USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=24 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 Single : A 1 GLY N :NH3+ 179:sc= -0.163 (180deg=-0.168) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot -13:sc= -0.402! USER MOD Single : A 7 SER OG : rot 15:sc= 1.17 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0221 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -37:sc= 0.015! USER MOD Single : A 22 CYS SG : rot 143:sc= -1.96 USER MOD Single : A 26 HIS : no HE2:sc= -1.75 K(o=-1.7,f=-4.7!) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.717 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.452 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.597 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= -2.04! USER MOD Single : A 47 SER OG : rot -75:sc= 0.00232 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 HE2:sc= -1.49! C(o=-1.5!,f=-4.9!) 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= -1.18 K(o=-1.2,f=-3.4!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0132 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 90:sc= 1.12 USER MOD Single : A 89 SER OG : rot -59:sc= 0.492 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.750 -8.912 -3.779 1.00 0.00 N ATOM 2 CA GLY A 1 -10.642 -9.579 -3.039 1.00 0.00 C ATOM 3 C GLY A 1 -10.851 -11.089 -3.060 1.00 0.00 C ATOM 4 O GLY A 1 -10.111 -11.837 -2.421 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.616 -7.881 -3.750 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.750 -9.233 -4.768 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.659 -9.155 -3.336 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.684 -9.328 -3.494 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.610 -9.220 -2.010 1.00 0.00 H new ATOM 10 N HIS A 2 -11.863 -11.531 -3.799 1.00 0.00 N ATOM 11 CA HIS A 2 -12.163 -12.956 -3.898 1.00 0.00 C ATOM 12 C HIS A 2 -11.293 -13.614 -4.960 1.00 0.00 C ATOM 13 O HIS A 2 -11.266 -14.837 -5.077 1.00 0.00 O ATOM 14 CB HIS A 2 -13.637 -13.158 -4.251 1.00 0.00 C ATOM 15 CG HIS A 2 -14.492 -12.737 -3.088 1.00 0.00 C ATOM 16 ND1 HIS A 2 -14.469 -13.406 -1.875 1.00 0.00 N ATOM 17 CD2 HIS A 2 -15.401 -11.720 -2.939 1.00 0.00 C ATOM 18 CE1 HIS A 2 -15.337 -12.789 -1.054 1.00 0.00 C ATOM 19 NE2 HIS A 2 -15.934 -11.754 -1.653 1.00 0.00 N ATOM 0 H HIS A 2 -12.486 -10.928 -4.335 1.00 0.00 H new ATOM 0 HA HIS A 2 -11.953 -13.418 -2.933 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -13.894 -12.574 -5.135 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -13.824 -14.204 -4.494 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -15.663 -11.003 -3.703 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -15.528 -13.093 -0.035 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -16.630 -11.124 -1.254 1.00 0.00 H new ATOM 28 N MET A 3 -10.586 -12.794 -5.738 1.00 0.00 N ATOM 29 CA MET A 3 -9.711 -13.305 -6.799 1.00 0.00 C ATOM 30 C MET A 3 -8.324 -12.670 -6.703 1.00 0.00 C ATOM 31 O MET A 3 -7.652 -12.790 -5.678 1.00 0.00 O ATOM 32 CB MET A 3 -10.337 -13.006 -8.166 1.00 0.00 C ATOM 33 CG MET A 3 -10.785 -11.540 -8.215 1.00 0.00 C ATOM 34 SD MET A 3 -11.309 -11.128 -9.897 1.00 0.00 S ATOM 35 CE MET A 3 -11.639 -9.374 -9.606 1.00 0.00 C ATOM 0 H MET A 3 -10.600 -11.777 -5.656 1.00 0.00 H new ATOM 0 HA MET A 3 -9.602 -14.383 -6.680 1.00 0.00 H new ATOM 0 HB2 MET A 3 -9.616 -13.203 -8.959 1.00 0.00 H new ATOM 0 HB3 MET A 3 -11.189 -13.663 -8.339 1.00 0.00 H new ATOM 0 HG2 MET A 3 -11.605 -11.375 -7.516 1.00 0.00 H new ATOM 0 HG3 MET A 3 -9.968 -10.888 -7.907 1.00 0.00 H new ATOM 0 HE1 MET A 3 -11.982 -8.910 -10.531 1.00 0.00 H new ATOM 0 HE2 MET A 3 -12.409 -9.271 -8.841 1.00 0.00 H new ATOM 0 HE3 MET A 3 -10.726 -8.883 -9.270 1.00 0.00 H new ATOM 45 N SER A 4 -7.903 -12.003 -7.776 1.00 0.00 N ATOM 46 CA SER A 4 -6.602 -11.357 -7.814 1.00 0.00 C ATOM 47 C SER A 4 -5.510 -12.370 -7.523 1.00 0.00 C ATOM 48 O SER A 4 -5.409 -13.384 -8.206 1.00 0.00 O ATOM 49 CB SER A 4 -6.550 -10.228 -6.790 1.00 0.00 C ATOM 50 OG SER A 4 -6.472 -10.780 -5.482 1.00 0.00 O ATOM 0 H SER A 4 -8.449 -11.898 -8.631 1.00 0.00 H new ATOM 0 HA SER A 4 -6.443 -10.941 -8.809 1.00 0.00 H new ATOM 0 HB2 SER A 4 -5.687 -9.590 -6.979 1.00 0.00 H new ATOM 0 HB3 SER A 4 -7.436 -9.600 -6.879 1.00 0.00 H new ATOM 0 HG SER A 4 -6.680 -11.737 -5.518 1.00 0.00 H new ATOM 56 N ASP A 5 -4.695 -12.093 -6.505 1.00 0.00 N ATOM 57 CA ASP A 5 -3.611 -12.984 -6.128 1.00 0.00 C ATOM 58 C ASP A 5 -2.411 -12.780 -7.045 1.00 0.00 C ATOM 59 O ASP A 5 -1.326 -13.276 -6.771 1.00 0.00 O ATOM 60 CB ASP A 5 -4.082 -14.462 -6.179 1.00 0.00 C ATOM 61 CG ASP A 5 -3.599 -15.155 -7.463 1.00 0.00 C ATOM 62 OD1 ASP A 5 -2.397 -15.325 -7.600 1.00 0.00 O ATOM 63 OD2 ASP A 5 -4.431 -15.501 -8.285 1.00 0.00 O ATOM 0 H ASP A 5 -4.770 -11.255 -5.929 1.00 0.00 H new ATOM 0 HA ASP A 5 -3.312 -12.750 -5.107 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -3.703 -14.998 -5.309 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -5.170 -14.502 -6.128 1.00 0.00 H new ATOM 68 N LEU A 6 -2.623 -12.071 -8.140 1.00 0.00 N ATOM 69 CA LEU A 6 -1.560 -11.828 -9.101 1.00 0.00 C ATOM 70 C LEU A 6 -1.349 -13.052 -10.000 1.00 0.00 C ATOM 71 O LEU A 6 -1.910 -13.131 -11.098 1.00 0.00 O ATOM 72 CB LEU A 6 -0.251 -11.464 -8.355 1.00 0.00 C ATOM 73 CG LEU A 6 0.600 -10.518 -9.201 1.00 0.00 C ATOM 74 CD1 LEU A 6 1.691 -9.916 -8.327 1.00 0.00 C ATOM 75 CD2 LEU A 6 1.237 -11.298 -10.357 1.00 0.00 C ATOM 0 H LEU A 6 -3.521 -11.654 -8.386 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.847 -10.991 -9.738 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.488 -10.994 -7.400 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.313 -12.370 -8.133 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.025 -9.723 -9.607 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.303 -9.239 -8.923 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.235 -9.364 -7.505 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.317 -10.713 -7.926 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.844 -10.623 -10.960 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.867 -12.092 -9.956 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.454 -11.734 -10.977 1.00 0.00 H new ATOM 87 N SER A 7 -0.533 -13.992 -9.535 1.00 0.00 N ATOM 88 CA SER A 7 -0.238 -15.188 -10.298 1.00 0.00 C ATOM 89 C SER A 7 0.556 -16.188 -9.471 1.00 0.00 C ATOM 90 O SER A 7 -0.014 -16.957 -8.698 1.00 0.00 O ATOM 91 CB SER A 7 0.550 -14.824 -11.562 1.00 0.00 C ATOM 92 OG SER A 7 -0.352 -14.385 -12.573 1.00 0.00 O ATOM 0 H SER A 7 -0.065 -13.943 -8.630 1.00 0.00 H new ATOM 0 HA SER A 7 -1.185 -15.649 -10.578 1.00 0.00 H new ATOM 0 HB2 SER A 7 1.273 -14.040 -11.339 1.00 0.00 H new ATOM 0 HB3 SER A 7 1.114 -15.688 -11.913 1.00 0.00 H new ATOM 0 HG SER A 7 -1.223 -14.186 -12.170 1.00 0.00 H new ATOM 98 N THR A 8 1.875 -16.185 -9.660 1.00 0.00 N ATOM 99 CA THR A 8 2.737 -17.115 -8.968 1.00 0.00 C ATOM 100 C THR A 8 2.368 -17.201 -7.526 1.00 0.00 C ATOM 101 O THR A 8 2.156 -18.304 -7.047 1.00 0.00 O ATOM 102 CB THR A 8 4.197 -16.680 -9.088 1.00 0.00 C ATOM 103 OG1 THR A 8 4.481 -16.366 -10.441 1.00 0.00 O ATOM 104 CG2 THR A 8 5.111 -17.814 -8.618 1.00 0.00 C ATOM 0 H THR A 8 2.361 -15.545 -10.289 1.00 0.00 H new ATOM 0 HA THR A 8 2.612 -18.095 -9.429 1.00 0.00 H new ATOM 0 HB THR A 8 4.370 -15.801 -8.467 1.00 0.00 H new ATOM 0 HG1 THR A 8 5.416 -16.085 -10.522 1.00 0.00 H new ATOM 0 HG21 THR A 8 6.152 -17.502 -8.704 1.00 0.00 H new ATOM 0 HG22 THR A 8 4.889 -18.053 -7.578 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.944 -18.696 -9.237 1.00 0.00 H new ATOM 112 N ALA A 9 2.274 -16.036 -6.860 1.00 0.00 N ATOM 113 CA ALA A 9 1.908 -15.964 -5.431 1.00 0.00 C ATOM 114 C ALA A 9 2.724 -14.878 -4.718 1.00 0.00 C ATOM 115 O ALA A 9 3.815 -15.145 -4.213 1.00 0.00 O ATOM 116 CB ALA A 9 2.157 -17.298 -4.734 1.00 0.00 C ATOM 0 H ALA A 9 2.447 -15.127 -7.290 1.00 0.00 H new ATOM 0 HA ALA A 9 0.847 -15.722 -5.379 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.879 -17.217 -3.683 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.557 -18.074 -5.209 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.213 -17.557 -4.811 1.00 0.00 H new ATOM 122 N PRO A 10 2.220 -13.672 -4.662 1.00 0.00 N ATOM 123 CA PRO A 10 2.912 -12.535 -3.987 1.00 0.00 C ATOM 124 C PRO A 10 3.246 -12.870 -2.535 1.00 0.00 C ATOM 125 O PRO A 10 2.453 -13.501 -1.840 1.00 0.00 O ATOM 126 CB PRO A 10 1.887 -11.383 -4.071 1.00 0.00 C ATOM 127 CG PRO A 10 0.992 -11.742 -5.206 1.00 0.00 C ATOM 128 CD PRO A 10 0.941 -13.261 -5.250 1.00 0.00 C ATOM 0 HA PRO A 10 3.866 -12.288 -4.453 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.326 -11.286 -3.142 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.381 -10.427 -4.246 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -0.004 -11.324 -5.062 1.00 0.00 H new ATOM 0 HG3 PRO A 10 1.374 -11.339 -6.144 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.096 -13.649 -4.681 1.00 0.00 H new ATOM 0 HD3 PRO A 10 0.834 -13.628 -6.271 1.00 0.00 H new ATOM 136 N THR A 11 4.423 -12.442 -2.086 1.00 0.00 N ATOM 137 CA THR A 11 4.858 -12.700 -0.711 1.00 0.00 C ATOM 138 C THR A 11 4.794 -11.422 0.118 1.00 0.00 C ATOM 139 O THR A 11 4.843 -10.319 -0.418 1.00 0.00 O ATOM 140 CB THR A 11 6.287 -13.239 -0.714 1.00 0.00 C ATOM 141 OG1 THR A 11 6.363 -14.367 -1.576 1.00 0.00 O ATOM 142 CG2 THR A 11 6.681 -13.647 0.704 1.00 0.00 C ATOM 0 H THR A 11 5.092 -11.917 -2.649 1.00 0.00 H new ATOM 0 HA THR A 11 4.191 -13.439 -0.268 1.00 0.00 H new ATOM 0 HB THR A 11 6.969 -12.466 -1.068 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.280 -14.714 -1.581 1.00 0.00 H new ATOM 0 HG21 THR A 11 7.701 -14.032 0.702 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.622 -12.780 1.362 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.002 -14.421 1.062 1.00 0.00 H new ATOM 150 N LEU A 12 4.681 -11.580 1.425 1.00 0.00 N ATOM 151 CA LEU A 12 4.593 -10.430 2.316 1.00 0.00 C ATOM 152 