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 4:sc= -6.7! USER MOD Set 1.2: A 26 HIS : no HD1:sc= -3.56! C(o=-10!,f=-20!) 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=-0.12) 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 180:sc= 0.0842 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -52:sc= -1.7! USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.267 USER MOD Single : A 41 THR OG1 : rot -130:sc= -0.524 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 165:sc= -2.33! 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 X(o=0,f=-0.011) 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= -2.73 K(o=-2.7,f=-3.5!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0292 USER MOD Single : A 80 SER OG : rot -170:sc= 0 USER MOD Single : A 81 THR OG1 : rot 70:sc= 1.24 USER MOD Single : A 89 SER OG : rot -13:sc= 0.88 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.187 -9.197 -17.249 1.00 0.00 N ATOM 2 CA GLY A 1 14.990 -8.382 -17.603 1.00 0.00 C ATOM 3 C GLY A 1 14.105 -8.216 -16.373 1.00 0.00 C ATOM 4 O GLY A 1 14.368 -7.372 -15.517 1.00 0.00 O ATOM 0 H1 GLY A 1 16.791 -9.310 -18.088 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.724 -8.717 -16.498 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.883 -10.133 -16.913 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.299 -7.406 -17.976 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.431 -8.867 -18.404 1.00 0.00 H new ATOM 10 N HIS A 2 13.054 -9.029 -16.292 1.00 0.00 N ATOM 11 CA HIS A 2 12.129 -8.969 -15.161 1.00 0.00 C ATOM 12 C HIS A 2 11.859 -7.520 -14.759 1.00 0.00 C ATOM 13 O HIS A 2 12.083 -7.131 -13.613 1.00 0.00 O ATOM 14 CB HIS A 2 12.718 -9.726 -13.969 1.00 0.00 C ATOM 15 CG HIS A 2 12.839 -11.185 -14.313 1.00 0.00 C ATOM 16 ND1 HIS A 2 13.959 -11.702 -14.947 1.00 0.00 N ATOM 17 CD2 HIS A 2 11.994 -12.249 -14.118 1.00 0.00 C ATOM 18 CE1 HIS A 2 13.759 -13.022 -15.111 1.00 0.00 C ATOM 19 NE2 HIS A 2 12.576 -13.408 -14.622 1.00 0.00 N ATOM 0 H HIS A 2 12.822 -9.734 -16.992 1.00 0.00 H new ATOM 0 HA HIS A 2 11.188 -9.431 -15.462 1.00 0.00 H new ATOM 0 HB2 HIS A 2 13.696 -9.319 -13.713 1.00 0.00 H new ATOM 0 HB3 HIS A 2 12.081 -9.599 -13.093 1.00 0.00 H new ATOM 0 HD2 HIS A 2 11.025 -12.195 -13.645 1.00 0.00 H new ATOM 0 HE1 HIS A 2 14.467 -13.689 -15.580 1.00 0.00 H new ATOM 0 HE2 HIS A 2 12.184 -14.350 -14.619 1.00 0.00 H new ATOM 28 N MET A 3 11.386 -6.726 -15.714 1.00 0.00 N ATOM 29 CA MET A 3 11.093 -5.321 -15.452 1.00 0.00 C ATOM 30 C MET A 3 9.980 -5.187 -14.419 1.00 0.00 C ATOM 31 O MET A 3 10.050 -4.348 -13.523 1.00 0.00 O ATOM 32 CB MET A 3 10.676 -4.627 -16.751 1.00 0.00 C ATOM 33 CG MET A 3 11.829 -4.674 -17.758 1.00 0.00 C ATOM 34 SD MET A 3 11.909 -6.323 -18.504 1.00 0.00 S ATOM 35 CE MET A 3 12.986 -5.890 -19.893 1.00 0.00 C ATOM 0 H MET A 3 11.198 -7.028 -16.670 1.00 0.00 H new ATOM 0 HA MET A 3 11.993 -4.848 -15.059 1.00 0.00 H new ATOM 0 HB2 MET A 3 9.796 -5.116 -17.169 1.00 0.00 H new ATOM 0 HB3 MET A 3 10.400 -3.592 -16.549 