEU A 40 -0.489 7.692 6.065 1.00 0.00 N ATOM 564 CA LEU A 40 -0.321 8.372 4.786 1.00 0.00 C ATOM 565 C LEU A 40 -0.402 9.885 4.958 1.00 0.00 C ATOM 566 O LEU A 40 0.124 10.643 4.145 1.00 0.00 O ATOM 567 CB LEU A 40 -1.391 7.897 3.789 1.00 0.00 C ATOM 568 CG LEU A 40 -2.767 8.486 4.151 1.00 0.00 C ATOM 569 CD1 LEU A 40 -3.782 8.115 3.077 1.00 0.00 C ATOM 570 CD2 LEU A 40 -3.218 7.939 5.508 1.00 0.00 C ATOM 0 H LEU A 40 -1.403 7.259 6.197 1.00 0.00 H new ATOM 0 HA LEU A 40 0.666 8.124 4.396 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.114 8.199 2.779 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.443 6.808 3.794 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.693 9.572 4.210 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.755 8.533 3.336 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.458 8.516 2.117 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.860 7.030 3.009 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.192 8.357 5.763 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.291 6.853 5.456 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.492 8.218 6.272 1.00 0.00 H new ATOM 582 N THR A 41 -1.092 10.314 6.011 1.00 0.00 N ATOM 583 CA THR A 41 -1.274 11.730 6.270 1.00 0.00 C ATOM 584 C THR A 41 0.066 12.435 6.292 1.00 0.00 C ATOM 585 O THR A 41 0.162 13.597 5.910 1.00 0.00 O ATOM 586 CB THR A 41 -1.991 11.940 7.605 1.00 0.00 C ATOM 587 OG1 THR A 41 -3.054 11.004 7.719 1.00 0.00 O ATOM 588 CG2 THR A 41 -2.560 13.360 7.668 1.00 0.00 C ATOM 0 H THR A 41 -1.532 9.699 6.695 1.00 0.00 H new ATOM 0 HA THR A 41 -1.885 12.151 5.471 1.00 0.00 H new ATOM 0 HB THR A 41 -1.283 11.797 8.422 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.515 11.135 8.574 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.070 13.506 8.620 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.748 14.082 7.577 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.268 13.505 6.852 1.00 0.00 H new ATOM 596 N SER A 42 1.098 11.737 6.757 1.00 0.00 N ATOM 597 CA SER A 42 2.428 12.320 6.836 1.00 0.00 C ATOM 598 C SER A 42 2.777 13.052 5.543 1.00 0.00 C ATOM 599 O SER A 42 3.463 14.073 5.564 1.00 0.00 O ATOM 600 CB SER A 42 3.457 11.209 7.084 1.00 0.00 C ATOM 601 OG SER A 42 3.613 10.443 5.897 1.00 0.00 O ATOM 0 H SER A 42 1.037 10.772 7.083 1.00 0.00 H new ATOM 0 HA SER A 42 2.445 13.036 7.657 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.413 11.642 7.380 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.129 10.569 7.903 1.00 0.00 H new ATOM 0 HG SER A 42 4.095 10.972 5.227 1.00 0.00 H new ATOM 607 N TYR A 43 2.302 12.528 4.420 1.00 0.00 N ATOM 608 CA TYR A 43 2.573 13.143 3.123 1.00 0.00 C ATOM 609 C TYR A 43 1.859 14.482 3.001 1.00 0.00 C ATOM 610 O TYR A 43 2.084 15.232 2.053 1.00 0.00 O ATOM 611 CB TYR A 43 2.123 12.196 2.004 1.00 0.00 C ATOM 612 CG TYR A 43 2.492 10.771 2.347 1.00 0.00 C ATOM 613 CD1 TYR A 43 3.687 10.483 3.032 1.00 0.00 C ATOM 614 CD2 TYR A 43 1.637 9.726 1.975 1.00 0.00 C ATOM 615 CE1 TYR A 43 4.012 9.167 3.341 1.00 0.00 C ATOM 616 CE2 TYR A 43 1.972 8.405 2.286 1.00 0.00 C ATOM 617 CZ TYR A 43 3.158 8.129 2.970 1.00 0.00 C ATOM 618 OH TYR A 43 3.483 6.827 3.281 1.00 0.00 O ATOM 0 H TYR A 43 1.731 11.684 4.379 1.00 0.00 H new ATOM 0 HA TYR A 43 3.644 13.323 3.035 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.045 12.276 1.861 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.592 12.484 1.063 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.352 11.285 3.318 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.719 9.941 1.448 1.00 0.00 H new ATOM 0 HE1 TYR A 43 4.928 8.948 3.870 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.314 7.598 1.998 1.00 0.00 H new ATOM 0 HH TYR A 43 2.781 6.227 2.952 1.00 0.00 H new ATOM 628 N GLY A 44 1.018 14.786 3.975 1.00 0.00 N ATOM 629 CA GLY A 44 0.303 16.053 3.978 1.00 0.00 C ATOM 630 C GLY A 44 -0.615 16.157 2.773 1.00 0.00 C ATOM 631 O GLY A 44 -0.882 17.248 2.276 1.00 0.00 O ATOM 0 H GLY A 44 0.814 14.179 4.769 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.280 16.144 4.894 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.016 16.878 3.970 1.00 0.00 H new ATOM 635 N LEU A 45 -1.092 15.016 2.297 1.00 0.00 N ATOM 636 CA LEU A 45 -1.979 14.989 1.148 1.00 0.00 C ATOM 637 C LEU A 45 -3.417 15.351 1.532 1.00 0.00 C ATOM 638 O LEU A 45 -3.907 14.971 2.594 1.00 0.00 O ATOM 639 CB LEU A 45 -1.960 13.590 0.515 1.00 0.00 C ATOM 640 CG LEU A 45 -2.749 12.582 1.381 1.00 0.00 C ATOM 641 CD1 LEU A 45 -2.711 11.192 0.735 1.00 0.00 C ATOM 642 CD2 LEU A 45 -2.126 12.510 2.782 1.00 0.00 C ATOM 0 H LEU A 45 -0.879 14.099 2.689 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.622 15.732 0.435 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.392 13.633 -0.485 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.930 13.251 0.403 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.785 12.913 1.457 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.270 10.488 1.352 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.160 11.240 -0.257 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.677 10.858 0.650 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.683 11.799 3.392 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.089 12.185 2.703 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.163 13.495 3.248 1.00 0.00 H new ATOM 654 N ASP A 46 -4.087 16.077 0.657 1.00 0.00 N ATOM 655 CA ASP A 46 -5.468 16.466 0.916 1.00 0.00 C ATOM 656 C ASP A 46 -6.406 15.276 0.716 1.00 0.00 C ATOM 657 O ASP A 46 -5.972 14.183 0.348 1.00 0.00 O ATOM 658 CB ASP A 46 -5.877 17.600 -0.016 1.00 0.00 C ATOM 659 CG ASP A 46 -5.184 18.891 0.404 1.00 0.00 C ATOM 660 OD1 ASP A 46 -4.612 18.909 1.482 1.00 0.00 O ATOM 661 OD2 ASP A 46 -5.232 