C LEU A 12 5.681 -9.417 1.988 1.00 0.00 C ATOM 153 O LEU A 12 5.437 -8.209 1.985 1.00 0.00 O ATOM 154 CB LEU A 12 4.748 -10.885 3.772 1.00 0.00 C ATOM 155 CG LEU A 12 3.470 -11.590 4.232 1.00 0.00 C ATOM 156 CD1 LEU A 12 3.279 -12.899 3.448 1.00 0.00 C ATOM 157 CD2 LEU A 12 3.568 -11.900 5.729 1.00 0.00 C ATOM 0 H LEU A 12 4.648 -12.486 1.893 1.00 0.00 H new ATOM 0 HA LEU A 12 3.618 -9.962 2.179 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.600 -11.559 3.864 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.951 -10.026 4.412 1.00 0.00 H new ATOM 0 HG LEU A 12 2.617 -10.937 4.048 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.367 -13.394 3.782 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.202 -12.678 2.383 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.132 -13.555 3.622 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.658 -12.402 6.057 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.426 -12.548 5.911 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.690 -10.971 6.286 1.00 0.00 H new ATOM 169 N ASP A 13 6.878 -9.913 1.716 1.00 0.00 N ATOM 170 CA ASP A 13 7.990 -9.034 1.390 1.00 0.00 C ATOM 171 C ASP A 13 7.758 -8.351 0.051 1.00 0.00 C ATOM 172 O ASP A 13 8.086 -7.181 -0.108 1.00 0.00 O ATOM 173 CB ASP A 13 9.293 -9.827 1.322 1.00 0.00 C ATOM 174 CG ASP A 13 9.331 -10.858 2.452 1.00 0.00 C ATOM 175 OD1 ASP A 13 8.855 -10.540 3.532 1.00 0.00 O ATOM 176 OD2 ASP A 13 9.819 -11.951 2.221 1.00 0.00 O ATOM 0 H ASP A 13 7.103 -10.908 1.714 1.00 0.00 H new ATOM 0 HA ASP A 13 8.061 -8.280 2.174 1.00 0.00 H new ATOM 0 HB2 ASP A 13 9.375 -10.328 0.357 1.00 0.00 H new ATOM 0 HB3 ASP A 13 10.145 -9.152 1.404 1.00 0.00 H new ATOM 181 N SER A 14 7.191 -9.087 -0.909 1.00 0.00 N ATOM 182 CA SER A 14 6.928 -8.530 -2.230 1.00 0.00 C ATOM 183 C SER A 14 5.877 -7.430 -2.145 1.00 0.00 C ATOM 184 O SER A 14 5.970 -6.399 -2.827 1.00 0.00 O ATOM 185 CB SER A 14 6.461 -9.624 -3.170 1.00 0.00 C ATOM 186 OG SER A 14 5.212 -10.139 -2.723 1.00 0.00 O ATOM 0 H SER A 14 6.909 -10.061 -0.794 1.00 0.00 H new ATOM 0 HA SER A 14 7.851 -8.099 -2.616 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.362 -9.230 -4.181 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.201 -10.423 -3.210 1.00 0.00 H new ATOM 0 HG SER A 14 5.204 -10.173 -1.744 1.00 0.00 H new ATOM 192 N LEU A 15 4.864 -7.647 -1.322 1.00 0.00 N ATOM 193 CA LEU A 15 3.823 -6.653 -1.172 1.00 0.00 C ATOM 194 C LEU A 15 4.350 -5.475 -0.360 1.00 0.00 C ATOM 195 O LEU A 15 4.510 -4.376 -0.877 1.00 0.00 O ATOM 196 CB LEU A 15 2.615 -7.270 -0.453 1.00 0.00 C ATOM 197 CG LEU A 15 2.195 -8.550 -1.172 1.00 0.00 C ATOM 198 CD1 LEU A 15 1.113 -9.252 -0.358 1.00 0.00 C ATOM 199 CD2 LEU A 15 1.655 -8.209 -2.566 1.00 0.00 C ATOM 0 H LEU A 15 4.744 -8.488 -0.758 1.00 0.00 H new ATOM 0 HA LEU A 15 3.517 -6.305 -2.159 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.868 -7.489 0.584 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.787 -6.561 -0.436 1.00 0.00 H new ATOM 0 HG LEU A 15 3.057 -9.208 -1.277 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.810 -10.167 -0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.503 -9.499 0.629 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.251 -8.593 -0.253 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.357 -9.126 -3.075 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.792 -7.550 -2.471 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.432 -7.709 -3.145 1.00 0.00 H new ATOM 211 N ARG A 16 4.613 -5.710 0.918 1.00 0.00 N ATOM 212 CA ARG A 16 5.094 -4.647 1.793 1.00 0.00 C ATOM 213 C ARG A 16 6.030 -3.697 1.036 1.00 0.00 C ATOM 214 O ARG A 16 5.841 -2.471 1.052 1.00 0.00 O ATOM 215 CB ARG A 16 5.853 -5.265 2.963 1.00 0.00 C ATOM 216 CG ARG A 16 6.469 -4.150 3.851 1.00 0.00 C ATOM 217 CD ARG A 16 7.958 -3.965 3.522 1.00 0.00 C ATOM 218 NE ARG A 16 8.573 -3.075 4.487 1.00 0.00 N ATOM 219 CZ ARG A 16 9.828 -2.678 4.337 1.00 0.00 C ATOM 220 NH1 ARG A 16 10.525 -3.089 3.312 1.00 0.00 N ATOM 221 NH2 ARG A 16 10.364 -1.880 5.215 1.00 0.00 N ATOM 0 H ARG A 16 4.503 -6.618 1.370 1.00 0.00 H new ATOM 0 HA ARG A 16 4.236 -4.080 2.153 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.180 -5.883 3.557 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.641 -5.920 2.590 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.936 -3.213 3.691 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.352 -4.408 4.903 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.464 -4.931 3.532 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.069 -3.557 2.517 1.00 0.00 H new ATOM 0 HE ARG A 16 8.034 -2.751 5.290 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.103 -3.716 2.627 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.491 -2.783 3.197 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.818 -1.562 6.016 1.00 0.00 H new ATOM 0 HH22 ARG A 16 11.330 -1.573 5.102 1.00 0.00 H new ATOM 235 N VAL A 17 7.025 -4.271 0.357 1.00 0.00 N ATOM 236 CA VAL A 17 7.969 -3.467 -0.413 1.00 0.00 C ATOM 237 C VAL A 17 7.227 -2.696 -1.504 1.00 0.00 C ATOM 238 O VAL A 17 7.545 -1.545 -1.788 1.00 0.00 O ATOM 239 CB VAL A 17 9.030 -4.375 -1.049 1.00 0.00 C ATOM 240 CG1 VAL A 17 9.771 -5.163 0.058 1.00 0.00 C ATOM 241 CG2 VAL A 17 8.341 -5.346 -1.994 1.00 0.00 C ATOM 0 H VAL A 17 7.195 -5.276 0.326 1.00 0.00 H new ATOM 0 HA VAL A 17 8.459 -2.758 0.255 1.00 0.00 H new ATOM 0 HB VAL A 17 9.752 -3.772 -1.600 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.524 -5.807 -0.396 1.00 0.00 H new ATOM 0 HG12 VAL A 17 10.255 -4.464 0.740 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.057 -5.773 0.610 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.085 -5.997 -2.453 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.625 -5.950 -1.437 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.819 -4.788 -2.771 1.00 0.00 H new ATOM 251 N TRP A 18 6.232 -3.331 -2.116 1.00 0.00 N ATOM 252 CA TRP A 18 5.463 -2.662 -3.163 1.00 0.00 C ATOM 253 C TRP A 18 4.799 -1.394 -2.611 1.00 0.00 C ATOM 254 O TRP A 18 4.877 -0.323 -3.210 1.00 0.00 O ATOM 255 CB TRP A 18 4.386 -3.633 -3.714 1.00 0.00 C ATOM 256 CG TRP A 18 3.004 -3.156 -3.337 1.00 0.00 C ATOM 257 CD1 TRP A 18 2.239 -3.644 -2.325 1.00 0.00 C ATOM 258 CD2 TRP A 18 2.227 -2.083 -3.930 1.00 0.00 C ATOM 259 NE1 TRP A 18 1.070 -2.952 -2.268 1.00 0.00 N ATOM 260 CE2 TRP A 18 1.007 -1.981 -3.227 1.00 0.00 C ATOM 261 CE3 TRP A 18 2.448 -1.195 -4.997 1.00 0.00 C ATOM 262 CZ2 TRP A 18 0.057 -1.043 -3.562 1.00 0.00 C ATOM 263 CZ3 TRP A 18 1.488 -0.251 -5.335 1.00 0.00 C ATOM 264 CH2 TRP A 18 0.294 -0.179 -4.616 1.00 0.00 C ATOM 0 H TRP A 18 5.942 -4.288 -1.912 1.00 0.00 H new ATOM 0 HA TRP A 18 6.136 -2.374 -3.971 1.00 0.00 H new ATOM 0 HB2 TRP A 18 4.470 -3.702 -4.799 1.00 0.00 H new ATOM 0 HB3 TRP A 18 4.553 -4.634 -3.317 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.517 -4.455 -1.668 1.00 0.00 H new ATOM 0 HE1 TRP A 18 0.329 -3.136 -1.591 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.370 -1.247 -5.557 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.867 -0.982 -3.006 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.665 0.429 -6.155 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -0.450 0.556 -4.884 1.00 0.00 H new ATOM 275 N LEU A 19 4.130 -1.538 -1.479 1.00 0.00 N ATOM 276 CA LEU A 19 3.433 -0.413 -0.876 1.00 0.00 C ATOM 277 C LEU A 19 4.387 0.741 -0.627 1.00 0.00 C ATOM 278 O LEU A 19 4.215 1.826 -1.177 1.00 0.00 O ATOM 279 CB LEU A 19 2.809 -0.860 0.459 1.00 0.00 C ATOM 280 CG LEU A 19 1.280 -1.083 0.319 1.00 0.00 C ATOM 281 CD1 LEU A 19 0.850 -2.275 1.157 1.00 0.00 C ATOM 282 CD2 LEU A 19 0.523 0.180 0.765 1.00 0.00 C ATOM 0 H LEU A 19 4.055 -2.414 -0.963 1.00 0.00 H new ATOM 0 HA LEU A 19 2.654 -0.076 -1.560 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.284 -1.782 0.794 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.000 -0.106 1.223 1.00 0.00 H new ATOM 0 HG LEU A 19 1.044 -1.285 -0.726 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.225 -2.424 1.053 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.375 -3.167 0.817 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.091 -2.090 2.204 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.550 0.016 0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.760 0.398 1.806 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.822 1.022 0.141 1.00 0.00 H new ATOM 294 N VAL A 20 5.378 0.518 0.218 1.00 0.00 N ATOM 295 CA VAL A 20 6.317 1.580 0.528 1.00 0.00 C ATOM 296 C VAL A 20 7.014 2.066 -0.738 1.00 0.00 C ATOM 297 O VAL A 20 7.087 3.269 -0.991 1.00 0.00 O ATOM 298 CB VAL A 20 7.354 1.062 1.527 1.00 0.00 C ATOM 299 CG1 VAL A 20 8.185 -0.048 0.879 1.00 0.00 C ATOM 300 CG2 VAL A 20 8.270 2.202 1.959 1.00 0.00 C ATOM 0 H VAL A 20 5.551 -0.368 0.692 1.00 0.00 H new ATOM 0 HA VAL A 20 5.773 2.418 0.964 1.00 0.00 H new ATOM 0 HB VAL A 20 6.840 0.664 2.402 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.922 -0.415 1.593 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.530 -0.867 0.582 1.00 0.00 H new ATOM 0 HG13 VAL A 20 8.696 0.346 0.000 1.00 0.00 H new ATOM 0 HG21 VAL A 20 9.006 1.828 2.670 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.782 2.608 1.087 1.00 0.00 H new ATOM 0 HG23 VAL A 20 7.677 2.987 2.430 1.00 0.00 H new ATOM 310 N ASP A 21 7.533 1.131 -1.523 1.00 0.00 N ATOM 311 CA ASP A 21 8.240 1.490 -2.743 1.00 0.00 C ATOM 312 C ASP A 21 7.325 2.281 -3.672 1.00 0.00 C ATOM 313 O ASP A 21 7.774 3.181 -4.390 1.00 0.00 O ATOM 314 CB ASP A 21 8.721 0.221 -3.453 1.00 0.00 C ATOM 315 CG ASP A 21 9.552 0.585 -4.674 1.00 0.00 C ATOM 316 OD1 ASP A 21 10.603 1.178 -4.495 1.00 0.00 O ATOM 317 OD2 ASP A 21 9.128 0.262 -5.771 1.00 0.00 O ATOM 0 H ASP A 21 7.478 0.129 -1.339 1.00 0.00 H new ATOM 0 HA ASP A 21 9.098 2.109 -2.482 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.314 -0.385 -2.768 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.865 -0.383 -3.754 1.00 0.00 H new ATOM 322 N CYS