1.00 0.00 H new ATOM 0 HG2 MET A 3 11.682 -3.920 -18.531 1.00 0.00 H new ATOM 0 HG3 MET A 3 12.771 -4.442 -17.261 1.00 0.00 H new ATOM 0 HE1 MET A 3 13.171 -6.776 -20.500 1.00 0.00 H new ATOM 0 HE2 MET A 3 12.503 -5.127 -20.504 1.00 0.00 H new ATOM 0 HE3 MET A 3 13.933 -5.506 -19.513 1.00 0.00 H new ATOM 45 N SER A 4 8.956 -6.025 -14.553 1.00 0.00 N ATOM 46 CA SER A 4 7.832 -5.992 -13.624 1.00 0.00 C ATOM 47 C SER A 4 6.774 -7.018 -14.021 1.00 0.00 C ATOM 48 O SER A 4 6.278 -7.010 -15.149 1.00 0.00 O ATOM 49 CB SER A 4 7.211 -4.596 -13.607 1.00 0.00 C ATOM 50 OG SER A 4 5.876 -4.684 -13.127 1.00 0.00 O ATOM 0 H SER A 4 8.881 -6.728 -15.288 1.00 0.00 H new ATOM 0 HA SER A 4 8.202 -6.238 -12.629 1.00 0.00 H new ATOM 0 HB2 SER A 4 7.796 -3.932 -12.970 1.00 0.00 H new ATOM 0 HB3 SER A 4 7.222 -4.168 -14.609 1.00 0.00 H new ATOM 0 HG SER A 4 5.474 -3.790 -13.113 1.00 0.00 H new ATOM 56 N ASP A 5 6.430 -7.896 -13.085 1.00 0.00 N ATOM 57 CA ASP A 5 5.432 -8.920 -13.341 1.00 0.00 C ATOM 58 C ASP A 5 4.917 -9.510 -12.030 1.00 0.00 C ATOM 59 O ASP A 5 3.791 -9.236 -11.614 1.00 0.00 O ATOM 60 CB ASP A 5 6.036 -10.022 -14.202 1.00 0.00 C ATOM 61 CG ASP A 5 7.384 -10.470 -13.641 1.00 0.00 C ATOM 62 OD1 ASP A 5 8.091 -9.635 -13.100 1.00 0.00 O ATOM 63 OD2 ASP A 5 7.686 -11.647 -13.756 1.00 0.00 O ATOM 0 H ASP A 5 6.828 -7.917 -12.146 1.00 0.00 H new ATOM 0 HA ASP A 5 4.594 -8.465 -13.868 1.00 0.00 H new ATOM 0 HB2 ASP A 5 5.354 -10.871 -14.245 1.00 0.00 H new ATOM 0 HB3 ASP A 5 6.163 -9.663 -15.223 1.00 0.00 H new ATOM 68 N LEU A 6 5.748 -10.325 -11.391 1.00 0.00 N ATOM 69 CA LEU A 6 5.373 -10.955 -10.131 1.00 0.00 C ATOM 70 C LEU A 6 4.263 -11.979 -10.351 1.00 0.00 C ATOM 71 O LEU A 6 3.239 -11.684 -10.968 1.00 0.00 O ATOM 72 CB LEU A 6 4.921 -9.872 -9.110 1.00 0.00 C ATOM 73 CG LEU A 6 5.663 -10.031 -7.782 1.00 0.00 C ATOM 74 CD1 LEU A 6 5.358 -8.825 -6.881 1.00 0.00 C ATOM 75 CD2 LEU A 6 5.192 -11.324 -7.101 1.00 0.00 C ATOM 0 H LEU A 6 6.682 -10.564 -11.723 1.00 0.00 H new ATOM 0 HA LEU A 6 6.241 -11.477 -9.729 1.00 0.00 H new ATOM 0 HB2 LEU A 6 5.109 -8.879 -9.520 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.847 -9.950 -8.943 1.00 0.00 H new ATOM 0 HG LEU A 6 6.738 -10.082 -7.958 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.886 -8.936 -5.934 1.00 0.00 H new ATOM 0 HD12 LEU A 6 5.686 -7.910 -7.374 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.285 -8.772 -6.695 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.715 -11.447 -6.153 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.119 -11.269 -6.919 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.407 -12.175 -7.747 1.00 0.00 H new ATOM 87 N SER A 7 4.479 -13.184 -9.840 1.00 0.00 N ATOM 88 CA SER A 7 3.497 -14.244 -9.976 1.00 0.00 C ATOM 89 C SER A 7 2.262 -13.926 -9.140 1.00 0.00 C ATOM 90 O SER A 7 2.167 -12.855 -8.538 1.00 0.00 O ATOM 91 CB SER A 7 4.092 -15.574 -9.518 1.00 0.00 C ATOM 92 OG SER A 7 4.267 -15.551 -8.107 1.00 0.00 O ATOM 0 H SER A 7 5.322 -13.448 -9.330 1.00 0.00 