19.840 -0.358 1.00 0.00 O ATOM 0 H ASP A 46 -3.707 16.408 -0.230 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.541 16.804 1.950 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.611 17.352 -1.044 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.959 17.732 0.010 1.00 0.00 H new ATOM 666 N SER A 47 -7.694 15.493 0.966 1.00 0.00 N ATOM 667 CA SER A 47 -8.688 14.437 0.811 1.00 0.00 C ATOM 668 C SER A 47 -8.848 14.056 -0.658 1.00 0.00 C ATOM 669 O SER A 47 -9.062 12.889 -0.987 1.00 0.00 O ATOM 670 CB SER A 47 -10.033 14.898 1.370 1.00 0.00 C ATOM 671 OG SER A 47 -10.978 13.844 1.248 1.00 0.00 O ATOM 0 H SER A 47 -8.073 16.388 1.276 1.00 0.00 H new ATOM 0 HA SER A 47 -8.346 13.562 1.364 1.00 0.00 H new ATOM 0 HB2 SER A 47 -9.926 15.186 2.416 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.382 15.779 0.831 1.00 0.00 H new ATOM 0 HG SER A 47 -11.842 14.136 1.607 1.00 0.00 H new ATOM 677 N VAL A 48 -8.745 15.049 -1.534 1.00 0.00 N ATOM 678 CA VAL A 48 -8.887 14.809 -2.965 1.00 0.00 C ATOM 679 C VAL A 48 -7.763 13.913 -3.470 1.00 0.00 C ATOM 680 O VAL A 48 -7.919 13.208 -4.466 1.00 0.00 O ATOM 681 CB VAL A 48 -8.867 16.137 -3.723 1.00 0.00 C ATOM 682 CG1 VAL A 48 -9.044 15.876 -5.220 1.00 0.00 C ATOM 683 CG2 VAL A 48 -10.007 17.025 -3.221 1.00 0.00 C ATOM 0 H VAL A 48 -8.565 16.021 -1.281 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.840 14.309 -3.138 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.913 16.637 -3.554 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.030 16.823 -5.759 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.232 15.243 -5.577 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -9.997 15.375 -5.392 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.995 17.972 -3.760 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -10.960 16.524 -3.390 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -9.880 17.213 -2.155 1.00 0.00 H new ATOM 693 N TYR A 49 -6.633 13.944 -2.779 1.00 0.00 N ATOM 694 CA TYR A 49 -5.496 13.125 -3.176 1.00 0.00 C ATOM 695 C TYR A 49 -5.840 11.641 -3.088 1.00 0.00 C ATOM 696 O TYR A 49 -5.588 10.878 -4.016 1.00 0.00 O ATOM 697 CB TYR A 49 -4.285 13.438 -2.262 1.00 0.00 C ATOM 698 CG TYR A 49 -3.106 13.913 -3.082 1.00 0.00 C ATOM 699 CD1 TYR A 49 -3.254 14.999 -3.947 1.00 0.00 C ATOM 700 CD2 TYR A 49 -1.873 13.256 -2.984 1.00 0.00 C ATOM 701 CE1 TYR A 49 -2.170 15.430 -4.716 1.00 0.00 C ATOM 702 CE2 TYR A 49 -0.794 13.681 -3.749 1.00 0.00 C ATOM 703 CZ TYR A 49 -0.938 14.770 -4.619 1.00 0.00 C ATOM 704 OH TYR A 49 0.129 15.194 -5.382 1.00 0.00 O ATOM 0 H TYR A 49 -6.479 14.519 -1.951 1.00 0.00 H new ATOM 0 HA TYR A 49 -5.244 13.359 -4.210 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.560 14.202 -1.534 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.008 12.547 -1.699 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.205 15.505 -4.022 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -1.761 12.418 -2.313 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -2.282 16.271 -5.384 1.00 0.00 H new ATOM 0 HE2 TYR A 49 0.156 13.172 -3.673 1.00 0.00 H new ATOM 0 HH TYR A 49 0.909 14.631 -5.195 1.00 0.00 H new ATOM 714 N ALA A 50 -6.409 11.239 -1.965 1.00 0.00 N ATOM 715 CA ALA A 50 -6.759 9.843 -1.769 1.00 0.00 C ATOM 716 C ALA A 50 -7.548 9.323 -2.957 1.00 0.00 C ATOM 717 O ALA A 50 -7.291 8.233 -3.458 1.00 0.00 O ATOM 718 CB ALA A 50 -7.592 9.692 -0.495 1.00 0.00 C ATOM 0 H ALA A 50 -6.637 11.852 -1.182 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.841 9.263 -1.675 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.852 8.643 -0.352 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.015 10.042 0.361 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.504 10.283 -0.584 1.00 0.00 H new ATOM 724 N LEU A 51 -8.509 10.107 -3.404 1.00 0.00 N ATOM 725 CA LEU A 51 -9.329 9.699 -4.532 1.00 0.00 C ATOM 726 C LEU A 51 -8.467 9.235 -5.703 1.00 0.00 C ATOM 727 O LEU A 51 -8.529 8.071 -6.115 1.00 0.00 O ATOM 728 CB LEU A 51 -10.208 10.869 -4.981 1.00 0.00 C ATOM 729 CG LEU A 51 -11.147 10.424 -6.135 1.00 0.00 C ATOM 730 CD1 LEU A 51 -12.552 10.985 -5.907 1.00 0.00 C ATOM 731 CD2 LEU A 51 -10.611 10.946 -7.478 1.00 0.00 C ATOM 0 H LEU A 51 -8.741 11.019 -3.011 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.954 8.865 -4.212 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.800 11.232 -4.141 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.582 11.698 -5.311 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.185 9.335 -6.155 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -13.206 10.669 -6.720 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -12.944 10.612 -4.961 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.509 12.074 -5.878 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -11.275 10.630 -8.282 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -10.564 12.035 -7.453 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.613 10.544 -7.652 1.00 0.00 H new ATOM 743 N SER A 52 -7.649 10.143 -6.227 1.00 0.00 N ATOM 744 CA SER A 52 -6.781 9.811 -7.349 1.00 0.00 C ATOM 745 C SER A 52 -5.722 8.803 -6.942 1.00 0.00 C ATOM 746 O SER A 52 -5.512 7.804 -7.625 1.00 0.00 O ATOM 747 CB SER A 52 -6.105 11.080 -7.864 1.00 0.00 C ATOM 748 OG SER A 52 -5.655 10.859 -9.197 1.00 0.00 O ATOM 0 H SER A 52 -7.570 11.105 -5.896 1.00 0.00 H new ATOM 0 HA SER A 52 -7.392 9.368 -8.136 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.804 11.916 -7.837 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.265 11.346 -7.222 1.00 0.00 H new ATOM 0 HG SER A 52 -5.221 11.670 -9.535 1.00 0.00 H new ATOM 754 N ILE A 53 -5.055 9.078 -5.830 1.00 0.00 N ATOM 755 CA ILE A 53 -4.007 8.188 -5.351 1.00 0.00 C ATOM 756 C ILE A 53 -4.564 