A 22 6.040 1.946 -3.643 1.00 0.00 N ATOM 323 CA CYS A 22 5.069 2.635 -4.482 1.00 0.00 C ATOM 324 C CYS A 22 4.985 4.102 -4.094 1.00 0.00 C ATOM 325 O CYS A 22 5.013 4.982 -4.956 1.00 0.00 O ATOM 326 CB CYS A 22 3.693 1.987 -4.343 1.00 0.00 C ATOM 327 SG CYS A 22 2.455 2.983 -5.201 1.00 0.00 S ATOM 0 H CYS A 22 5.650 1.210 -3.054 1.00 0.00 H new ATOM 0 HA CYS A 22 5.395 2.559 -5.519 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.713 0.979 -4.758 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.430 1.893 -3.289 1.00 0.00 H new ATOM 0 HG CYS A 22 1.580 2.201 -5.760 1.00 0.00 H new ATOM 333 N VAL A 23 4.879 4.366 -2.797 1.00 0.00 N ATOM 334 CA VAL A 23 4.791 5.745 -2.327 1.00 0.00 C ATOM 335 C VAL A 23 6.079 6.496 -2.677 1.00 0.00 C ATOM 336 O VAL A 23 6.036 7.601 -3.215 1.00 0.00 O ATOM 337 CB VAL A 23 4.591 5.764 -0.815 1.00 0.00 C ATOM 338 CG1 VAL A 23 4.446 7.214 -0.309 1.00 0.00 C ATOM 339 CG2 VAL A 23 3.333 4.973 -0.448 1.00 0.00 C ATOM 0 H VAL A 23 4.852 3.658 -2.063 1.00 0.00 H new ATOM 0 HA VAL A 23 3.944 6.231 -2.812 1.00 0.00 H new ATOM 0 HB VAL A 23 5.462 5.308 -0.345 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.304 7.210 0.772 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.347 7.777 -0.554 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.585 7.681 -0.786 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.195 4.990 0.633 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.466 5.423 -0.932 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.441 3.942 -0.784 1.00 0.00 H new ATOM 349 N ALA A 24 7.227 5.894 -2.361 1.00 0.00 N ATOM 350 CA ALA A 24 8.510 6.528 -2.642 1.00 0.00 C ATOM 351 C ALA A 24 8.539 7.038 -4.071 1.00 0.00 C ATOM 352 O ALA A 24 8.835 8.202 -4.311 1.00 0.00 O ATOM 353 CB ALA A 24 9.641 5.522 -2.436 1.00 0.00 C ATOM 0 H ALA A 24 7.292 4.979 -1.915 1.00 0.00 H new ATOM 0 HA ALA A 24 8.643 7.368 -1.961 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.597 6.001 -2.647 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.632 5.170 -1.404 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.502 4.676 -3.109 1.00 0.00 H new ATOM 359 N GLY A 25 8.233 6.161 -5.017 1.00 0.00 N ATOM 360 CA GLY A 25 8.229 6.554 -6.422 1.00 0.00 C ATOM 361 C GLY A 25 7.182 7.633 -6.679 1.00 0.00 C ATOM 362 O GLY A 25 7.437 8.601 -7.397 1.00 0.00 O ATOM 0 H GLY A 25 7.987 5.186 -4.843 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.215 6.923 -6.704 1.00 0.00 H new ATOM 0 HA3 GLY A 25 8.023 5.685 -7.047 1.00 0.00 H new ATOM 366 N HIS A 26 6.001 7.461 -6.095 1.00 0.00 N ATOM 367 CA HIS A 26 4.927 8.425 -6.282 1.00 0.00 C ATOM 368 C HIS A 26 5.381 9.823 -5.878 1.00 0.00 C ATOM 369 O HIS A 26 5.269 10.765 -6.661 1.00 0.00 O ATOM 370 CB HIS A 26 3.720 8.028 -5.426 1.00 0.00 C ATOM 371 CG HIS A 26 2.700 9.131 -5.423 1.00 0.00 C ATOM 372 ND1 HIS A 26 2.459 9.917 -6.535 1.00 0.00 N ATOM 373 CD2 HIS A 26 1.869 9.602 -4.440 1.00 0.00 C ATOM 374 CE1 HIS A 26 1.516 10.815 -6.204 1.00 0.00 C ATOM 375 NE2 HIS A 26 1.120 10.670 -4.934 1.00 0.00 N ATOM 0 H HIS A 26 5.766 6.671 -5.494 1.00 0.00 H new ATOM 0 HA HIS A 26 4.652 8.430 -7.337 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.275 7.112 -5.815 1.00 0.00 H new ATOM 0 HB3 HIS A 26 4.042 7.818 -4.406 1.00 0.00 H new ATOM 0 HD1 HIS A 26 2.915 9.831 -7.443 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.804 9.207 -3.437 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.126 11.562 -6.880 1.00 0.00 H new ATOM 384 N LEU A 27 5.882 9.962 -4.655 1.00 0.00 N ATOM 385 CA LEU A 27 6.333 11.267 -4.182 1.00 0.00 C ATOM 386 C LEU A 27 7.743 11.562 -4.669 1.00 0.00 C ATOM 387 O LEU A 27 8.088 12.709 -4.940 1.00 0.00 O ATOM 388 CB LEU A 27 6.283 11.271 -2.651 1.00 0.00 C ATOM 389 CG LEU A 27 4.859 11.618 -2.164 1.00 0.00 C ATOM 390 CD1 LEU A 27 4.613 11.008 -0.778 1.00 0.00 C ATOM 391 CD2 LEU A 27 4.705 13.144 -2.078 1.00 0.00 C ATOM 0 H LEU A 27 5.985 9.202 -3.983 1.00 0.00 H new ATOM 0 HA LEU A 27 5.680 12.045 -4.578 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.578 10.294 -2.268 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.996 11.996 -2.259 1.00 0.00 H new ATOM 0 HG LEU A 27 4.134 11.211 -2.870 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.606 11.259 -0.444 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.718 9.924 -0.834 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.340 11.407 -0.071 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.700 13.389 -1.734 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.436 13.545 -1.376 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.869 13.582 -3.062 1.00 0.00 H new ATOM 403 N GLY A 28 8.555 10.522 -4.767 1.00 0.00 N ATOM 404 CA GLY A 28 9.943 10.657 -5.212 1.00 0.00 C ATOM 405 C GLY A 28 10.924 10.618 -4.040 1.00 0.00 C ATOM 406 O GLY A 28 12.137 10.621 -4.241 1.00 0.00 O ATOM 0 H GLY A 28 8.279 9.566 -4.544 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.180 9.854 -5.911 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.061 11.596 -5.753 1.00 0.00 H new ATOM 410 N LEU A 29 10.398 10.574 -2.821 1.00 0.00 N ATOM 411 CA LEU A 29 11.240 10.523 -1.630 1.00 0.00 C ATOM 412 C LEU A 29 11.903 9.159 -1.513 1.00 0.00 C ATOM 413 O LEU A 29 11.758 8.313 -2.394 1.00 0.00 O ATOM 414 CB LEU A 29 10.411 10.804 -0.377 1.00 0.00 C ATOM 415 CG LEU A 29 9.679 12.135 -0.534 1.00 0.00 C ATOM 416 CD1 LEU A 29 8.802 12.387 0.695 1.00 0.00 C ATOM 417 CD2 LEU A 29 10.694 13.283 -0.691 1.00 0.00 C ATOM 0 H LEU A 29 9.396 10.573 -2.631 1.00 0.00 H new ATOM 0 HA LEU A 29 12.011 11.288 -1.721 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.693 10.000 -0.216 1.00 0.00 H new ATOM 0 HB3 LEU A 29 11.058 10.835 0.500 1.00 0.00 H new ATOM 0 HG LEU A 29 9.052 12.093 -1.425 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.280 13.337 0.581 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.073 11.582 0.793 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.427 12.421 1.587 1.00 0.00 H new ATOM 0 HD21 LEU A 29 10.161 14.227 -0.802 1.00 0.00 H new ATOM 0 HD22 LEU A 29 11.332 13.328 0.192 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.309 13.107 -1.574 1.00 0.00 H new ATOM 429 N ASP A 30 12.634 8.954 -0.424 1.00 0.00 N ATOM 430 CA ASP A 30 13.320 7.682 -0.197 1.00 0.00 C ATOM 431 C ASP A 30 12.403 6.697 0.518 1.00 0.00 C ATOM 432 O ASP A 30 11.755 7.045 1.505 1.00 0.00 O ATOM 433 CB ASP A 30 14.576 7.909 0.638 1.00 0.00 C ATOM 434 CG ASP A 30 15.413 6.639 0.672 1.00 0.00 C ATOM 435 OD1 ASP A 30 14.936 5.624 0.194 1.00 0.00 O ATOM 436 OD2 ASP A 30 16.525 6.700 1.173 1.00 0.00 O ATOM 0 H ASP A 30 12.768 9.646 0.313 1.00 0.00 H new ATOM 0 HA ASP A 30 13.598 7.264 -1.165 1.00 0.00 H new ATOM 0 HB2 ASP A 30 15.159 8.728 0.217 1.00 0.00 H new ATOM 0 HB3 ASP A 30 14.301 8.201 1.652 1.00 0.00 H new ATOM 441 N ALA A 31 12.354 5.470 0.011 1.00 0.00 N ATOM 442 CA ALA A 31 11.510 4.438 0.601 1.00 0.00 C ATOM 443 C ALA A 31 11.859 4.200 2.063 1.00 0.00 C ATOM 444 O ALA A 31 10.975 3.944 2.893 1.00 0.00 O ATOM 445 CB ALA A 31 11.667 3.128 -0.169 1.00 0.00 C ATOM 0 H ALA A 31 12.887 5.167 -0.804 1.00 0.00 H new ATOM 0 HA ALA A 31 10.478 4.785 0.542 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.032 2.364 0.280 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.374 3.279 -1.208 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.707 2.805 -0.129 1.00 0.00 H new ATOM 451 N ALA A 32 13.143 4.314 2.384 1.00 0.00 N ATOM 452 CA ALA A 32 13.603 4.100 3.747 1.00 0.00 C ATOM 453 C ALA A 32 13.035 5.129 4.705 1.00 0.00 C ATOM 454 O ALA A 32 13.016 4.912 5.916 1.00 0.00 O ATOM 455 CB ALA A 32 15.128 4.153 3.789 1.00 0.00 C ATOM 0 H ALA A 32 13.880 4.553 1.720 1.00 0.00 H new ATOM 0 HA ALA A 32 13.251 3.118 4.064 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.470 3.992 4.812 1.00 0.00 H new ATOM 0 HB2 ALA A 32 15.537 3.376 3.143 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.468 5.129 3.442 1.00 0.00 H new ATOM 461 N THR A 33 12.584 6.253 4.164 1.00 0.00 N ATOM 462 CA THR A 33 12.024 7.320 4.989 1.00 0.00 C ATOM 463 C THR A 33 10.676 7.761 4.458 1.00 0.00 C ATOM 464 O THR A 33 10.362 8.955 4.449 1.00 0.00 O ATOM 465 CB THR A 33 12.991 8.503 5.026 1.00 0.00 C ATOM 466 OG1 THR A 33 13.495 8.739 3.722 1.00 0.00 O ATOM 467 CG2 THR A 33 14.155 8.186 5.974 1.00 0.00 C ATOM 0 H THR A 33 12.594 6.451 3.163 1.00 0.00 H new ATOM 0 HA THR A 33 11.881 6.940 6.001 1.00 0.00 H new ATOM 0 HB THR A 33 12.466 9.390 5.381 1.00 0.00 H new ATOM 0 HG1 THR A 33 14.114 9.498 3.743 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.844 9.030 5.999 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.768 8.003 6.976 1.00 0.00 H new ATOM 0 HG23 THR A 33 14.681 7.299 5.620 1.00 0.00 H new ATOM 475 N ILE A 34 9.866 6.801 4.025 1.00 0.00 N ATOM 476 CA ILE A 34 8.543 7.146 3.521 1.00 0.00 C ATOM 477 C ILE A 34 7.582 7.378 4.677 1.00 0.00 C ATOM 478 O ILE A 34 7.215 8.514 4.976 1.00 0.00 O ATOM 479 CB ILE A 34 8.021 6.010 2.608 1.00 0.00 C ATOM 480 CG1 ILE A 34 8.474 6.281 1.170 1.00 0.00 C ATOM 481 CG2 ILE A 34 6.491 5.914 2.626 1.00 0.00 C ATOM 482 CD1 ILE A 34 7.715 7.472 0.555 1.00 0.00 C ATOM 0 H ILE A 34 10.093 5.807 4.012 1.00 0.00 H new ATOM 0 HA ILE A 34 8.612 8.066 2.941 1.00 0.00 H new ATOM 0 HB ILE A 34 8.426 5.070 2.982 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.545 6.484 1.157 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.311 5.391 0.562 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.170 5.104 1.972 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.151 5.716 3.642 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.063 6.854 2.277 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.061 7.636 -0.465 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.647 7.257 0.545 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.899 8.367 1.149 1.00 0.00 H new ATOM 494 N ALA A 35 7.159 6.289 5.297 1.00 0.00 N ATOM 495 CA ALA A 35 6.213 6.367 6.390 1.00 0.00 C ATOM 496 C ALA A 35 5.776 