H new ATOM 0 HA SER A 7 3.211 -14.320 -11.025 1.00 0.00 H new ATOM 0 HB2 SER A 7 3.434 -16.396 -9.801 1.00 0.00 H new ATOM 0 HB3 SER A 7 5.048 -15.747 -10.012 1.00 0.00 H new ATOM 0 HG SER A 7 4.647 -16.404 -7.811 1.00 0.00 H new ATOM 98 N THR A 8 1.321 -14.862 -9.113 1.00 0.00 N ATOM 99 CA THR A 8 0.084 -14.677 -8.352 1.00 0.00 C ATOM 100 C THR A 8 0.243 -15.209 -6.931 1.00 0.00 C ATOM 101 O THR A 8 -0.745 -15.459 -6.238 1.00 0.00 O ATOM 102 CB THR A 8 -1.078 -15.403 -9.052 1.00 0.00 C ATOM 103 OG1 THR A 8 -0.894 -15.329 -10.458 1.00 0.00 O ATOM 104 CG2 THR A 8 -2.410 -14.744 -8.674 1.00 0.00 C ATOM 0 H THR A 8 1.387 -15.753 -9.605 1.00 0.00 H new ATOM 0 HA THR A 8 -0.134 -13.610 -8.303 1.00 0.00 H new ATOM 0 HB THR A 8 -1.096 -16.446 -8.736 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.631 -15.792 -10.909 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.228 -15.264 -9.174 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.550 -14.800 -7.594 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.400 -13.699 -8.985 1.00 0.00 H new ATOM 112 N ALA A 9 1.491 -15.383 -6.499 1.00 0.00 N ATOM 113 CA ALA A 9 1.772 -15.888 -5.154 1.00 0.00 C ATOM 114 C ALA A 9 2.829 -15.027 -4.471 1.00 0.00 C ATOM 115 O ALA A 9 3.797 -15.541 -3.906 1.00 0.00 O ATOM 116 CB ALA A 9 2.255 -17.336 -5.230 1.00 0.00 C ATOM 0 H ALA A 9 2.321 -15.183 -7.057 1.00 0.00 H new ATOM 0 HA ALA A 9 0.853 -15.845 -4.569 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.462 -17.704 -4.225 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.484 -17.953 -5.691 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.165 -17.385 -5.829 1.00 0.00 H new ATOM 122 N PRO A 10 2.647 -13.731 -4.500 1.00 0.00 N ATOM 123 CA PRO A 10 3.587 -12.762 -3.862 1.00 0.00 C ATOM 124 C PRO A 10 3.705 -13.013 -2.356 1.00 0.00 C ATOM 125 O PRO A 10 2.755 -13.472 -1.720 1.00 0.00 O ATOM 126 CB PRO A 10 2.958 -11.377 -4.163 1.00 0.00 C ATOM 127 CG PRO A 10 1.537 -11.654 -4.537 1.00 0.00 C ATOM 128 CD PRO A 10 1.524 -13.047 -5.158 1.00 0.00 C ATOM 0 HA PRO A 10 4.604 -12.847 -4.246 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.014 -10.723 -3.292 1.00 0.00 H new ATOM 0 HB3 PRO A 10 3.486 -10.874 -4.973 1.00 0.00 H new ATOM 0 HG2 PRO A 10 0.889 -11.612 -3.662 1.00 0.00 H new ATOM 0 HG3 PRO A 10 1.168 -10.910 -5.243 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.580 -13.559 -4.974 1.00 0.00 H new ATOM 0 HD3 PRO A 10 1.658 -13.005 -6.239 1.00 0.00 H new ATOM 136 N THR A 11 4.878 -12.716 -1.794 1.00 0.00 N ATOM 137 CA THR A 11 5.118 -12.913 -0.363 1.00 0.00 C ATOM 138 C THR A 11 4.920 -11.602 0.386 1.00 0.00 C ATOM 139 O THR A 11 5.082 -10.536 -0.188 1.00 0.00 O ATOM 140 CB THR A 11 6.538 -13.415 -0.140 1.00 0.00 C ATOM 141 OG1 THR A 11 6.778 -14.530 -0.985 1.00 0.00 O ATOM 142 CG2 THR A 11 6.702 -13.830 1.320 1.00 0.00 C ATOM 0 H THR A 11 5.675 -12.339 -2.306 1.00 0.00 H new ATOM 0 HA THR A 11 4.410 -13.651 0.013 1.00 0.00 H new ATOM 0 HB THR A 11 7.251 -12.624 -0.373 