6.799 -5.060 1.00 0.00 C ATOM 757 O ILE A 53 -4.147 5.813 -5.654 1.00 0.00 O ATOM 758 CB ILE A 53 -3.376 8.762 -4.080 1.00 0.00 C ATOM 759 CG1 ILE A 53 -2.713 10.110 -4.411 1.00 0.00 C ATOM 760 CG2 ILE A 53 -2.326 7.779 -3.507 1.00 0.00 C ATOM 761 CD1 ILE A 53 -1.563 9.932 -5.415 1.00 0.00 C ATOM 0 H ILE A 53 -5.218 9.900 -5.249 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.250 8.103 -6.130 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.151 8.911 -3.329 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.456 10.793 -4.823 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.334 10.566 -3.497 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.887 8.202 -2.604 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.808 6.831 -3.267 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.543 7.611 -4.247 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.114 10.902 -5.630 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.809 9.269 -4.991 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.949 9.499 -6.338 1.00 0.00 H new ATOM 773 N ALA A 54 -5.511 6.722 -4.144 1.00 0.00 N ATOM 774 CA ALA A 54 -6.095 5.438 -3.797 1.00 0.00 C ATOM 775 C ALA A 54 -6.503 4.679 -5.052 1.00 0.00 C ATOM 776 O ALA A 54 -6.402 3.452 -5.099 1.00 0.00 O ATOM 777 CB ALA A 54 -7.318 5.650 -2.915 1.00 0.00 C ATOM 0 H ALA A 54 -5.889 7.520 -3.633 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.350 4.854 -3.258 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.753 4.684 -2.657 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.023 6.170 -2.004 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -8.055 6.248 -3.452 1.00 0.00 H new ATOM 783 N ALA A 55 -6.961 5.417 -6.064 1.00 0.00 N ATOM 784 CA ALA A 55 -7.385 4.790 -7.317 1.00 0.00 C ATOM 785 C ALA A 55 -6.231 4.073 -8.012 1.00 0.00 C ATOM 786 O ALA A 55 -6.296 2.878 -8.258 1.00 0.00 O ATOM 787 CB ALA A 55 -7.942 5.843 -8.268 1.00 0.00 C ATOM 0 H ALA A 55 -7.047 6.433 -6.043 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.152 4.058 -7.065 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.254 5.366 -9.197 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.799 6.334 -7.806 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.172 6.584 -8.482 1.00 0.00 H new ATOM 793 N GLU A 56 -5.180 4.810 -8.337 1.00 0.00 N ATOM 794 CA GLU A 56 -4.035 4.213 -9.022 1.00 0.00 C ATOM 795 C GLU A 56 -3.430 3.071 -8.199 1.00 0.00 C ATOM 796 O GLU A 56 -3.106 2.002 -8.733 1.00 0.00 O ATOM 797 CB GLU A 56 -2.972 5.285 -9.289 1.00 0.00 C ATOM 798 CG GLU A 56 -2.732 6.096 -8.023 1.00 0.00 C ATOM 799 CD GLU A 56 -1.699 7.184 -8.263 1.00 0.00 C ATOM 800 OE1 GLU A 56 -1.775 7.828 -9.296 1.00 0.00 O ATOM 801 OE2 GLU A 56 -0.854 7.365 -7.403 1.00 0.00 O ATOM 0 H GLU A 56 -5.092 5.808 -8.143 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.382 3.800 -9.969 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.043 4.817 -9.614 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.298 5.941 -10.096 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.668 6.545 -7.691 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.393 5.437 -7.223 1.00 0.00 H new ATOM 808 N LEU A 57 -3.282 3.298 -6.899 1.00 0.00 N ATOM 809 CA LEU A 57 -2.703 2.284 -6.026 1.00 0.00 C ATOM 810 C LEU A 57 -3.467 0.984 -6.120 1.00 0.00 C ATOM 811 O LEU A 57 -2.940 0.009 -6.607 1.00 0.00 O ATOM 812 CB LEU A 57 -2.738 2.774 -4.575 1.00 0.00 C ATOM 813 CG LEU A 57 -1.898 4.048 -4.424 1.00 0.00 C ATOM 814 CD1 LEU A 57 -2.065 4.603 -3.014 1.00 0.00 C ATOM 815 CD2 LEU A 57 -0.421 3.754 -4.674 1.00 0.00 C ATOM 0 H LEU A 57 -3.551 4.163 -6.431 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.675 2.112 -6.344 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.767 2.971 -4.275 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.356 1.997 -3.912 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.241 4.778 -5.157 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.468 5.509 -2.906 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.115 4.837 -2.837 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.732 3.860 -2.289 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.157 4.671 -4.562 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.070 3.014 -3.954 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.293 3.366 -5.685 1.00 0.00 H new ATOM 827 N GLU A 58 -4.701 0.980 -5.660 1.00 0.00 N ATOM 828 CA GLU A 58 -5.503 -0.241 -5.697 1.00 0.00 C ATOM 829 C GLU A 58 -5.715 -0.728 -7.131 1.00 0.00 C ATOM 830 O GLU A 58 -5.754 -1.932 -7.389 1.00 0.00 O ATOM 831 CB GLU A 58 -6.855 0.017 -5.057 1.00 0.00 C ATOM 832 CG GLU A 58 -7.612 1.107 -5.861 1.00 0.00 C ATOM 833 CD GLU A 58 -8.651 0.476 -6.785 1.00 0.00 C ATOM 834 OE1 GLU A 58 -8.262 -0.326 -7.615 1.00 0.00 O ATOM 835 OE2 GLU A 58 -9.817 0.807 -6.648 1.00 0.00 O ATOM 0 H GLU A 58 -5.172 1.792 -5.260 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.964 -1.012 -5.146 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.439 -0.903 -5.033 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.724 0.338 -4.024 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.101 1.798 -5.174 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.903 1.690 -6.448 1.00 0.00 H new ATOM 842 N ASP A 59 -5.853 0.212 -8.058 1.00 0.00 N ATOM 843 CA ASP A 59 -6.067 -0.132 -9.461 1.00 0.00 C ATOM 844 C ASP A 59 -4.893 -0.936 -10.006 1.00 0.00 C ATOM 845 O ASP A 59 -5.027 -1.648 -10.999 1.00 0.00 O ATOM 846 CB ASP A 59 -6.241 1.139 -10.291 1.00 0.00 C ATOM 847 CG ASP A 59 -6.318 0.798 -11.773 1.00 0.00 C ATOM 848 OD1 ASP A 59 -7.248 0.106 -12.152 1.00 0.00 O ATOM 849 OD2 ASP A 59 -5.445 1.232 -12.505 1.00 0.00 O ATOM 0 H ASP A 59 -5.821 1.213 -7.867 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.970 -0.739 -9.528 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -7.147 1.661 -9.984 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.406 1.816 -10.110 1.00 0.00 H new ATOM 854 N HIS A 60 -3.746 -0.818 -9.350 1.00 0.00 N ATOM 855 CA HIS A 60 -2.559 -1.556 -9.784 1.00 0.00 C ATOM 856 C HIS A 60 -2.627 -3.017 -9.331 1.00 0.00 C ATOM 857 O HIS A 60 -2.129 -3.912 -10.014 1.00 0.00 O ATOM 858 CB HIS A 60 -1.287 -0.873 -9.230 1.00 0.00 C ATOM 859 CG HIS A 60 -0.740 0.082 -10.238 1.00 0.00 C ATOM 860 ND1 HIS A 60 -1.554 0.730 -11.148 1.00 0.00 N ATOM 861 CD2 HIS A 60 0.530 0.516 -10.486 1.00 0.00 C ATOM 862 CE1 HIS A 60 -0.769 1.514 -11.902 1.00 0.00 C ATOM 863 NE2 HIS A 60 0.515 1.420 -11.540 1.00 0.00 N ATOM 0 H HIS A 60 -3.609 -0.229 -8.528 1.00 0.00 H new ATOM 0 HA HIS A 60 -2.521 -1.547 -10.873 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.521 -0.345 -8.306 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -0.537 -1.626 -8.986 1.00 0.00 H new ATOM 0 HD2 HIS A 60 1.411 0.204 -9.945 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -1.129 2.143 -12.702 1.00 0.00 H new ATOM 0 HE2 HIS A 60 1.312 1.907 -11.950 1.00 0.00 H new ATOM 872 N LEU A 61 -3.233 -3.250 -8.173 1.00 0.00 N ATOM 873 CA LEU A 61 -3.348 -4.603 -7.629 1.00 0.00 C ATOM 874 C LEU A 61 -4.711 -5.180 -7.932 1.00 0.00 C ATOM 875 O LEU A 61 -5.092 -6.205 -7.373 1.00 0.00 O ATOM 876 CB LEU A 61 -3.104 -4.592 -6.109 1.00 0.00 C ATOM 877 CG LEU A 61 -1.820 -3.815 -5.782 1.00 0.00 C ATOM 878 CD1 LEU A 61 -0.671 -4.305 -6.674 1.00 0.00 C ATOM 879 CD2 LEU A 61 -2.051 -2.312 -5.996 1.00 0.00 C ATOM 0 H LEU A 61 -3.652 -2.524 -7.592 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.591 -5.229 -8.101 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.953 -4.135 -5.601 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.023 -5.614 -5.739 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.554 -3.987 -4.739 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.236 -3.750 -6.437 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.502 -5.368 -6.499 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.930 -4.146 -7.721 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.137 -1.766 -5.762 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.326 -2.131 -7.035 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.854 -1.971 -5.343 1.00 0.00 H new ATOM 891 N ASP A 62 -5.437 -4.536 -8.841 1.00 0.00 N ATOM 892 CA ASP A 62 -6.751 -5.019 -9.223 1.00 0.00 C ATOM 893 C ASP A 62 -7.614 -5.293 -8.002 1.00 0.00 C ATOM 894 O ASP A 62 -8.043 -6.424 -7.776 1.00 0.00 O ATOM 895 CB ASP A 62 -6.614 -6.293 -10.034 1.00 0.00 C ATOM 896 CG ASP A 62 -6.014 -5.980 -11.409 1.00 0.00 C ATOM 897 OD1 ASP A 62 -6.400 -4.975 -11.987 1.00 0.00 O ATOM 898 OD2 ASP A 62 -5.184 -6.749 -11.865 1.00 0.00 O ATOM 0 H ASP A 62 -5.138 -3.687 -9.320 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.233 -4.245 -9.821 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.979 -7.004 -9.505 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.590 -6.764 -10.153 1.00 0.00 H new ATOM 903 N VAL A 63 -7.855 -4.259 -7.215 1.00 0.00 N ATOM 904 CA VAL A 63 -8.661 -4.397 -6.006 1.00 0.00 C ATOM 905 C VAL A 63 -9.367 -3.093 -5.684 1.00 0.00 C ATOM 906 O VAL A 63 -8.960 -2.036 -6.147 1.00 0.00 O ATOM 907 CB VAL A 63 -7.764 -4.792 -4.825 1.00 0.00 C ATOM 908 CG1 VAL A 63 -7.390 -6.261 -4.936 1.00 0.00 C ATOM 909 CG2 VAL A 63 -6.480 -3.956 -4.847 1.00 0.00 C ATOM 0 H VAL A 63 -7.507 -3.316 -7.387 1.00 0.00 H new ATOM 0 HA VAL A 63 -9.408 -5.172 -6.177 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.306 -4.615 -3.896 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.753 -6.539 -4.096 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.295 -6.869 -4.922 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.854 -6.430 -5.870 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.846 -4.240 -4.007 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.946 -4.134 -5.780 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.733 -2.899 -4.770 1.00 0.00 H new ATOM 919 N SER A 64 -10.436 -3.173 -4.896 1.00 0.00 N ATOM 920 CA SER A 64 -11.194 -1.981 -4.510 1.00 0.00 C ATOM 921 C SER A 64 -11.243 -1.884 -2.992 1.00 0.00 C ATOM 922 O SER A 64 -11.324 -2.898 -2.300 1.00 0.00 O ATOM 923 CB SER A 64 -12.614 -2.055 -5.063 1.00 0.00 C ATOM 924 OG SER A 64 -13.256 -3.216 -4.556 1.00 0.00 O ATOM 0 H SER A 64 -10.798 -4.046 -4.512 1.00 0.00 H new ATOM 0 HA SER A 64 -10.702 -1.099 -4.920 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.174 -1.163 -4.780 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.591 -2.085 -6.152 1.00 0.00 H new ATOM 0 HG SER A 64 -14.169 -3.265 -4.908 1.00 0.00 H new ATOM 930 N LEU A 65 -11.181 -0.656 -2.482 1.00 0.00 N ATOM 931 CA LEU A 65 -11.203 -0.418 -1.032 1.00 0.00 C ATOM 932 C LEU A 65 -12.452 0.348 -0.655 1.00 0.00 C ATOM 933 O LEU A 65 -13.175 0.840 -1.522 1.00 0.00 O ATOM 934 CB LEU A 65 -9.953 0.374 -0.590 1.00 0.00 C ATOM 935 CG LEU A 65 -8.826 0.139 -1.598 1.00 0.00 C ATOM 936 CD1 LEU A 65 -9.070 0.976 -2.875 1.00 0.00 C ATOM 937 CD2 LEU A 65 -7.489 0.531 -0.965 1.00 0.00 C ATOM 0 H LEU A 65 -11.115 0.191 -3.046 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.202 -1.382 -0.524 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.185 1.437 -0.527 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.640 0.057 0.405 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.803 -0.916 -1.871 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.262 0.801 -3.585 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.019 0.684 -3.326 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.102 2.034 -2.616 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.685 