4.974 6.813 1.00 0.00 C ATOM 497 O ALA A 35 4.695 4.808 7.362 1.00 0.00 O ATOM 498 CB ALA A 35 4.974 7.186 5.978 1.00 0.00 C ATOM 0 H ALA A 35 7.457 5.343 5.060 1.00 0.00 H new ATOM 0 HA ALA A 35 6.706 6.861 7.227 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.275 7.233 6.813 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.280 8.196 5.704 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.490 6.709 5.126 1.00 0.00 H new ATOM 504 N THR A 36 6.596 3.968 6.529 1.00 0.00 N ATOM 505 CA THR A 36 6.257 2.587 6.872 1.00 0.00 C ATOM 506 C THR A 36 5.533 2.518 8.210 1.00 0.00 C ATOM 507 O THR A 36 4.530 1.818 8.340 1.00 0.00 O ATOM 508 CB THR A 36 7.543 1.765 6.980 1.00 0.00 C ATOM 509 OG1 THR A 36 8.111 1.967 8.268 1.00 0.00 O ATOM 510 CG2 THR A 36 8.538 2.216 5.909 1.00 0.00 C ATOM 0 H THR A 36 7.497 4.079 6.064 1.00 0.00 H new ATOM 0 HA THR A 36 5.606 2.192 6.092 1.00 0.00 H new ATOM 0 HB THR A 36 7.316 0.709 6.834 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.935 1.443 8.348 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.452 1.627 5.990 1.00 0.00 H new ATOM 0 HG22 THR A 36 8.100 2.071 4.921 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.772 3.271 6.051 1.00 0.00 H new ATOM 518 N ASP A 37 6.039 3.245 9.204 1.00 0.00 N ATOM 519 CA ASP A 37 5.424 3.253 10.530 1.00 0.00 C ATOM 520 C ASP A 37 4.623 4.528 10.755 1.00 0.00 C ATOM 521 O ASP A 37 4.380 4.925 11.893 1.00 0.00 O ATOM 522 CB ASP A 37 6.513 3.139 11.588 1.00 0.00 C ATOM 523 CG ASP A 37 7.559 4.235 11.393 1.00 0.00 C ATOM 524 OD1 ASP A 37 7.454 4.963 10.418 1.00 0.00 O ATOM 525 OD2 ASP A 37 8.448 4.329 12.221 1.00 0.00 O ATOM 0 H ASP A 37 6.868 3.833 9.118 1.00 0.00 H new ATOM 0 HA ASP A 37 4.742 2.406 10.602 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.073 3.219 12.582 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.987 2.159 11.527 1.00 0.00 H new ATOM 530 N LEU A 38 4.215 5.172 9.668 1.00 0.00 N ATOM 531 CA LEU A 38 3.436 6.402 9.758 1.00 0.00 C ATOM 532 C LEU A 38 2.303 6.407 8.730 1.00 0.00 C ATOM 533 O LEU A 38 2.413 5.798 7.666 1.00 0.00 O ATOM 534 CB LEU A 38 4.346 7.620 9.522 1.00 0.00 C ATOM 535 CG LEU A 38 5.121 7.948 10.808 1.00 0.00 C ATOM 536 CD1 LEU A 38 6.401 8.702 10.455 1.00 0.00 C ATOM 537 CD2 LEU A 38 4.258 8.815 11.729 1.00 0.00 C ATOM 0 H LEU A 38 4.410 4.864 8.715 1.00 0.00 H new ATOM 0 HA LEU A 38 3.003 6.456 10.757 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.043 7.413 8.710 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.748 8.479 9.218 1.00 0.00 H new ATOM 0 HG LEU A 38 5.373 7.019 11.320 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.950 8.934 11.368 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.021 8.083 9.806 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.147 9.628 9.939 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.813 9.044 12.639 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.000 9.743 11.218 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.346 8.276 11.986 1.00 0.00 H new ATOM 549 N PRO A 39 1.231 7.096 9.027 1.00 0.00 N ATOM 550 CA PRO A 39 0.067 7.204 8.104 1.00 0.00 C ATOM 551 C PRO A 39 0.414 8.006 6.846 1.00 0.00 C ATOM 552 O PRO A 39 1.525 8.518 6.711 1.00 0.00 O ATOM 553 CB PRO A 39 -1.003 7.921 8.949 1.00 0.00 C ATOM 554 CG PRO A 39 -0.239 8.666 9.999 1.00 0.00 C ATOM 555 CD PRO A 39 1.004 7.837 10.282 1.00 0.00 C ATOM 0 HA PRO A 39 -0.265 6.233 7.736 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.597 8.600 8.338 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.695 7.207 9.397 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.029 9.664 9.652 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -0.838 8.792 10.901 1.00 0.00 H new ATOM 0 HD2 PRO A 39 1.856 8.468 10.533 1.00 0.00 H new ATOM 0 HD3 PRO A 39 0.850 7.161 11.123 1.00 0.00 H new ATOM 563 N LEU A 40 -0.550 8.116 5.939 1.00 0.00 N ATOM 564 CA LEU A 40 -0.352 8.860 4.714 1.00 0.00 C ATOM 565 C LEU A 40 -0.352 10.361 4.988 1.00 0.00 C ATOM 566 O LEU A 40 0.180 11.145 4.205 1.00 0.00 O ATOM 567 CB LEU A 40 -1.463 8.516 3.706 1.00 0.00 C ATOM 568 CG LEU A 40 -2.799 9.144 4.146 1.00 0.00 C ATOM 569 CD1 LEU A 40 -3.853 8.892 3.079 1.00 0.00 C ATOM 570 CD2 LEU A 40 -3.244 8.527 5.476 1.00 0.00 C ATOM 0 H LEU A 40 -1.475 7.697 6.035 1.00 0.00 H new ATOM 0 HA LEU A 40 0.616 8.583 4.296 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.191 8.881 2.716 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.570 7.434 3.628 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.671 10.218 4.277 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.799 9.336 3.390 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.533 9.341 2.138 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.984 7.818 2.943 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.189 8.973 5.786 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.373 7.452 5.353 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.487 8.717 6.237 1.00 0.00 H new ATOM 582 N THR A 41 -0.959 10.755 6.101 1.00 0.00 N ATOM 583 CA THR A 41 -1.045 12.162 6.448 1.00 0.00 C ATOM 584 C THR A 41 0.322 12.811 6.391 1.00 0.00 C ATOM 585 O THR A 41 0.449 13.946 5.945 1.00 0.00 O ATOM 586 CB THR A 41 -1.628 12.323 7.850 1.00 0.00 C ATOM 587 OG1 THR A 41 -0.806 11.635 8.780 1.00 0.00 O ATOM 588 CG2 THR A 41 -3.043 11.743 7.891 1.00 0.00 C ATOM 0 H THR A 41 -1.395 10.123 6.772 1.00 0.00 H new ATOM 0 HA THR A 41 -1.698 12.652 5.726 1.00 0.00 H new ATOM 0 HB THR A 41 -1.667 13.381 8.108 1.00 0.00 H new ATOM 0 HG1 THR A 41 -1.176 11.737 9.682 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.455 11.860 8.893 1.00 0.00 H new ATOM 0 HG22 THR A 41 -3.673 12.271 7.175 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.010 10.684 7.634 1.00 0.00 H new ATOM 596 N SER A 42 1.339 12.098 6.858 1.00 0.00 N ATOM 597 CA SER A 42 2.696 12.630 6.867 1.00 0.00 C ATOM 598 C SER A 42 3.021 13.312 5.545 1.00 0.00 C ATOM 599 O SER A 42 3.730 14.316 5.514 1.00 0.00 O ATOM 600 CB SER A 42 3.694 11.493 7.109 1.00 0.00 C ATOM 601 OG SER A 42 5.017 12.013 7.072 1.00 0.00 O ATOM 0 H SER A 42 1.251 11.154 7.234 1.00 0.00 H new ATOM 0 HA SER A 42 2.770 13.366 7.667 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.502 11.024 8.074 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.573 10.720 6.350 1.00 0.00 H new ATOM 0 HG SER A 42 5.658 11.288 7.228 1.00 0.00 H new ATOM 607 N TYR A 43 2.498 12.768 4.455 1.00 0.00 N ATOM 608 CA TYR A 43 2.741 13.340 3.135 1.00 0.00 C ATOM 609 C TYR A 43 2.138 14.731 3.025 1.00 0.00 C ATOM 610 O TYR A 43 2.342 15.422 2.031 1.00 0.00 O ATOM 611 CB TYR A 43 2.129 12.430 2.067 1.00 0.00 C ATOM 612 CG TYR A 43 2.589 10.998 2.271 1.00 0.00 C ATOM 613 CD1 TYR A 43 3.924 10.713 2.610 1.00 0.00 C ATOM 614 CD2 TYR A 43 1.676 9.944 2.123 1.00 0.00 C ATOM 615 CE1 TYR A 43 4.332 9.399 2.803 1.00 0.00 C ATOM 616 CE2 TYR A 43 2.097 8.624 2.315 1.00 0.00 C ATOM 617 CZ TYR A 43 3.418 8.354 2.656 1.00 0.00 C ATOM 618 OH TYR A 43 3.814 7.050 2.841 1.00 0.00 O ATOM 0 H TYR A 43 1.906 11.937 4.456 1.00 0.00 H new ATOM 0 HA TYR A 43 3.818 13.420 2.984 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.041 12.481 2.116 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.420 12.775 1.075 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.635 11.519 2.721 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.649 10.151 1.861 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.357 9.186 3.067 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.394 7.812 2.198 1.00 0.00 H new ATOM 0 HH TYR A 43 3.050 6.453 2.700 1.00 0.00 H new ATOM 628 N GLY A 44 1.416 15.137 4.052 1.00 0.00 N ATOM 629 CA GLY A 44 0.807 16.455 4.064 1.00 0.00 C ATOM 630 C GLY A 44 -0.235 16.572 2.962 1.00 0.00 C ATOM 631 O GLY A 44 -0.647 17.670 2.597 1.00 0.00 O ATOM 0 H GLY A 44 1.237 14.577 4.885 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.342 16.638 5.033 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.574 17.218 3.929 1.00 0.00 H new ATOM 635 N LEU A 45 -0.663 15.433 2.440 1.00 0.00 N ATOM 636 CA LEU A 45 -1.669 15.415 1.388 1.00 0.00 C ATOM 637 C LEU A 45 -3.090 15.526 1.966 1.00 0.00 C ATOM 638 O LEU A 45 -3.423 14.917 2.980 1.00 0.00 O ATOM 639 CB LEU A 45 -1.524 14.106 0.574 1.00 0.00 C ATOM 640 CG LEU A 45 -2.472 12.999 1.110 1.00 0.00 C ATOM 641 CD1 LEU A 45 -2.453 11.783 0.189 1.00 0.00 C ATOM 642 CD2 LEU A 45 -2.034 12.592 2.533 1.00 0.00 C ATOM 0 H LEU A 45 -0.331 14.512 2.726 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.511 16.277 0.739 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.746 14.301 -0.475 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.492 13.758 0.622 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.489 13.389 1.140 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.123 11.019 0.582 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.782 12.077 -0.808 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.440 11.384 0.134 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.699 11.815 2.910 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.012 12.213 2.505 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.081 13.460 3.190 1.00 0.00 H new ATOM 654 N ASP A 46 -3.930 16.275 1.292 1.00 0.00 N ATOM 655 CA ASP A 46 -5.314 16.413 1.726 1.00 0.00 C ATOM 656 C ASP A 46 -6.127 15.179 1.319 1.00 0.00 C ATOM 657 O ASP A 46 -5.655 14.318 0.573 1.00 0.00 O ATOM 658 CB ASP A 46 -5.929 17.665 1.108 1.00 0.00 C ATOM 659 CG ASP A 46 -5.380 18.908 1.793 1.00 0.00 C ATOM 660 OD1 ASP A 46 -4.791 18.767 2.852 1.00 0.00 O ATOM 661 OD2 ASP A 46 -5.554 19.982 1.246 1.00 0.00 O ATOM 0 H ASP A 46 -3.690 16.796 0.449 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.332 16.502 2.812 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.708 17.700 0.041 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.014 17.634 1.208 1.00 0.00 H new ATOM 666 N SER A 47 -7.351 15.102 1.825 1.00 0.00 N ATOM 667 CA SER A 47 -8.236 13.980 1.523 