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.692 -14.855 -0.846 1.00 0.00 H new ATOM 0 HG21 THR A 11 7.718 -14.190 1.484 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.512 -12.972 1.966 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.993 -14.624 1.554 1.00 0.00 H new ATOM 150 N LEU A 12 4.585 -11.694 1.671 1.00 0.00 N ATOM 151 CA LEU A 12 4.359 -10.503 2.491 1.00 0.00 C ATOM 152 C LEU A 12 5.405 -9.432 2.211 1.00 0.00 C ATOM 153 O LEU A 12 5.122 -8.230 2.262 1.00 0.00 O ATOM 154 CB LEU A 12 4.408 -10.884 3.977 1.00 0.00 C ATOM 155 CG LEU A 12 3.123 -11.624 4.364 1.00 0.00 C ATOM 156 CD1 LEU A 12 3.069 -12.994 3.672 1.00 0.00 C ATOM 157 CD2 LEU A 12 3.079 -11.806 5.886 1.00 0.00 C ATOM 0 H LEU A 12 4.464 -12.577 2.167 1.00 0.00 H new ATOM 0 HA LEU A 12 3.378 -10.100 2.239 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.275 -11.515 4.172 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.521 -9.989 4.588 1.00 0.00 H new ATOM 0 HG LEU A 12 2.262 -11.038 4.042 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.151 -13.509 3.956 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.089 -12.857 2.591 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.929 -13.590 3.978 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.166 -12.332 6.163 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.944 -12.386 6.208 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.096 -10.829 6.370 1.00 0.00 H new ATOM 169 N ASP A 13 6.617 -9.875 1.906 1.00 0.00 N ATOM 170 CA ASP A 13 7.700 -8.954 1.617 1.00 0.00 C ATOM 171 C ASP A 13 7.491 -8.274 0.276 1.00 0.00 C ATOM 172 O ASP A 13 7.860 -7.116 0.109 1.00 0.00 O ATOM 173 CB ASP A 13 9.043 -9.676 1.599 1.00 0.00 C ATOM 174 CG ASP A 13 9.094 -10.689 2.739 1.00 0.00 C ATOM 175 OD1 ASP A 13 8.529 -10.405 3.783 1.00 0.00 O ATOM 176 OD2 ASP A 13 9.691 -11.737 2.551 1.00 0.00 O ATOM 0 H ASP A 13 6.871 -10.861 1.853 1.00 0.00 H new ATOM 0 HA ASP A 13 7.704 -8.204 2.408 1.00 0.00 H new ATOM 0 HB2 ASP A 13 9.183 -10.181 0.643 1.00 0.00 H new ATOM 0 HB3 ASP A 13 9.856 -8.957 1.701 1.00 0.00 H new ATOM 181 N SER A 14 6.903 -8.995 -0.679 1.00 0.00 N ATOM 182 CA SER A 14 6.668 -8.430 -1.997 1.00 0.00 C ATOM 183 C SER A 14 5.675 -7.279 -1.914 1.00 0.00 C ATOM 184 O SER A 14 5.787 -6.279 -2.641 1.00 0.00 O ATOM 185 CB SER A 14 6.144 -9.502 -2.930 1.00 0.00 C ATOM 186 OG SER A 14 4.938 -10.035 -2.415 1.00 0.00 O ATOM 0 H SER A 14 6.586 -9.958 -0.563 1.00 0.00 H new ATOM 0 HA SER A 14 7.611 -8.046 -2.387 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.973 -9.083 -3.922 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.884 -10.294 -3.042 1.00 0.00 H new ATOM 0 HG SER A 14 5.072 -10.308 -1.483 1.00 0.00 H new ATOM 192 N LEU A 15 4.679 -7.419 -1.063 1.00 0.00 N ATOM 193 CA LEU A 15 3.692 -6.375 -0.938 1.00 0.00 C ATOM 194 C LEU A 15 4.273 -5.236 -0.135 1.00 0.00 C ATOM 195 O LEU A 15 4.452 -4.130 -0.641 1.00 0.00 O ATOM 196 CB LEU A 15 2.421 -6.901 -0.274 1.00 0.00 C ATOM 197 CG LEU A 15 1.919 -8.195 -0.975 1.00 0.00 C ATOM 198 CD1 