0.364 -1.681 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.514 1.584 -0.686 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.315 -0.076 -0.077 1.00 0.00 H new ATOM 949 N ASP A 66 -12.702 0.447 0.647 1.00 0.00 N ATOM 950 CA ASP A 66 -13.873 1.164 1.135 1.00 0.00 C ATOM 951 C ASP A 66 -13.503 2.569 1.617 1.00 0.00 C ATOM 952 O ASP A 66 -12.350 2.841 1.937 1.00 0.00 O ATOM 953 CB ASP A 66 -14.535 0.361 2.274 1.00 0.00 C ATOM 954 CG ASP A 66 -15.911 -0.156 1.839 1.00 0.00 C ATOM 955 OD1 ASP A 66 -15.950 -0.998 0.959 1.00 0.00 O ATOM 956 OD2 ASP A 66 -16.896 0.308 2.388 1.00 0.00 O ATOM 0 H ASP A 66 -12.115 0.043 1.377 1.00 0.00 H new ATOM 0 HA ASP A 66 -14.579 1.272 0.312 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -13.897 -0.477 2.554 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -14.640 0.991 3.157 1.00 0.00 H new ATOM 961 N PRO A 67 -14.467 3.452 1.699 1.00 0.00 N ATOM 962 CA PRO A 67 -14.234 4.847 2.182 1.00 0.00 C ATOM 963 C PRO A 67 -13.577 4.886 3.569 1.00 0.00 C ATOM 964 O PRO A 67 -12.394 5.205 3.697 1.00 0.00 O ATOM 965 CB PRO A 67 -15.649 5.465 2.217 1.00 0.00 C ATOM 966 CG PRO A 67 -16.475 4.628 1.298 1.00 0.00 C ATOM 967 CD PRO A 67 -15.880 3.226 1.342 1.00 0.00 C ATOM 0 HA PRO A 67 -13.544 5.391 1.536 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -16.056 5.456 3.228 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -15.631 6.505 1.890 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -17.518 4.617 1.614 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -16.453 5.027 0.284 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -16.384 2.601 2.080 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -15.973 2.722 0.380 1.00 0.00 H new ATOM 975 N THR A 68 -14.358 4.569 4.596 1.00 0.00 N ATOM 976 CA THR A 68 -13.856 4.588 5.962 1.00 0.00 C ATOM 977 C THR A 68 -12.749 3.560 6.133 1.00 0.00 C ATOM 978 O THR A 68 -11.983 3.612 7.095 1.00 0.00 O ATOM 979 CB THR A 68 -14.996 4.286 6.940 1.00 0.00 C ATOM 980 OG1 THR A 68 -15.642 3.081 6.553 1.00 0.00 O ATOM 981 CG2 THR A 68 -16.008 5.434 6.929 1.00 0.00 C ATOM 0 H THR A 68 -15.337 4.297 4.508 1.00 0.00 H new ATOM 0 HA THR A 68 -13.453 5.579 6.172 1.00 0.00 H new ATOM 0 HB THR A 68 -14.589 4.177 7.945 1.00 0.00 H new ATOM 0 HG1 THR A 68 -16.371 2.885 7.178 1.00 0.00 H new ATOM 0 HG21 THR A 68 -16.816 5.213 7.626 1.00 0.00 H new ATOM 0 HG22 THR A 68 -15.513 6.358 7.228 1.00 0.00 H new ATOM 0 HG23 THR A 68 -16.416 5.549 5.925 1.00 0.00 H new ATOM 989 N LEU A 69 -12.665 2.633 5.190 1.00 0.00 N ATOM 990 CA LEU A 69 -11.636 1.603 5.241 1.00 0.00 C ATOM 991 C LEU A 69 -10.258 2.199 4.955 1.00 0.00 C ATOM 992 O LEU A 69 -9.285 1.902 5.645 1.00 0.00 O ATOM 993 CB LEU A 69 -11.959 0.502 4.234 1.00 0.00 C ATOM 994 CG LEU A 69 -10.930 -0.636 4.354 1.00 0.00 C ATOM 995 CD1 LEU A 69 -11.510 -1.906 3.730 1.00 0.00 C ATOM 996 CD2 LEU A 69 -9.596 -0.260 3.655 1.00 0.00 C ATOM 0 H LEU A 69 -13.291 2.572 4.387 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.617 1.176 6.244 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.963 0.117 4.413 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.949 0.908 3.222 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.717 -0.806 5.409 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.785 -2.716 3.812 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.425 -2.184 4.254 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.734 -1.725 2.679 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.888 -1.083 3.756 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.781 -0.068 2.598 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.181 0.635 4.120 1.00 0.00 H new ATOM 1008 N ILE A 70 -10.185 3.054 3.944 1.00 0.00 N ATOM 1009 CA ILE A 70 -8.919 3.683 3.585 1.00 0.00 C ATOM 1010 C ILE A 70 -8.332 4.395 4.796 1.00 0.00 C ATOM 1011 O ILE A 70 -7.123 4.351 5.027 1.00 0.00 O ATOM 1012 CB ILE A 70 -9.136 4.676 2.436 1.00 0.00 C ATOM 1013 CG1 ILE A 70 -9.447 3.907 1.146 1.00 0.00 C ATOM 1014 CG2 ILE A 70 -7.875 5.515 2.229 1.00 0.00 C ATOM 1015 CD1 ILE A 70 -10.007 4.866 0.089 1.00 0.00 C ATOM 0 H ILE A 70 -10.978 3.327 3.363 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.218 2.915 3.257 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.971 5.332 2.685 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.543 3.427 0.772 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -10.168 3.115 1.349 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.036 6.218 1.412 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.650 6.066 3.142 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.038 4.860 1.985 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -10.226 4.313 -0.825 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -10.922 5.325 0.463 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.272 5.642 -0.124 1.00 0.00 H new ATOM 1027 N TRP A 71 -9.193 5.043 5.570 1.00 0.00 N ATOM 1028 CA TRP A 71 -8.745 5.750 6.761 1.00 0.00 C ATOM 1029 C TRP A 71 -8.543 4.766 7.913 1.00 0.00 C ATOM 1030 O TRP A 71 -8.071 5.145 8.986 1.00 0.00 O ATOM 1031 CB TRP A 71 -9.774 6.811 7.160 1.00 0.00 C ATOM 1032 CG TRP A 71 -9.721 7.947 6.190 1.00 0.00 C ATOM 1033 CD1 TRP A 71 -10.685 8.245 5.288 1.00 0.00 C ATOM 1034 CD2 TRP A 71 -8.665 8.935 6.004 1.00 0.00 C ATOM 1035 NE1 TRP A 71 -10.289 9.356 4.563 1.00 0.00 N ATOM 1036 CE2 TRP A 71 -9.050 9.816 4.968 1.00 0.00 C ATOM 1037 CE3 TRP A 71 -7.422 9.148 6.630 1.00 0.00 C ATOM 1038 CZ2 TRP A 71 -8.233 10.873 4.565 1.00 0.00 C ATOM 1039 CZ3 TRP A 71 -6.597 10.210 6.227 1.00 0.00 C ATOM 1040 CH2 TRP A 71 -7.001 11.071 5.197 1.00 0.00 C ATOM 0 H TRP A 71 -10.197 5.093 5.396 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.796 6.239 6.541 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -10.774 