1.00 0.00 C ATOM 668 C SER A 47 -8.480 13.869 0.021 1.00 0.00 C ATOM 669 O SER A 47 -8.681 12.776 -0.507 1.00 0.00 O ATOM 670 CB SER A 47 -9.574 14.149 2.242 1.00 0.00 C ATOM 671 OG SER A 47 -9.339 14.378 3.623 1.00 0.00 O ATOM 0 H SER A 47 -7.755 15.802 2.447 1.00 0.00 H new ATOM 0 HA SER A 47 -7.750 13.068 1.871 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.128 14.984 1.812 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.187 13.257 2.109 1.00 0.00 H new ATOM 0 HG SER A 47 -9.084 13.536 4.055 1.00 0.00 H new ATOM 677 N VAL A 48 -8.463 15.008 -0.658 1.00 0.00 N ATOM 678 CA VAL A 48 -8.690 15.035 -2.100 1.00 0.00 C ATOM 679 C VAL A 48 -7.779 14.040 -2.805 1.00 0.00 C ATOM 680 O VAL A 48 -8.088 13.574 -3.895 1.00 0.00 O ATOM 681 CB VAL A 48 -8.418 16.436 -2.646 1.00 0.00 C ATOM 682 CG1 VAL A 48 -6.924 16.770 -2.495 1.00 0.00 C ATOM 683 CG2 VAL A 48 -8.808 16.490 -4.128 1.00 0.00 C ATOM 0 H VAL A 48 -8.295 15.922 -0.238 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.729 14.762 -2.286 1.00 0.00 H new ATOM 0 HB VAL A 48 -9.007 17.163 -2.087 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.733 17.770 -2.885 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.648 16.733 -1.441 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.331 16.044 -3.051 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -8.615 17.489 -4.519 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.219 15.762 -4.686 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -9.868 16.258 -4.234 1.00 0.00 H new ATOM 693 N TYR A 49 -6.654 13.725 -2.177 1.00 0.00 N ATOM 694 CA TYR A 49 -5.707 12.771 -2.746 1.00 0.00 C ATOM 695 C TYR A 49 -6.106 11.334 -2.422 1.00 0.00 C ATOM 696 O TYR A 49 -5.803 10.413 -3.175 1.00 0.00 O ATOM 697 CB TYR A 49 -4.309 13.037 -2.211 1.00 0.00 C ATOM 698 CG TYR A 49 -3.799 14.343 -2.761 1.00 0.00 C ATOM 699 CD1 TYR A 49 -3.521 14.463 -4.126 1.00 0.00 C ATOM 700 CD2 TYR A 49 -3.599 15.426 -1.911 1.00 0.00 C ATOM 701 CE1 TYR A 49 -3.045 15.675 -4.636 1.00 0.00 C ATOM 702 CE2 TYR A 49 -3.123 16.635 -2.414 1.00 0.00 C ATOM 703 CZ TYR A 49 -2.845 16.764 -3.780 1.00 0.00 C ATOM 704 OH TYR A 49 -2.378 17.963 -4.286 1.00 0.00 O ATOM 0 H TYR A 49 -6.374 14.114 -1.276 1.00 0.00 H new ATOM 0 HA TYR A 49 -5.718 12.899 -3.828 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.326 13.071 -1.122 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.639 12.225 -2.494 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -3.674 13.621 -4.785 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -3.814 15.329 -0.857 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -2.832 15.771 -5.690 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -2.968 17.473 -1.750 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.296 18.615 -3.559 1.00 0.00 H new ATOM 714 N ALA A 50 -6.776 11.144 -1.292 1.00 0.00 N ATOM 715 CA ALA A 50 -7.187 9.810 -0.873 1.00 0.00 C ATOM 716 C ALA A 50 -7.888 9.067 -2.003 1.00 0.00 C ATOM 717 O ALA A 50 -7.613 7.894 -2.247 1.00 0.00 O ATOM 718 CB ALA A 50 -8.133 9.914 0.324 1.00 0.00 C ATOM 0 H ALA A 50 -7.045 11.892 -0.653 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.292 9.253 -0.596 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.438 8.915 0.634 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.622 10.410 1.149 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.014 10.491 0.043 1.00 0.00 H new ATOM 724 N LEU A 51 -8.786 9.756 -2.690 1.00 0.00 N ATOM 725 CA LEU A 51 -9.512 9.147 -3.798 1.00 0.00 C ATOM 726 C LEU A 51 -8.568 8.814 -4.952 1.00 0.00 C ATOM 727 O LEU A 51 -8.655 7.738 -5.546 1.00 0.00 O ATOM 728 CB LEU A 51 -10.605 10.099 -4.282 1.00 0.00 C ATOM 729 CG LEU A 51 -9.975 11.443 -4.723 1.00 0.00 C ATOM 730 CD1 LEU A 51 -9.880 11.500 -6.248 1.00 0.00 C ATOM 731 CD2 LEU A 51 -10.835 12.605 -4.224 1.00 0.00 C ATOM 0 H LEU A 51 -9.029 10.729 -2.504 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.964 8.220 -3.446 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.147 9.651 -5.115 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.329 10.271 -3.485 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.975 11.521 -4.297 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.436 12.449 -6.550 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.259 10.679 -6.605 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -10.878 11.414 -6.678 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -10.388 13.549 -4.536 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -11.838 12.522 -4.643 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -10.893 12.574 -3.136 1.00 0.00 H new ATOM 743 N SER A 52 -7.667 9.744 -5.267 1.00 0.00 N ATOM 744 CA SER A 52 -6.720 9.540 -6.353 1.00 0.00 C ATOM 745 C SER A 52 -5.692 8.481 -5.991 1.00 0.00 C ATOM 746 O SER A 52 -5.473 7.529 -6.739 1.00 0.00 O ATOM 747 CB SER A 52 -6.012 10.860 -6.676 1.00 0.00 C ATOM 748 OG SER A 52 -5.476 10.792 -7.992 1.00 0.00 O ATOM 0 H SER A 52 -7.576 10.639 -4.787 1.00 0.00 H new ATOM 0 HA SER A 52 -7.272 9.195 -7.228 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.713 11.691 -6.598 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.216 11.046 -5.955 1.00 0.00 H new ATOM 0 HG SER A 52 -5.023 11.635 -8.205 1.00 0.00 H new ATOM 754 N ILE A 53 -5.056 8.658 -4.843 1.00 0.00 N ATOM 755 CA ILE A 53 -4.040 7.716 -4.399 1.00 0.00 C ATOM 756 C ILE A 53 -4.637 6.330 -4.205 1.00 0.00 C ATOM 757 O ILE A 53 -4.191 5.364 -4.817 1.00 0.00 O ATOM 758 CB ILE A 53 -3.424 8.204 -3.079 1.00 0.00 C ATOM 759 CG1 ILE A 53 -2.862 9.629 -3.254 1.00 0.00 C ATOM 760 CG2 ILE A 53 -2.302 7.252 -2.643 1.00 0.00 C ATOM 761 CD1 ILE A 53 -1.454 9.575 -3.869 1.00 0.00 C ATOM 0 H ILE A 53 -5.223 9.438 -4.207 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.266 7.655 -5.164 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.198 8.219 -2.312 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.524 10.212 -3.894 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.826 10.134 -2.289 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.870 7.604 -1.706 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.709 6.251 -2.501 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.529 7.224 -3.411 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.069 10.588 -3.987 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.792 9.010 -3.213 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.501 9.089 -4.844 1.00 0.00 H new ATOM 773 N ALA A 54 -5.649 6.245 -3.360 1.00 0.00 N ATOM 774 CA ALA A 54 -6.294 4.966 -3.096 1.00 0.00 C ATOM 775 C ALA A 54 -6.706 4.299 -4.403 1.00 0.00 C ATOM 776 O ALA A 54 -6.523 3.088 -4.579 1.00 0.00 O ATOM 777 CB ALA A 54 -7.530 5.177 -2.221 1.00 0.00 C ATOM 0 H ALA A 54 -6.041 7.036 -2.848 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.585 4.321 -2.576 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -8.007 4.216 -2.028 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.233 5.632 -1.276 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -8.232 5.834 -2.735 1.00 0.00 H new ATOM 783 N ALA A 55 -7.241 5.104 -5.323 1.00 0.00 N ATOM 784 CA ALA A 55 -7.665 4.590 -6.618 1.00 0.00 C ATOM 785 C ALA A 55 -6.465 4.152 -7.451 1.00 0.00 C ATOM 786 O ALA A 55 -6.509 3.128 -8.127 1.00 0.00 O ATOM 787 CB ALA A 55 -8.448 5.660 -7.377 1.00 0.00 C ATOM 0 H ALA A 55 -7.388 6.105 -5.193 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.304 3.724 -6.444 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.760 5.265 -8.344 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.328 5.945 -6.800 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.815 6.534 -7.529 1.00 0.00 H new ATOM 793 N GLU A 56 -5.395 4.937 -7.406 1.00 0.00 N ATOM 794 CA GLU A 56 -4.197 4.614 -8.173 1.00 0.00 C ATOM 795 C GLU A 56 -3.567 3.309 -7.681 1.00 0.00 C ATOM 796 O GLU A 56 -3.234 2.414 -8.471 1.00 0.00 O ATOM 797 CB GLU A 56 -3.181 5.757 -8.039 1.00 0.00 C ATOM 798 CG GLU A 56 -1.972 5.480 -8.934 1.00 0.00 C ATOM 799 CD GLU A 56 -0.960 6.613 -8.816 1.00 0.00 C ATOM 800 OE1 GLU A 56 -0.226 6.626 -7.842 1.00 0.00 O ATOM 801 OE2 GLU A 56 -0.931 7.450 -9.703 1.00 0.00 O ATOM 0 H GLU A 56 -5.331 5.792 -6.854 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.479 4.487 -9.218 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.644 6.703 -8.320 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.863 5.854 -7.001 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.507 4.536 -8.648 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.294 5.376 -9.970 1.00 0.00 H new ATOM 808 N LEU A 57 -3.400 3.203 -6.371 1.00 0.00 N ATOM 809 CA LEU A 57 -2.796 2.010 -5.799 1.00 0.00 C ATOM 810 C LEU A 57 -3.581 0.782 -6.189 1.00 0.00 C ATOM 811 O LEU A 57 -3.088 -0.031 -6.947 1.00 0.00 O ATOM 812 CB LEU A 57 -2.786 2.132 -4.272 1.00 0.00 C ATOM 813 CG LEU A 57 -1.974 3.361 -3.850 1.00 0.00 C ATOM 814 CD1 LEU A 57 -2.304 3.710 -2.398 1.00 0.00 C ATOM 815 CD2 LEU A 57 -0.475 3.070 -3.954 1.00 0.00 C ATOM 0 H LEU A 57 -3.669 3.916 -5.694 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.778 1.916 -6.177 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.807 2.215 -3.899 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.357 1.233 -3.830 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.228 4.191 -4.509 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.728 4.584 -2.094 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.368 3.928 -2.309 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.051 2.867 -1.755 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.089 3.952 -3.651 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.220 2.235 -3.301 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.224 2.815 -4.984 1.00 0.00 H new ATOM 827 N GLU A 58 -4.804 0.662 -5.692 1.00 0.00 N ATOM 828 CA GLU A 58 -5.627 -0.507 -6.009 1.00 0.00 C ATOM 829 C GLU A 58 -5.681 -0.763 -7.507 1.00 0.00 C ATOM 830 O GLU A 58 -5.712 -1.913 -7.949 1.00 0.00 O ATOM 831 CB GLU A 58 -7.040 -0.298 -5.481 1.00 0.00 C ATOM 832 CG GLU A 58 -7.634 1.010 -6.055 1.00 0.00 C ATOM 833 CD GLU A 58 -8.505 0.707 -7.272 1.00 0.00 C ATOM 834 OE1 GLU A 58 -8.194 -0.237 -7.977 1.00 0.00 O ATOM 835 OE2 GLU A 58 -9.460 1.435 -7.488 1.00 0.00 O ATOM 0 H GLU A 58 -5.247 1.345 -5.077 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.173 -1.375 -5.532 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.669 -1.144 -5.758 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.027 -0.253 -4.392 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.227 1.514 -5.292 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.830 1.690 -6.335 1.00 0.00 H new ATOM 842 N ASP A 59 -5.690 0.309 -8.286 1.00 0.00 N ATOM 843 CA ASP A 59 -5.747 0.180 -9.739 1.00 0.00 C ATOM 844 C ASP A 59 -4.548 -0.616 -10.238 1.00 0.00 C ATOM 845 O ASP A 59 -4.648 -1.351 -11.219 1.00 0.00 O ATOM 846 CB ASP A 59 -5.757 1.578 -10.383 1.00 0.00 C ATOM 847 CG ASP A 59 -7.178 2.142 -10.437 1.00 0.00 C ATOM 848 OD1 ASP A 59 -8.100 1.425 -10.089 1.00 0.00 O ATOM 849 OD2 ASP A 59 -7.317 3.291 -10.821 1.00 0.00 O ATOM 0 H ASP A 59 -5.659 1.269 -7.943 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.659 -0.348 -10.017 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.116 2.250 -9.813 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.345 1.522 -11.390 1.00 0.00 H new ATOM 854 N HIS A 60 -3.423 -0.470 -9.556 1.00 0.00 N ATOM 855 CA HIS A 60 -2.219 -1.201 -9.946 1.00 0.00 C ATOM 856 C HIS A 60 -2.344 -2.684 -9.603 1.00 0.00 C ATOM 857 O HIS A 60 -1.867 -3.549 -10.341 1.00 0.00 O ATOM 858 CB HIS A 60 -0.994 -0.609 -9.241 1.00 0.00 C ATOM 859 CG HIS A 60 -0.630 0.698 -9.884 1.00 0.00 C ATOM 860 ND1 HIS A 60 -1.583 1.649 -10.215 1.00 0.00 N ATOM 861 CD2 HIS A 60 0.576 1.223 -10.268 1.00 0.00 C ATOM 862 CE1 HIS A 60 -0.938 2.689 -10.773 1.00 0.00 C ATOM 863 NE2 HIS A 60 0.379 2.481 -10.829 1.00 0.00 N ATOM 0 H HIS A 60 -3.314 0.136 -8.743 1.00 0.00 H new ATOM 0 HA HIS A 60 -2.099 -1.105 -11.025 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.207 -0.459 -8.183 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -0.155 -1.303 -9.302 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -2.589 1.574 -10.063 1.00 0.00 H new ATOM 0 HD2 HIS A 60 1.533 0.735 -10.153 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -1.426 3.583 -11.132 1.00 0.00 H new ATOM 872 N LEU A 61 -2.975 -2.966 -8.473 1.00 0.00 N ATOM 873 CA LEU A 61 -3.145 -4.336 -8.015 1.00 0.00 C ATOM 874 C LEU A 61 -4.255 -5.018 -8.733 1.00 0.00 C ATOM 875 O LEU A 61 -4.143 -6.213 -8.956 1.00 0.00 O ATOM 876 CB LEU A 61 -3.409 -4.390 -6.507 1.00 0.00 C ATOM 877 CG LEU A 61 -2.207 -3.803 -5.743 1.00 0.00 C ATOM 878 CD1 LEU A 61 -0.913 -4.524 -6.146 1.00 0.00 C ATOM 879 CD2 LEU A 61 -2.092 -2.310 -6.052 1.00 0.00 C ATOM 0 H LEU A 61 -3.379 -2.262 -7.855 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.213 -4.857 -8.232 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.313 -3.830 -6.267 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.581 -5.420 -6.196 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.361 -3.943 -4.673 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.073 -4.098 -5.598 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.999 -5.585 -5.911 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.747 -4.402 -7.216 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.242 -1.891 -5.513 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.947 -2.170 -7.123 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.005 -1.803 -5.741 1.00 0.00 H new ATOM 891 N ASP A 62 -5.319 -4.264 -9.061 1.00 0.00 N ATOM 892 CA ASP A 62 -6.495 -4.809 -9.750 1.00 0.00 C ATOM 893 C ASP A 62 -7.548 -5.183 -8.723 1.00 0.00 C ATOM 894 O ASP A 62 -7.920 -6.348 -8.609 1.00 0.00 O ATOM 895 CB ASP A 62 -6.129 -6.045 -10.571 1.00 0.00 C ATOM 896 CG ASP A 62 -4.916 -5.728 -11.453 1.00 0.00 C ATOM 897 OD1 ASP A 62 -4.823 -4.603 -11.916 1.00 0.00 O ATOM 898 OD2 ASP A 62 -4.097 -6.615 -11.652 1.00 0.00 O ATOM 0 H ASP A 62 -5.385 -3.267 -8.856 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.881 -4.048 -10.428 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.903 -6.881 -9.909 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.974 -6.348 -11.190 1.00 0.00 H new ATOM 903 N VAL A 63 -8.024 -4.187 -7.979 1.00 0.00 N ATOM 904 CA VAL A 63 -9.025 -4.425 -6.947 1.00 0.00 C ATOM 905 C VAL A 63 -9.742 -3.134 -6.580 1.00 0.00 C ATOM 906 O VAL A 63 -9.347 -2.055 -7.010 1.00 0.00 O ATOM 907 CB VAL A 63 -8.342 -5.004 -5.698 1.00 0.00 C ATOM 908 CG1 VAL A 63 -7.941 -6.459 -5.939 1.00 0.00 C ATOM 909 CG2 VAL A 63 -7.081 -4.193 -5.383 1.00 0.00 C ATOM 0 H VAL A 63 -7.734 -3.214 -8.072 1.00 0.00 H new ATOM 0 HA VAL A 63 -9.760 -5.132 -7.332 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.041 -4.954 -4.864 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.458 -6.856 -5.046 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.830 -7.049 -6.164 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.249 -6.511 -6.779 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.596 -4.603 -4.497 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.395 -4.244 -6.228 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -7.353 -3.154 -5.199 1.00 0.00 H new ATOM 919 N SER A 64 -10.806 -3.252 -5.786 1.00 0.00 N ATOM 920 CA SER A 64 -11.579 -2.083 -5.357 1.00 0.00 C ATOM 921 C SER A 64 -11.496 -1.928 -3.845 1.00 0.00 C ATOM 922 O SER A 64 -11.570 -2.909 -3.105 1.00 0.00 O ATOM 923 CB SER A 64 -13.037 -2.240 -5.772 1.00 0.00 C ATOM 924 OG SER A 64 -13.796 -1.176 -5.211 1.00 0.00 O ATOM 0 H SER A 64 -11.153 -4.141 -5.427 1.00 0.00 H new ATOM 0 HA SER A 64 -11.163 -1.195 -5.833 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.122 -2.231 -6.859 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.424 -3.200 -5.430 1.00 0.00 H new ATOM 0 HG SER A 64 -14.735 -1.269 -5.475 1.00 0.00 H new ATOM 930 N LEU A 65 -11.329 -0.690 -3.393 1.00 0.00 N ATOM 931 CA LEU A 65 -11.222 -0.408 -1.960 1.00 0.00 C ATOM 932 C LEU A 65 -12.507 0.225 -1.452 1.00 0.00 C ATOM 933 O LEU A 65 -13.294 0.763 -2.230 1.00 0.00 O ATOM 934 CB LEU A 65 -10.065 0.553 -1.701 1.00 0.00 C ATOM 935 CG LEU A 65 -8.845 0.122 -2.512 1.00 0.00 C ATOM 936 CD1 LEU A 65 -7.654 1.053 -2.197 1.00 0.00 C ATOM 937 CD2 LEU A 65 -8.483 -1.323 -2.165 1.00 0.00 C ATOM 0 H LEU A 65 -11.265 0.133 -3.992 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.045 -1.348 -1.437 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.355 1.568 -1.974 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.821 0.566 -0.639 1.00 0.00 H new ATOM 0 HG LEU A 65 -9.076 0.188 -3.575 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.786 0.742 -2.778 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.916 2.079 -2.456 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.419 0.996 -1.134 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.612 -1.629 -2.745 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.255 -1.396 -1.102 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.324 -1.975 -2.401 1.00 0.00 H new ATOM 949 N ASP A 66 -12.718 0.153 -0.141 1.00 0.00 N ATOM 950 CA ASP A 66 -13.919 0.723 0.462 1.00 0.00 C ATOM 951 C ASP A 66 -13.629 2.122 0.996 1.00 0.00 C ATOM 952 O ASP A 66 -12.486 2.467 1.254 1.00 0.00 O ATOM 953 CB ASP A 66 -14.414 -0.192 1.604 1.00 0.00 C ATOM 954 CG ASP A 66 -15.656 -0.968 1.168 1.00 0.00 C ATOM 955 OD1 ASP A 66 -15.590 -1.619 0.140 1.00 0.00 O ATOM 956 OD2 ASP A 66 -16.657 -0.887 1.863 1.00 0.00 O ATOM 0 H ASP A 66 -12.079 -0.290 0.519 1.00 0.00 H new ATOM 0 HA ASP A 66 -14.697 0.797 -0.298 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -13.625 -0.888 1.889 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -14.643 0.408 2.485 1.00 0.00 H new ATOM 961 N PRO A 67 -14.647 2.920 1.161 1.00 0.00 N ATOM 962 CA PRO A 67 -14.501 4.319 1.665 1.00 0.00 C ATOM 963 C PRO A 67 -13.886 4.381 3.062 1.00 0.00 C ATOM 964 O PRO A 67 -12.709 4.709 3.221 1.00 0.00 O ATOM 965 CB PRO A 67 -15.949 4.856 1.668 1.00 0.00 C ATOM 966 CG PRO A 67 -16.822 3.639 1.662 1.00 0.00 C ATOM 967 CD PRO A 67 -16.052 2.580 0.890 1.00 0.00 C ATOM 0 HA PRO A 67 -13.823 4.906 1.045 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -16.138 5.472 2.547 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -16.139 5.480 0.795 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -17.034 3.305 2.678 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -17.781 3.848 1.188 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -16.296 1.575 1.233 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -16.276 2.616 -0.176 1.00 0.00 H new ATOM 975 N THR A 68 -14.695 4.072 4.067 1.00 0.00 N ATOM 976 CA THR A 68 -14.231 4.111 5.448 1.00 0.00 C ATOM 977 C THR A 68 -13.065 3.154 5.648 1.00 0.00 C ATOM 978 O THR A 68 -12.366 3.212 6.659 1.00 0.00 O ATOM 979 CB THR A 68 -15.372 3.733 6.395 1.00 0.00 C ATOM 980 OG1 THR A 68 -15.807 2.412 6.103 1.00 0.00 O ATOM 981 CG2 THR A 68 -16.537 4.707 6.214 1.00 0.00 C ATOM 0 H THR A 68 -15.670 3.793 3.954 1.00 0.00 H new ATOM 0 HA THR A 68 -13.897 5.125 5.670 1.00 0.00 H new ATOM 0 HB THR A 68 -15.020 3.783 7.425 1.00 0.00 H new ATOM 0 HG1 THR A 68 -16.537 2.166 6.709 1.00 0.00 H new ATOM 0 HG21 THR A 68 -17.347 4.434 6.890 1.00 0.00 H new ATOM 0 HG22 THR A 68 -16.203 5.720 6.438 1.00 0.00 H new ATOM 0 HG23 THR A 68 -16.892 4.662 5.185 1.00 0.00 H new ATOM 989 N LEU A 69 -12.856 2.282 4.672 1.00 0.00 N ATOM 990 CA LEU A 69 -11.764 1.326 4.743 1.00 0.00 C ATOM 991 C LEU A 69 -10.420 2.007 4.473 1.00 0.00 C ATOM 992 O LEU A 69 -9.414 1.695 5.103 1.00 0.00 O ATOM 993 CB LEU A 69 -11.998 0.201 3.734 1.00 0.00 C ATOM 994 CG LEU A 69 -10.902 -0.873 3.888 1.00 0.00 C ATOM 995 CD1 LEU A 69 -11.394 -2.189 3.283 1.00 0.00 C ATOM 996 CD2 LEU A 69 -9.582 -0.431 3.194 1.00 0.00 C ATOM 0 H LEU A 69 -13.425 2.218 3.828 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.734 0.909 5.749 