LEU A 15 2.157 -8.167 -2.507 1.00 0.00 C ATOM 199 CD2 LEU A 15 2.602 -9.434 -0.340 1.00 0.00 C ATOM 0 H LEU A 15 4.535 -8.229 -0.460 1.00 0.00 H new ATOM 0 HA LEU A 15 3.424 -6.020 -1.933 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.615 -7.106 0.779 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.644 -6.138 -0.313 1.00 0.00 H new ATOM 0 HG LEU A 15 0.841 -8.255 -0.825 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.789 -9.093 -2.949 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.626 -7.321 -2.942 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.224 -8.068 -2.708 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.247 -10.338 -0.834 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.683 -9.355 -0.460 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.357 -9.481 0.721 1.00 0.00 H new ATOM 211 N ARG A 16 4.558 -5.497 1.122 1.00 0.00 N ATOM 212 CA ARG A 16 5.096 -4.458 1.981 1.00 0.00 C ATOM 213 C ARG A 16 6.043 -3.545 1.191 1.00 0.00 C ATOM 214 O ARG A 16 5.888 -2.317 1.194 1.00 0.00 O ATOM 215 CB ARG A 16 5.856 -5.106 3.124 1.00 0.00 C ATOM 216 CG ARG A 16 6.525 -4.030 4.014 1.00 0.00 C ATOM 217 CD ARG A 16 8.006 -3.839 3.637 1.00 0.00 C ATOM 218 NE ARG A 16 8.670 -3.040 4.653 1.00 0.00 N ATOM 219 CZ ARG A 16 9.075 -3.588 5.790 1.00 0.00 C ATOM 220 NH1 ARG A 16 8.864 -4.856 6.015 1.00 0.00 N ATOM 221 NH2 ARG A 16 9.681 -2.857 6.678 1.00 0.00 N ATOM 0 H ARG A 16 4.430 -6.405 1.570 1.00 0.00 H new ATOM 0 HA ARG A 16 4.275 -3.856 2.370 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.175 -5.710 3.724 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.615 -5.780 2.727 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.995 -3.084 3.906 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.448 -4.321 5.062 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.496 -4.808 3.545 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.084 -3.349 2.666 1.00 0.00 H new ATOM 0 HE ARG A 16 8.826 -2.045 4.489 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.387 -5.426 5.316 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.176 -5.277 6.890 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.843 -1.866 6.498 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.994 -3.274 7.554 1.00 0.00 H new ATOM 235 N VAL A 17 7.006 -4.152 0.493 1.00 0.00 N ATOM 236 CA VAL A 17 7.954 -3.383 -0.313 1.00 0.00 C ATOM 237 C VAL A 17 7.202 -2.593 -1.386 1.00 0.00 C ATOM 238 O VAL A 17 7.522 -1.440 -1.654 1.00 0.00 O ATOM 239 CB VAL A 17 8.961 -4.335 -0.980 1.00 0.00 C ATOM 240 CG1 VAL A 17 9.703 -5.169 0.096 1.00 0.00 C ATOM 241 CG2 VAL A 17 8.184 -5.263 -1.901 1.00 0.00 C ATOM 0 H VAL A 17 7.148 -5.162 0.470 1.00 0.00 H new ATOM 0 HA VAL A 17 8.490 -2.688 0.333 1.00 0.00 H new ATOM 0 HB VAL A 17 9.701 -3.765 -1.542 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.413 -5.839 -0.389 1.00 0.00 H new ATOM 0 HG12 VAL A 17 10.238 -4.500 0.770 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.981 -5.755 0.664 