6.377 7.173 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -9.569 7.170 8.169 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -11.611 7.705 5.156 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -10.844 9.783 3.821 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -7.101 8.491 7.425 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -8.550 11.533 3.771 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -5.645 10.365 6.713 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -6.362 11.886 4.892 1.00 0.00 H new ATOM 1051 N ASP A 72 -8.909 3.502 7.681 1.00 0.00 N ATOM 1052 CA ASP A 72 -8.766 2.466 8.704 1.00 0.00 C ATOM 1053 C ASP A 72 -7.372 1.859 8.648 1.00 0.00 C ATOM 1054 O ASP A 72 -6.764 1.577 9.681 1.00 0.00 O ATOM 1055 CB ASP A 72 -9.809 1.372 8.501 1.00 0.00 C ATOM 1056 CG ASP A 72 -9.883 0.499 9.749 1.00 0.00 C ATOM 1057 OD1 ASP A 72 -8.971 0.577 10.557 1.00 0.00 O ATOM 1058 OD2 ASP A 72 -10.851 -0.228 9.884 1.00 0.00 O ATOM 0 H ASP A 72 -9.304 3.174 6.799 1.00 0.00 H new ATOM 0 HA ASP A 72 -8.917 2.925 9.681 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.783 1.817 8.298 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.549 0.764 7.634 1.00 0.00 H new ATOM 1063 N HIS A 73 -6.860 1.675 7.429 1.00 0.00 N ATOM 1064 CA HIS A 73 -5.517 1.118 7.231 1.00 0.00 C ATOM 1065 C HIS A 73 -4.595 2.152 6.576 1.00 0.00 C ATOM 1066 O HIS A 73 -4.064 1.921 5.489 1.00 0.00 O ATOM 1067 CB HIS A 73 -5.606 -0.125 6.346 1.00 0.00 C ATOM 1068 CG HIS A 73 -6.679 -1.032 6.866 1.00 0.00 C ATOM 1069 ND1 HIS A 73 -7.030 -1.075 8.207 1.00 0.00 N ATOM 1070 CD2 HIS A 73 -7.496 -1.933 6.235 1.00 0.00 C ATOM 1071 CE1 HIS A 73 -8.020 -1.975 8.335 1.00 0.00 C ATOM 1072 NE2 HIS A 73 -8.342 -2.529 7.164 1.00 0.00 N ATOM 0 H HIS A 73 -7.352 1.902 6.565 1.00 0.00 H new ATOM 0 HA HIS A 73 -5.102 0.849 8.203 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.825 0.163 5.318 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -4.649 -0.646 6.335 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -7.485 -2.148 5.177 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -8.497 -2.220 9.272 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -9.055 -3.237 6.988 1.00 0.00 H new ATOM 1081 N PRO A 74 -4.397 3.280 7.218 1.00 0.00 N ATOM 1082 CA PRO A 74 -3.521 4.369 6.700 1.00 0.00 C ATOM 1083 C PRO A 74 -2.045 4.003 6.771 1.00 0.00 C ATOM 1084 O PRO A 74 -1.191 4.748 6.303 1.00 0.00 O ATOM 1085 CB PRO A 74 -3.834 5.554 7.628 1.00 0.00 C ATOM 1086 CG PRO A 74 -4.287 4.933 8.907 1.00 0.00 C ATOM 1087 CD PRO A 74 -4.998 3.644 8.513 1.00 0.00 C ATOM 0 HA PRO A 74 -3.709 4.580 5.647 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.954 6.178 7.782 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.608 6.194 7.204 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.441 4.728 9.563 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -4.958 5.599 9.449 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.845 2.862 9.257 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.074 3.794 8.424 1.00 0.00 H new ATOM 1095 N THR A 75 -1.757 2.847 7.358 1.00 0.00 N ATOM 1096 CA THR A 75 -0.375 2.382 7.491 1.00 0.00 C ATOM 1097 C THR A 75 -0.106 1.214 6.549 1.00 0.00 C ATOM 1098 O THR A 75 -1.028 0.538 6.096 1.00 0.00 O ATOM 1099 CB THR A 75 -0.104 1.955 8.935 1.00 0.00 C ATOM 1100 OG1 THR A 75 -1.168 1.126 9.387 1.00 0.00 O ATOM 1101 CG2 THR A 75 -0.006 3.195 9.827 1.00 0.00 C ATOM 0 H THR A 75 -2.456 2.215 7.749 1.00 0.00 H new ATOM 0 HA THR A 75 0.291 3.203 7.226 1.00 0.00 H new ATOM 0 HB THR A 75 0.835 1.403 8.982 1.00 0.00 H new ATOM 0 HG1 THR A 75 -0.997 0.849 10.311 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.187 2.889 10.855 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.808 3.830 9.478 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.943 3.750 9.783 1.00 0.00 H new ATOM 1109 N ILE A 76 1.169 0.985 6.270 1.00 0.00 N ATOM 1110 CA ILE A 76 1.568 -0.106 5.394 1.00 0.00 C ATOM 1111 C ILE A 76 1.310 -1.450 6.057 1.00 0.00 C ATOM 1112 O ILE A 76 0.875 -2.398 5.410 1.00 0.00 O ATOM 1113 CB ILE A 76 3.051 0.014 5.020 1.00 0.00 C ATOM 1114 CG1 ILE A 76 3.252 1.269 4.154 1.00 0.00 C ATOM 1115 CG2 ILE A 76 3.499 -1.231 4.227 1.00 0.00 C ATOM 1116 CD1 ILE A 76 4.697 1.334 3.626 1.00 0.00 C ATOM 0 H ILE A 76 1.943 1.539 6.637 1.00 0.00 H new ATOM 0 HA ILE A 76 0.970 -0.042 4.485 1.00 0.00 H new ATOM 0 HB ILE A 76 3.647 0.090 5.930 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.553 1.257 3.318 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.032 2.161 4.740 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.553 -1.136 3.966 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.355 -2.122 4.837 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.906 -1.315 3.316 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.821 2.228 3.015 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.390 1.369 4.466 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.904 0.451 3.022 1.00 0.00 H new ATOM 1128 N ASP A 77 1.615 -1.535 7.345 1.00 0.00 N ATOM 1129 CA ASP A 77 1.444 -2.783 8.075 1.00 0.00 C ATOM 1130 C ASP A 77 0.038 -3.331 7.882 1.00 0.00 C ATOM 1131 O ASP A 77 -0.141 -4.503 7.539 1.00 0.00 O ATOM 1132 CB ASP A 77 1.694 -2.544 9.565 1.00 0.00 C ATOM 1133 CG ASP A 77 1.456 -3.832 10.348 1.00 0.00 C ATOM 1134 OD1 ASP A 77 1.336 -4.869 9.720 1.00 0.00 O ATOM 1135 OD2 ASP A 77 1.397 -3.759 11.565 1.00 0.00 O ATOM 0 H ASP A 77 1.979 -0.762 7.902 1.00 0.00 H new ATOM 0 HA ASP A 77 2.160 -3.510 7.690 1.00 0.00 H new ATOM 0 HB2 ASP A 77 2.716 -2.198 9.720 1.00 0.00 H new ATOM 0 HB3 ASP A 77 1.033 -1.759 9.932 1.00 0.00 H new ATOM 1140 N ALA A 78 -0.961 -2.482 8.097 1.00 0.00 N ATOM 1141 CA ALA A 