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.981 -0.243 3.892 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.988 0.601 2.720 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.695 -1.009 4.950 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.621 -2.950 3.390 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.297 -2.513 3.801 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.615 -2.043 2.226 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.827 -1.208 3.319 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.765 -0.271 2.132 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.227 0.496 3.645 1.00 0.00 H new ATOM 1008 N ILE A 70 -10.409 2.944 3.538 1.00 0.00 N ATOM 1009 CA ILE A 70 -9.180 3.647 3.195 1.00 0.00 C ATOM 1010 C ILE A 70 -8.617 4.356 4.419 1.00 0.00 C ATOM 1011 O ILE A 70 -7.410 4.333 4.658 1.00 0.00 O ATOM 1012 CB ILE A 70 -9.462 4.661 2.079 1.00 0.00 C ATOM 1013 CG1 ILE A 70 -9.756 3.914 0.764 1.00 0.00 C ATOM 1014 CG2 ILE A 70 -8.244 5.568 1.886 1.00 0.00 C ATOM 1015 CD1 ILE A 70 -10.557 4.820 -0.175 1.00 0.00 C ATOM 0 H ILE A 70 -11.229 3.235 3.006 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.442 2.925 2.845 1.00 0.00 H new ATOM 0 HB ILE A 70 -10.325 5.267 2.355 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.822 3.615 0.288 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -10.316 3.002 0.970 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.448 6.287 1.093 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -8.036 6.101 2.814 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.379 4.963 1.614 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -10.764 4.289 -1.104 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -11.497 5.097 0.301 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.981 5.720 -0.391 1.00 0.00 H new ATOM 1027 N TRP A 71 -9.494 4.977 5.191 1.00 0.00 N ATOM 1028 CA TRP A 71 -9.072 5.680 6.395 1.00 0.00 C ATOM 1029 C TRP A 71 -8.859 4.690 7.538 1.00 0.00 C ATOM 1030 O TRP A 71 -8.426 5.072 8.623 1.00 0.00 O ATOM 1031 CB TRP A 71 -10.123 6.721 6.794 1.00 0.00 C ATOM 1032 CG TRP A 71 -10.025 7.904 5.886 1.00 0.00 C ATOM 1033 CD1 TRP A 71 -10.941 8.245 4.950 1.00 0.00 C ATOM 1034 CD2 TRP A 71 -8.968 8.903 5.810 1.00 0.00 C ATOM 1035 NE1 TRP A 71 -10.512 9.394 4.306 1.00 0.00 N ATOM 1036 CE2 TRP A 71 -9.300 9.838 4.802 1.00 0.00 C ATOM 1037 CE3 TRP A 71 -7.764 9.089 6.514 1.00 0.00 C ATOM 1038 CZ2 TRP A 71 -8.468 10.916 4.501 1.00 0.00 C ATOM 1039 CZ3 TRP A 71 -6.924 10.174 6.213 1.00 0.00 C ATOM 1040 CH2 TRP A 71 -7.275 11.085 5.209 1.00 0.00 C ATOM 0 H TRP A 71 -10.497 5.010 5.008 1.00 0.00 H new ATOM 0 HA TRP A 71 -8.130 6.189 6.190 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -11.121 6.286 6.735 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -9.970 7.030 7.828 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -11.855 7.710 4.740 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -11.027 9.856 3.557 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -7.484 8.393 7.291 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -8.744 11.616 3.726 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -6.002 10.306 6.759 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -6.625 11.917 4.982 1.00 0.00 H new ATOM 1051 N ASP A 72 -9.172 3.418 7.283 1.00 0.00 N ATOM 1052 CA ASP A 72 -9.013 2.377 8.299 1.00 0.00 C ATOM 1053 C ASP A 72 -7.600 1.818 8.271 1.00 0.00 C ATOM 1054 O ASP A 72 -7.029 1.499 9.312 1.00 0.00 O ATOM 1055 CB ASP A 72 -10.013 1.249 8.060 1.00 0.00 C ATOM 1056 CG ASP A 72 -9.974 0.276 9.232 1.00 0.00 C ATOM 1057 OD1 ASP A 72 -9.115 0.438 10.085 1.00 0.00 O ATOM 1058 OD2 ASP A 72 -10.803 -0.618 9.259 1.00 0.00 O ATOM 0 H ASP A 72 -9.534 3.086 6.389 1.00 0.00 H new ATOM 0 HA ASP A 72 -9.200 2.822 9.277 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -11.017 1.657 7.946 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.774 0.728 7.133 1.00 0.00 H new ATOM 1063 N HIS A 73 -7.034 1.713 7.067 1.00 0.00 N ATOM 1064 CA HIS A 73 -5.668 1.205 6.899 1.00 0.00 C ATOM 1065 C HIS A 73 -4.756 2.277 6.296 1.00 0.00 C ATOM 1066 O HIS A 73 -4.152 2.073 5.248 1.00 0.00 O ATOM 1067 CB HIS A 73 -5.688 -0.026 5.997 1.00 0.00 C ATOM 1068 CG HIS A 73 -6.719 -0.996 6.499 1.00 0.00 C ATOM 1069 ND1 HIS A 73 -7.082 -1.068 7.835 1.00 0.00 N ATOM 1070 CD2 HIS A 73 -7.481 -1.935 5.851 1.00 0.00 C ATOM 1071 CE1 HIS A 73 -8.025 -2.022 7.945 1.00 0.00 C ATOM 1072 NE2 HIS A 73 -8.304 -2.582 6.765 1.00 0.00 N ATOM 0 H HIS A 73 -7.497 1.972 6.196 1.00 0.00 H new ATOM 0 HA HIS A 73 -5.275 0.935 7.879 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.915 0.265 4.971 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -4.705 -0.497 5.984 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -6.704 -0.502 8.595 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -7.446 -2.140 4.791 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -8.499 -2.301 8.875 1.00 0.00 H new ATOM 1081 N PRO A 74 -4.643 3.409 6.945 1.00 0.00 N ATOM 1082 CA PRO A 74 -3.777 4.528 6.473 1.00 0.00 C ATOM 1083 C PRO A 74 -2.296 4.207 6.624 1.00 0.00 C ATOM 1084 O PRO A 74 -1.441 4.979 6.200 1.00 0.00 O ATOM 1085 CB PRO A 74 -4.178 5.701 7.379 1.00 0.00 C ATOM 1086 CG PRO A 74 -4.689 5.063 8.631 1.00 0.00 C ATOM 1087 CD PRO A 74 -5.338 3.755 8.196 1.00 0.00 C ATOM 0 HA PRO A 74 -3.915 4.736 5.412 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -3.327 6.350 7.585 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.943 6.319 6.910 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.878 4.881 9.336 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -5.409 5.709 9.133 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -5.213 2.978 8.950 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.410 3.875 8.037 1.00 0.00 H new ATOM 1095 N THR A 75 -2.002 3.063 7.233 1.00 0.00 N ATOM 1096 CA THR A 75 -0.613 2.641 7.445 1.00 0.00 C ATOM 1097 C THR A 75 -0.274 1.445 6.563 1.00 0.00 C ATOM 1098 O THR A 75 -1.158 0.740 6.080 1.00 0.00 O ATOM 1099 CB THR A 75 -0.403 2.275 8.922 1.00 0.00 C ATOM 1100 OG1 THR A 75 -1.541 1.570 9.396 1.00 0.00 O ATOM 1101 CG2 THR A 75 -0.204 3.548 9.752 1.00 0.00 C ATOM 0 H THR A 75 -2.701 2.410 7.589 1.00 0.00 H new ATOM 0 HA THR A 75 0.047 3.466 7.177 1.00 0.00 H new ATOM 0 HB THR A 75 0.483 1.647 9.017 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.410 1.333 10.338 1.00 0.00 H new ATOM 0 HG21 THR A 75 -0.056 3.281 10.798 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.671 4.087 9.388 1.00 0.00 H new ATOM 0 HG23 THR A 75 -1.085 4.183 9.661 1.00 0.00 H new ATOM 1109 N ILE A 76 1.017 1.229 6.363 1.00 0.00 N ATOM 1110 CA ILE A 76 1.484 0.121 5.540 1.00 0.00 C ATOM 1111 C ILE A 76 1.201 -1.205 6.223 1.00 0.00 C ATOM 1112 O ILE A 76 0.786 -2.166 5.580 1.00 0.00 O ATOM 1113 CB ILE A 76 2.985 0.252 5.272 1.00 0.00 C ATOM 1114 CG1 ILE A 76 3.291 1.658 4.730 1.00 0.00 C ATOM 1115 CG2 ILE A 76 3.421 -0.793 4.238 1.00 0.00 C ATOM 1116 CD1 ILE A 76 2.372 2.006 3.562 1.00 0.00 C ATOM 0 H ILE A 76 1.760 1.805 6.758 1.00 0.00 H new ATOM 0 HA ILE A 76 0.948 0.152 4.591 1.00 0.00 H new ATOM 0 HB ILE A 76 3.529 0.091 6.203 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.168 2.393 5.526 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.331 1.709 4.407 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.490 -0.695 4.051 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.209 -1.792 4.619 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.874 -0.635 3.308 1.00 0.00 H new ATOM 0 HD11 ILE A 76 2.609 3.005 3.197 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.515 1.283 2.759 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.334 1.978 3.895 1.00 0.00 H new ATOM 1128 N ASP A 77 1.437 -1.253 7.527 1.00 0.00 N ATOM 1129 CA ASP A 77 1.216 -2.476 8.283 1.00 0.00 C ATOM 1130 C ASP A 77 -0.184 -3.021 8.025 1.00 0.00 C ATOM 1131 O ASP A 77 -0.350 -4.206 7.733 1.00 0.00 O ATOM 1132 CB ASP A 77 1.381 -2.199 9.779 1.00 0.00 C ATOM 1133 CG ASP A 77 1.001 -3.436 10.590 1.00 0.00 C ATOM 1134 OD1 ASP A 77 -0.180 -3.619 10.836 1.00 0.00 O ATOM 1135 OD2 ASP A 77 1.897 -4.182 10.947 1.00 0.00 O ATOM 0 H ASP A 77 1.779 -0.466 8.079 1.00 0.00 H new ATOM 0 HA ASP A 77 1.949 -3.216 7.962 1.00 0.00 H new ATOM 0 HB2 ASP A 77 2.412 -1.918 9.993 1.00 0.00 H new ATOM 0 HB3 ASP A 77 0.754 -1.357 10.072 1.00 0.00 H new ATOM 1140 N ALA A 78 -1.191 -2.159 8.136 1.00 0.00 N ATOM 1141 CA ALA A 78 -2.566 -2.581 7.914 1.00 0.00 C ATOM 1142 C ALA A 78 -2.797 -2.912 6.448 1.00 0.00 C ATOM 1143 O ALA A 78 -3.379 -3.945 6.117 1.00 0.00 O ATOM 1144 CB ALA A 78 -3.521 -1.468 8.348 1.00 0.00 C ATOM 0 H ALA A 78 -1.080 -1.174 8.376 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.755 -3.477 8.505 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.550 -1.786 8.181 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.374 -1.255 9.407 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.320 -0.569 7.766 1.00 0.00 H new ATOM 1150 N LEU A 79 -2.350 -2.026 5.571 1.00 0.00 N ATOM 1151 CA LEU A 79 -2.540 -2.238 4.149 1.00 0.00 C ATOM 1152 C LEU A 79 -1.921 -3.562 3.714 1.00 0.00 C ATOM 1153 O LEU A 79 -2.548 -4.350 3.005 1.00 0.00 O ATOM 1154 CB LEU A 79 -1.895 -1.075 3.360 1.00 0.00 C ATOM 1155 CG LEU A 79 -2.809 -0.653 2.194 1.00 0.00 C ATOM 1156 CD1 LEU A 79 -3.169 -1.883 1.321 1.00 0.00 C ATOM 1157 CD2 LEU A 79 -4.104 -0.003 2.754 1.00 0.00 C ATOM 0 H LEU A 79 -1.860 -1.166 5.816 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.610 -2.272 3.942 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.724 -0.227 4.023 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.922 -1.381 2.977 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.281 0.072 1.574 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.815 -1.570 0.501 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.257 -2.322 0.917 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.688 -2.622 1.931 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.749 