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.873 -5.952 -2.390 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.457 -5.829 -1.318 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.664 -4.674 -2.656 1.00 0.00 H new ATOM 251 N TRP A 18 6.193 -3.210 -2.002 1.00 0.00 N ATOM 252 CA TRP A 18 5.421 -2.511 -3.026 1.00 0.00 C ATOM 253 C TRP A 18 4.797 -1.225 -2.462 1.00 0.00 C ATOM 254 O TRP A 18 4.899 -0.156 -3.059 1.00 0.00 O ATOM 255 CB TRP A 18 4.306 -3.455 -3.570 1.00 0.00 C ATOM 256 CG TRP A 18 2.928 -2.952 -3.200 1.00 0.00 C ATOM 257 CD1 TRP A 18 2.179 -3.357 -2.134 1.00 0.00 C ATOM 258 CD2 TRP A 18 2.143 -1.918 -3.852 1.00 0.00 C ATOM 259 NE1 TRP A 18 1.013 -2.645 -2.107 1.00 0.00 N ATOM 260 CE2 TRP A 18 0.945 -1.750 -3.126 1.00 0.00 C ATOM 261 CE3 TRP A 18 2.341 -1.107 -4.981 1.00 0.00 C ATOM 262 CZ2 TRP A 18 -0.008 -0.839 -3.492 1.00 0.00 C ATOM 263 CZ3 TRP A 18 1.366 -0.180 -5.355 1.00 0.00 C ATOM 264 CH2 TRP A 18 0.195 -0.048 -4.602 1.00 0.00 C ATOM 0 H TRP A 18 5.897 -4.168 -1.816 1.00 0.00 H new ATOM 0 HA TRP A 18 6.091 -2.232 -3.839 1.00 0.00 H new ATOM 0 HB2 TRP A 18 4.388 -3.531 -4.654 1.00 0.00 H new ATOM 0 HB3 TRP A 18 4.449 -4.458 -3.169 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.463 -4.120 -1.424 1.00 0.00 H new ATOM 0 HE1 TRP A 18 0.282 -2.771 -1.406 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.248 -1.200 -5.560 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.915 -0.740 -2.914 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.517 0.437 -6.229 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -0.552 0.676 -4.891 1.00 0.00 H new ATOM 275 N LEU A 19 4.122 -1.357 -1.330 1.00 0.00 N ATOM 276 CA LEU A 19 3.449 -0.222 -0.715 1.00 0.00 C ATOM 277 C LEU A 19 4.432 0.907 -0.462 1.00 0.00 C ATOM 278 O LEU A 19 4.277 1.999 -1.002 1.00 0.00 O ATOM 279 CB LEU A 19 2.814 -0.666 0.616 1.00 0.00 C ATOM 280 CG LEU A 19 1.270 -0.830 0.483 1.00 0.00 C ATOM 281 CD1 LEU A 19 0.810 -2.084 1.214 1.00 0.00 C ATOM 282 CD2 LEU A 19 0.555 0.405 1.058 1.00 0.00 C ATOM 0 H LEU A 19 4.026 -2.235 -0.820 1.00 0.00 H new ATOM 0 HA LEU A 19 2.674 0.138 -1.391 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.256 -1.610 0.934 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.038 0.068 1.390 1.00 0.00 H new ATOM 0 HG LEU A 19 1.018 -0.925 -0.573 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.270 -2.188 1.114 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.300 -2.957 0.783 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.071 -2.006 2.269 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.523 0.280 0.960 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.813 0.517 2.111 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.868 1.294 0.511 1.00 0.00 H new ATOM 294 N VAL A 20 5.432 0.654 0.359 1.00 0.00 N ATOM 295 CA VAL A 20 6.396 1.696 0.661 1.00 0.00 C ATOM 296 C VAL A 20 7.100 2.159 -0.609 1.00 0.00 C ATOM 297 O VAL A 20 7.204 3.358 -0.866 1.00 0.00 O ATOM 298 CB VAL A 20 7.416 1.157 1.663 1.00 0.00 C ATOM 299 CG1 VAL