78 -2.342 -2.902 7.940 1.00 0.00 C ATOM 1142 C ALA A 78 -2.663 -3.173 6.477 1.00 0.00 C ATOM 1143 O ALA A 78 -3.271 -4.192 6.138 1.00 0.00 O ATOM 1144 CB ALA A 78 -3.278 -1.810 8.478 1.00 0.00 C ATOM 0 H ALA A 78 -0.839 -1.509 8.378 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.488 -3.824 8.503 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.314 -2.128 8.359 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.070 -1.640 9.534 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.116 -0.886 7.923 1.00 0.00 H new ATOM 1150 N LEU A 79 -2.274 -2.247 5.616 1.00 0.00 N ATOM 1151 CA LEU A 79 -2.571 -2.391 4.204 1.00 0.00 C ATOM 1152 C LEU A 79 -1.944 -3.673 3.661 1.00 0.00 C ATOM 1153 O LEU A 79 -2.590 -4.436 2.943 1.00 0.00 O ATOM 1154 CB LEU A 79 -2.021 -1.175 3.431 1.00 0.00 C ATOM 1155 CG LEU A 79 -2.958 -0.813 2.261 1.00 0.00 C ATOM 1156 CD1 LEU A 79 -3.264 -2.057 1.397 1.00 0.00 C ATOM 1157 CD2 LEU A 79 -4.279 -0.221 2.824 1.00 0.00 C ATOM 0 H LEU A 79 -1.761 -1.402 5.866 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.652 -2.445 4.074 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.923 -0.323 4.103 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.024 -1.398 3.051 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.463 -0.074 1.630 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.927 -1.777 0.578 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.334 -2.456 0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.747 -2.817 2.011 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.943 0.036 1.999 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.764 -0.958 3.465 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.058 0.675 3.404 1.00 0.00 H new ATOM 1169 N SER A 80 -0.685 -3.897 4.004 1.00 0.00 N ATOM 1170 CA SER A 80 0.018 -5.082 3.536 1.00 0.00 C ATOM 1171 C SER A 80 -0.690 -6.338 4.018 1.00 0.00 C ATOM 1172 O SER A 80 -0.933 -7.258 3.240 1.00 0.00 O ATOM 1173 CB SER A 80 1.453 -5.069 4.058 1.00 0.00 C ATOM 1174 OG SER A 80 2.120 -6.245 3.624 1.00 0.00 O ATOM 0 H SER A 80 -0.133 -3.280 4.600 1.00 0.00 H new ATOM 0 HA SER A 80 0.028 -5.078 2.446 1.00 0.00 H new ATOM 0 HB2 SER A 80 1.977 -4.185 3.694 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.456 -5.016 5.147 1.00 0.00 H new ATOM 0 HG SER A 80 3.042 -6.239 3.956 1.00 0.00 H new ATOM 1180 N THR A 81 -1.029 -6.364 5.304 1.00 0.00 N ATOM 1181 CA THR A 81 -1.717 -7.517 5.881 1.00 0.00 C ATOM 1182 C THR A 81 -2.975 -7.842 5.072 1.00 0.00 C ATOM 1183 O THR A 81 -3.293 -9.010 4.809 1.00 0.00 O ATOM 1184 CB THR A 81 -2.097 -7.223 7.333 1.00 0.00 C ATOM 1185 OG1 THR A 81 -0.916 -7.047 8.104 1.00 0.00 O ATOM 1186 CG2 THR A 81 -2.912 -8.390 7.893 1.00 0.00 C ATOM 0 H THR A 81 -0.841 -5.608 5.962 1.00 0.00 H new ATOM 0 HA THR A 81 -1.047 -8.376 5.852 1.00 0.00 H new ATOM 0 HB THR A 81 -2.695 -6.313 7.378 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.553 -6.151 7.946 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.183 -8.181 8.928 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.817 -8.519 7.300 1.00 0.00 H new ATOM 0 HG23 THR A 81 -2.317 -9.302 7.851 1.00 0.00 H new ATOM 1194 N ALA A 82 -3.696 -6.804 4.681 1.00 0.00 N ATOM 1195 CA ALA A 82 -4.911 -6.993 3.903 1.00 0.00 C ATOM 1196 C ALA A 82 -4.586 -7.512 2.502 1.00 0.00 C ATOM 1197 O ALA A 82 -5.293 -8.374 1.954 1.00 0.00 O ATOM 1198 CB ALA A 82 -5.669 -5.670 3.792 1.00 0.00 C ATOM 0 H ALA A 82 -3.465 -5.832 4.886 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.531 -7.730 4.413 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.577 -5.819 3.208 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.932 -5.317 4.789 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.039 -4.930 3.299 1.00 0.00 H new ATOM 1204 N LEU A 83 -3.515 -6.984 1.903 1.00 0.00 N ATOM 1205 CA LEU A 83 -3.137 -7.395 0.565 1.00 0.00 C ATOM 1206 C LEU A 83 -2.766 -8.875 0.534 1.00 0.00 C ATOM 1207 O LEU A 83 -3.309 -9.637 -0.254 1.00 0.00 O ATOM 1208 CB LEU A 83 -1.943 -6.543 0.088 1.00 0.00 C ATOM 1209 CG LEU A 83 -2.014 -6.345 -1.423 1.00 0.00 C ATOM 1210 CD1 LEU A 83 -0.789 -5.562 -1.887 1.00 0.00 C ATOM 1211 CD2 LEU A 83 -2.052 -7.711 -2.111 1.00 0.00 C ATOM 0 H LEU A 83 -2.907 -6.281 2.323 1.00 0.00 H new ATOM 0 HA LEU A 83 -3.986 -7.245 -0.101 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.952 -5.576 0.591 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.007 -7.032 0.355 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.915 -5.788 -1.682 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.836 -5.419 -2.966 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.769 -4.591 -1.392 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.115 -6.117 -1.634 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.103 -7.573 -3.191 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.151 -8.271 -1.859 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.929 -8.264 -1.774 1.00 0.00 H new ATOM 1223 N VAL A 84 -1.848 -9.282 1.405 1.00 0.00 N ATOM 1224 CA VAL A 84 -1.442 -10.674 1.450 1.00 0.00 C ATOM 1225 C VAL A 84 -2.655 -11.551 1.735 1.00 0.00 C ATOM 1226 O VAL A 84 -2.739 -12.681 1.260 1.00 0.00 O ATOM 1227 CB VAL A 84 -0.380 -10.864 2.540 1.00 0.00 C ATOM 1228 CG1 VAL A 84 -0.968 -10.486 3.896 1.00 0.00 C ATOM 1229 CG2 VAL A 84 0.095 -12.323 2.569 1.00 0.00 C ATOM 0 H VAL A 84 -1.380 -8.675 2.078 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.017 -10.962 0.489 1.00 0.00 H new ATOM 0 HB VAL A 84 0.473 -10.221 2.321 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.213 -10.621 4.670 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.286 -9.444 3.877 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.826 -11.123 4.111 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.849 -12.445 3.347 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.751 -12.977 2.778 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.526 -12.585 1.602 1.00 0.00 H new ATOM 1239 N ALA A 85 -3.593 -11.031 2.516 1.00 0.00 N ATOM 1240 CA ALA A 85 -4.785 -11.794 2.846 1.00 0.00 C ATOM 1241 C ALA A 85 -5.542 -12.160 1.576 1.00 0.00 C ATOM 1242 O ALA A 85 -6.086 -13.258 1.458 1.00 0.00 O ATOM 1243 CB ALA A 85 -5.688 -10.973 3.752 1.00 0.00 C ATOM 0 H ALA A 85 -3.552 -10.098 2.926 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.485 -12.707 3.360 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.580 -11.550 3.996 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.154 -10.725 4.669 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.978 -10.055 3.241 1.00 0.00 H new ATOM 1249 N GLU A 86 -5.571 -11.234 0.627 1.00 0.00 N ATOM 1250 CA GLU A 86 -6.263 -11.482 -0.635 1.00 0.00 C ATOM 1251 C GLU A 86 -5.647 -12.683 -1.364 1.00 0.00 C ATOM 1252 O GLU A 86 -6.296 -13.340 -2.181 1.00 0.00 O ATOM 1253 CB GLU A 86 -6.183 -10.213 -1.526 1.00 0.00 C ATOM 1254 CG GLU A 86 -5.031 -10.314 -2.537 1.00 0.00 C ATOM 1255 CD GLU A 86 -5.428 -11.203 -3.714 1.00 0.00 C ATOM 1256 OE1 GLU A 86 -6.572 -11.127 -4.129 1.00 0.00 O ATOM 1257 OE2 GLU A 86 -4.581 -11.950 -4.180 1.00 0.00 O ATOM 0 H GLU A 86 -5.131 -10.317 0.702 1.00 0.00 H new ATOM 0 HA GLU A 86 -7.308 -11.712 -0.426 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -7.125 -10.079 -2.057 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.043 -9.333 -0.898 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -4.768 -9.320 -2.897 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -4.146 -10.721 -2.049 1.00 0.00 H new ATOM 1264 N LEU A 87 -4.373 -12.932 -1.085 1.00 0.00 N ATOM 1265 CA LEU A 87 -3.660 -14.020 -1.738 1.00 0.00 C ATOM 1266 C LEU A 87 -4.048 -15.353 -1.126 1.00 0.00 C ATOM 1267 O LEU A 87 -3.912 -16.401 -1.757 1.00 0.00 O ATOM 1268 CB LEU A 87 -2.136 -13.815 -1.626 1.00 0.00 C ATOM 1269 CG LEU A 87 -1.394 -14.985 -2.287 1.00 0.00 C ATOM 1270 CD1 LEU A 87 -1.817 -15.113 -3.758 1.00 0.00 C ATOM 1271 CD2 LEU A 87 0.111 -14.731 -2.202 1.00 0.00 C ATOM 0 H LEU A 87 -3.817 -12.399 -0.416 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.937 -14.022 -2.792 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.852 -12.878 -2.104 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.848 -13.738 -0.578 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.642 -15.912 -1.770 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.285 -15.946 -4.218 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.891 -15.293 -3.814 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.576 -14.191 -4.287 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.646 -15.557 -2.669 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.353 -13.803 -2.720 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.408 -14.651 -1.156 1.00 0.00 H new ATOM 1283 N ARG A 88 -4.533 -15.304 0.105 1.00 0.00 N ATOM 1284 CA ARG A 88 -4.937 -16.515 0.803 1.00 0.00 C ATOM 1285 C ARG A 88 -6.353 -16.918 0.401 1.00 0.00 C ATOM 1286 O ARG A 88 -6.619 -17.202 -0.768 1.00 0.00 O ATOM 1287 CB ARG A 88 -4.870 -16.288 2.314 1.00 0.00 C ATOM 1288 CG ARG A 88 -3.410 -16.163 2.748 1.00 0.00 C ATOM 1289 CD ARG A 88 -3.350 -15.905 4.254 1.00 0.00 C ATOM 1290 NE ARG A 88 -1.963 -15.812 4.695 1.00 0.00 N ATOM 1291 CZ ARG A 88 -1.661 -15.559 5.964 1.00 0.00 C ATOM 1292 NH1 ARG A 88 -2.613 -15.389 6.840 1.00 0.00 N ATOM 1293 NH2 ARG A 88 -0.411 -15.484 6.334 1.00 0.00 N ATOM 0 H ARG A 88 -4.656 -14.444 0.639 1.00 0.00 H new ATOM 0 HA ARG A 88 -4.256 -17.320 0.528 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -5.418 -15.385 2.581 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.346 -17.117 2.838 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -2.866 -17.075 2.502 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.927 -15.348 2.208 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.878 -14.982 4.493 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -3.856 -16.709 4.788 1.00 0.00 H new ATOM 0 HE ARG A 88 -1.212 -15.943 4.018 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -3.589 -15.450 6.551 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -2.381 -15.195 7.814 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.333 -15.620 5.649 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -0.178 -15.290 7.308 1.00 0.00 H new ATOM 1307 N SER A 89 -7.258 -16.943 1.375 1.00 0.00 N ATOM 1308 CA SER A 89 -8.645 -17.315 1.117 1.00 0.00 C ATOM 1309 C SER A 89 -9.576 -16.616 2.105 1.00 0.00 C ATOM 1310 O SER A 89 -9.554 -15.391 2.232 1.00 0.00 O ATOM 1311 CB SER A 89 -8.806 -18.831 1.237 1.00 0.00 C ATOM 1312 OG SER A 89 -8.569 -19.224 2.582 1.00 0.00 O ATOM 0 H SER A 89 -7.056 -16.711 2.348 1.00 0.00 H new ATOM 0 HA SER A 89 -8.909 -17.003 0.106 1.00 0.00 H new ATOM 0 HB2 SER A 89 -9.809 -19.127 0.931 1.00 0.00 H new ATOM 0 HB3 SER A 89 -8.107 -19.336 0.570 1.00 0.00 H new ATOM 0 HG SER A 89 -8.673 -20.195 2.662 1.00 0.00 H new ATOM 1318 N ALA A 90 -10.389 -17.403 2.802 1.00 0.00 N ATOM 1319 CA ALA A 90 -11.323 -16.850 3.774 1.00 0.00 C ATOM 1320 C ALA A 90 -12.240 -15.828 3.110 1.00 0.00 C ATOM 1321 O ALA A 90 -12.415 -15.912 1.906 1.00 0.00 O ATOM 1322 CB ALA A 90 -10.555 -16.185 4.917 1.00 0.00 C ATOM 1323 OXT ALA A 90 -12.754 -14.976 3.818 1.00 0.00 O ATOM 0 H ALA A 90 -10.420 -18.419 2.713 1.00 0.00 H new ATOM 0 HA ALA A 90 -11.930 -17.663 4.172 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -11.261 -15.774 5.639 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -9.922 -16.924 5.408 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.934 -15.382 4.519 1.00 0.00 H new TER 1329 ALA A 90