0.295 1.927 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.629 -0.722 3.383 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.844 0.875 3.345 1.00 0.00 H new ATOM 1169 N SER A 80 -0.693 -3.794 4.141 1.00 0.00 N ATOM 1170 CA SER A 80 0.005 -5.020 3.789 1.00 0.00 C ATOM 1171 C SER A 80 -0.720 -6.226 4.372 1.00 0.00 C ATOM 1172 O SER A 80 -0.913 -7.230 3.693 1.00 0.00 O ATOM 1173 CB SER A 80 1.437 -4.977 4.313 1.00 0.00 C ATOM 1174 OG SER A 80 2.103 -6.179 3.956 1.00 0.00 O ATOM 0 H SER A 80 -0.159 -3.154 4.729 1.00 0.00 H new ATOM 0 HA SER A 80 0.024 -5.109 2.703 1.00 0.00 H new ATOM 0 HB2 SER A 80 1.963 -4.118 3.896 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.437 -4.856 5.396 1.00 0.00 H new ATOM 0 HG SER A 80 3.024 -6.154 4.290 1.00 0.00 H new ATOM 1180 N THR A 81 -1.121 -6.112 5.635 1.00 0.00 N ATOM 1181 CA THR A 81 -1.823 -7.198 6.312 1.00 0.00 C ATOM 1182 C THR A 81 -3.095 -7.562 5.545 1.00 0.00 C ATOM 1183 O THR A 81 -3.433 -8.737 5.380 1.00 0.00 O ATOM 1184 CB THR A 81 -2.184 -6.783 7.738 1.00 0.00 C ATOM 1185 OG1 THR A 81 -0.993 -6.522 8.470 1.00 0.00 O ATOM 1186 CG2 THR A 81 -2.963 -7.910 8.417 1.00 0.00 C ATOM 0 H THR A 81 -0.973 -5.282 6.209 1.00 0.00 H new ATOM 0 HA THR A 81 -1.167 -8.067 6.348 1.00 0.00 H new ATOM 0 HB THR A 81 -2.799 -5.884 7.710 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.748 -5.578 8.370 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.220 -7.613 9.434 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.876 -8.111 7.856 1.00 0.00 H new ATOM 0 HG23 THR A 81 -2.349 -8.810 8.446 1.00 0.00 H new ATOM 1194 N ALA A 82 -3.806 -6.549 5.084 1.00 0.00 N ATOM 1195 CA ALA A 82 -5.031 -6.783 4.337 1.00 0.00 C ATOM 1196 C ALA A 82 -4.724 -7.379 2.960 1.00 0.00 C ATOM 1197 O ALA A 82 -5.417 -8.295 2.493 1.00 0.00 O ATOM 1198 CB ALA A 82 -5.788 -5.465 4.159 1.00 0.00 C ATOM 0 H ALA A 82 -3.561 -5.567 5.211 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.643 -7.490 4.897 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.705 -5.645 3.599 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -6.035 -5.053 5.137 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.163 -4.757 3.614 1.00 0.00 H new ATOM 1204 N LEU A 83 -3.691 -6.851 2.304 1.00 0.00 N ATOM 1205 CA LEU A 83 -3.333 -7.328 0.978 1.00 0.00 C ATOM 1206 C LEU A 83 -2.943 -8.802 1.021 1.00 0.00 C ATOM 1207 O LEU A 83 -3.434 -9.604 0.229 1.00 0.00 O ATOM 1208 CB LEU A 83 -2.155 -6.484 0.429 1.00 0.00 C ATOM 1209 CG LEU A 83 -2.283 -6.344 -1.089 1.00 0.00 C ATOM 1210 CD1 LEU A 83 -1.102 -5.538 -1.622 1.00 0.00 C ATOM 1211 CD2 LEU A 83 -2.300 -7.736 -1.729 1.00 0.00 C ATOM 0 H LEU A 83 -3.098 -6.104 2.666 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.196 -7.223 0.321 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.153 -5.499 0.896 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.207 -6.959 0.681 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.210 -5.827 -1.336 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.190 -5.436 -2.704 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.100 -4.549 -1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.172 -6.052 -1.380 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.391 -7.638 -2.811 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.374 -8.258 -1.489 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.147 -8.303 -1.343 1.00 0.00 H new ATOM 1223 N VAL A 84 -2.066 -9.153 1.947 1.00 0.00 N ATOM 1224 CA VAL A 84 -1.628 -10.535 2.070 1.00 0.00 C ATOM 1225 C VAL A 84 -2.809 -11.417 2.456 1.00 0.00 C ATOM 1226 O VAL A 84 -2.876 -12.582 2.070 1.00 0.00 O ATOM 1227 CB VAL A 84 -0.518 -10.647 3.123 1.00 0.00 C ATOM 1228 CG1 VAL A 84 -1.076 -10.301 4.497 1.00 0.00 C ATOM 1229 CG2 VAL A 84 0.042 -12.069 3.137 1.00 0.00 C ATOM 0 H VAL A 84 -1.647 -8.509 2.618 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.233 -10.869 1.111 1.00 0.00 H new ATOM 0 HB VAL A 84 0.282 -9.950 2.874 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.284 -10.382 5.242 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.462 -9.282 4.487 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.881 -10.992 4.747 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.830 -12.142 3.887 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.755 -12.772 3.379 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.452 -12.308 2.156 1.00 0.00 H new ATOM 1239 N ALA A 85 -3.739 -10.848 3.226 1.00 0.00 N ATOM 1240 CA ALA A 85 -4.914 -11.596 3.659 1.00 0.00 C ATOM 1241 C ALA A 85 -5.696 -12.082 2.445 1.00 0.00 C ATOM 1242 O ALA A 85 -6.275 -13.169 2.460 1.00 0.00 O ATOM 1243 CB ALA A 85 -5.804 -10.714 4.533 1.00 0.00 C ATOM 0 H ALA A 85 -3.700 -9.884 3.557 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.590 -12.458 4.242 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.679 -11.282 4.851 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.244 -10.388 5.410 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.125 -9.842 3.963 1.00 0.00 H new ATOM 1249 N GLU A 86 -5.695 -11.271 1.393 1.00 0.00 N ATOM 1250 CA GLU A 86 -6.397 -11.635 0.159 1.00 0.00 C ATOM 1251 C GLU A 86 -5.960 -13.020 -0.320 1.00 0.00 C ATOM 1252 O GLU A 86 -6.624 -13.636 -1.153 1.00 0.00 O ATOM 1253 CB GLU A 86 -6.109 -10.610 -0.939 1.00 0.00 C ATOM 1254 CG GLU A 86 -6.616 -9.239 -0.499 1.00 0.00 C ATOM 1255 CD GLU A 86 -8.134 -9.258 -0.371 1.00 0.00 C ATOM 1256 OE1 GLU A 86 -8.746 -10.146 -0.942 1.00 0.00 O ATOM 1257 OE2 GLU A 86 -8.664 -8.393 0.308 1.00 0.00 O ATOM 0 H GLU A 86 -5.223 -10.367 1.365 1.00 0.00 H new ATOM 0 HA GLU A 86 -7.466 -11.649 0.371 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.038 -10.567 -1.140 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.595 -10.909 -1.867 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -6.166 -8.966 0.456 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.314 -8.482 -1.222 1.00 0.00 H new ATOM 1264 N LEU A 87 -4.839 -13.497 0.210 1.00 0.00 N ATOM 1265 CA LEU A 87 -4.301 -14.810 -0.160 1.00 0.00 C ATOM 1266 C LEU A 87 -4.626 -15.853 0.899 1.00 0.00 C ATOM 1267 O LEU A 87 -4.529 -17.054 0.649 1.00 0.00 O ATOM 1268 CB LEU A 87 -2.786 -14.716 -0.341 1.00 0.00 C ATOM 1269 CG LEU A 87 -2.471 -13.839 -1.556 1.00 0.00 C ATOM 1270 CD1 LEU A 87 -0.984 -13.481 -1.545 1.00 0.00 C ATOM 1271 CD2 LEU A 87 -2.814 -14.587 -2.859 1.00 0.00 C ATOM 0 H LEU A 87 -4.280 -12.995 0.900 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.765 -15.117 -1.098 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.327 -14.295 0.554 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.363 -15.711 -0.478 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.071 -12.930 -1.507 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.754 -12.856 -2.408 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.747 -12.937 -0.630 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.390 -14.394 -1.589 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.585 -13.951 -3.714 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.225 -15.502 -2.919 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.875 -14.837 -2.867 1.00 0.00 H new ATOM 1283 N ARG A 88 -5.007 -15.391 2.083 1.00 0.00 N ATOM 1284 CA ARG A 88 -5.340 -16.297 3.178 1.00 0.00 C ATOM 1285 C ARG A 88 -6.773 -16.787 3.065 1.00 0.00 C ATOM 1286 O ARG A 88 -7.204 -17.644 3.836 1.00 0.00 O ATOM 1287 CB ARG A 88 -5.149 -15.578 4.515 1.00 0.00 C ATOM 1288 CG ARG A 88 -3.677 -15.151 4.671 1.00 0.00 C ATOM 1289 CD ARG A 88 -2.861 -16.297 5.281 1.00 0.00 C ATOM 1290 NE ARG A 88 -3.293 -16.536 6.654 1.00 0.00 N ATOM 1291 CZ ARG A 88 -2.810 -15.813 7.660 1.00 0.00 C ATOM 1292 NH1 ARG A 88 -1.940 -14.871 7.424 1.00 0.00 N ATOM 1293 NH2 ARG A 88 -3.208 -16.046 8.881 1.00 0.00 N ATOM 0 H ARG A 88 -5.093 -14.400 2.310 1.00 0.00 H new ATOM 0 HA ARG A 88 -4.676 -17.160 3.123 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -5.798 -14.704 4.564 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.436 -16.235 5.336 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.264 -14.876 3.700 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -3.611 -14.268 5.307 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.988 -17.202 4.687 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -1.800 -16.050 5.262 1.00 0.00 H new ATOM 0 HE ARG A 88 -3.976 -17.269 6.845 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -1.631 -14.690 6.469 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -1.568 -14.315 8.194 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -3.889 -16.783 9.063 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -2.838 -15.491 9.653 1.00 0.00 H new ATOM 1307 N SER A 89 -7.509 -16.247 2.101 1.00 0.00 N ATOM 1308 CA SER A 89 -8.900 -16.641 1.894 1.00 0.00 C ATOM 1309 C SER A 89 -9.012 -17.621 0.732 1.00 0.00 C ATOM 1310 O SER A 89 -9.861 -17.464 -0.144 1.00 0.00 O ATOM 1311 CB SER A 89 -9.749 -15.404 1.606 1.00 0.00 C ATOM 1312 OG SER A 89 -11.120 -15.779 1.561 1.00 0.00 O ATOM 0 H SER A 89 -7.169 -15.538 1.452 1.00 0.00 H new ATOM 0 HA SER A 89 -9.262 -17.129 2.799 1.00 0.00 H new ATOM 0 HB2 SER A 89 -9.590 -14.651 2.378 1.00 0.00 H new ATOM 0 HB3 SER A 89 -9.451 -14.956 0.658 1.00 0.00 H new ATOM 0 HG SER A 89 -11.253 -16.449 0.859 1.00 0.00 H new ATOM 1318 N ALA A 90 -8.150 -18.632 0.733 1.00 0.00 N ATOM 1319 CA ALA A 90 -8.162 -19.634 -0.328 1.00 0.00 C ATOM 1320 C ALA A 90 -8.170 -18.965 -1.698 1.00 0.00 C ATOM 1321 O ALA A 90 -9.237 -18.868 -2.282 1.00 0.00 O ATOM 1322 CB ALA A 90 -9.397 -20.527 -0.186 1.00 0.00 C ATOM 1323 OXT ALA A 90 -7.110 -18.558 -2.143 1.00 0.00 O ATOM 0 H ALA A 90 -7.440 -18.780 1.450 1.00 0.00 H new ATOM 0 HA ALA A 90 -7.261 -20.241 -0.240 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -9.400 -21.273 -0.981 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -9.374 -21.028 0.782 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -10.297 -19.917 -0.257 1.00 0.00 H new TER 1329 ALA A 90