A 20 8.189 -0.008 1.041 1.00 0.00 C ATOM 300 CG2 VAL A 20 8.386 2.265 2.071 1.00 0.00 C ATOM 0 H VAL A 20 5.598 -0.241 0.820 1.00 0.00 H new ATOM 0 HA VAL A 20 5.877 2.552 1.092 1.00 0.00 H new ATOM 0 HB VAL A 20 6.889 0.804 2.550 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.915 -0.388 1.760 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.494 -0.803 0.772 1.00 0.00 H new ATOM 0 HG13 VAL A 20 8.710 0.337 0.148 1.00 0.00 H new ATOM 0 HG21 VAL A 20 9.109 1.871 2.785 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.911 2.632 1.189 1.00 0.00 H new ATOM 0 HG23 VAL A 20 7.831 3.083 2.530 1.00 0.00 H new ATOM 310 N ASP A 21 7.596 1.211 -1.390 1.00 0.00 N ATOM 311 CA ASP A 21 8.306 1.556 -2.610 1.00 0.00 C ATOM 312 C ASP A 21 7.395 2.342 -3.545 1.00 0.00 C ATOM 313 O ASP A 21 7.830 3.279 -4.222 1.00 0.00 O ATOM 314 CB ASP A 21 8.792 0.281 -3.302 1.00 0.00 C ATOM 315 CG ASP A 21 9.676 0.630 -4.492 1.00 0.00 C ATOM 316 OD1 ASP A 21 10.746 1.171 -4.272 1.00 0.00 O ATOM 317 OD2 ASP A 21 9.272 0.342 -5.606 1.00 0.00 O ATOM 0 H ASP A 21 7.521 0.211 -1.204 1.00 0.00 H new ATOM 0 HA ASP A 21 9.166 2.177 -2.357 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.348 -0.335 -2.595 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.938 -0.308 -3.635 1.00 0.00 H new ATOM 322 N CYS A 22 6.128 1.960 -3.569 1.00 0.00 N ATOM 323 CA CYS A 22 5.161 2.635 -4.416 1.00 0.00 C ATOM 324 C CYS A 22 4.985 4.085 -3.980 1.00 0.00 C ATOM 325 O CYS A 22 5.021 5.000 -4.804 1.00 0.00 O ATOM 326 CB CYS A 22 3.818 1.916 -4.351 1.00 0.00 C ATOM 327 SG CYS A 22 2.567 2.928 -5.169 1.00 0.00 S ATOM 0 H CYS A 22 5.748 1.192 -3.016 1.00 0.00 H new ATOM 0 HA CYS A 22 5.532 2.618 -5.441 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.889 0.942 -4.835 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.537 1.737 -3.313 1.00 0.00 H new ATOM 0 HG CYS A 22 3.130 3.979 -5.687 1.00 0.00 H new ATOM 333 N VAL A 23 4.798 4.290 -2.681 1.00 0.00 N ATOM 334 CA VAL A 23 4.621 5.635 -2.159 1.00 0.00 C ATOM 335 C VAL A 23 5.862 6.472 -2.453 1.00 0.00 C ATOM 336 O VAL A 23 5.757 7.615 -2.898 1.00 0.00 O ATOM 337 CB VAL A 23 4.369 5.590 -0.651 1.00 0.00 C ATOM 338 CG1 VAL A 23 4.342 7.018 -0.078 1.00 0.00 C ATOM 339 CG2 VAL A 23 3.029 4.902 -0.367 1.00 0.00 C ATOM 0 H VAL A 23 4.766 3.550 -1.979 1.00 0.00 H new ATOM 0 HA VAL A 23 3.758 6.090 -2.645 1.00 0.00 H new ATOM 0 HB VAL A 23 5.173 5.027 -0.177 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.162 6.976 0.996 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.299 7.504 -0.267 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.546 7.587 -0.557 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.856 4.873 0.709 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.225 5.458 -0.849 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.052 3.885 -0.758 1.00 0.00 H new ATOM 349 N ALA A 24 7.037 5.899 -2.205 1.00 0.00 N ATOM 350 CA ALA A 24 8.281 6.608 -2.456 1.00 0.00 C ATOM 351 C ALA A 24 8.297 7.140 -3.877 1.00 0.00 C ATOM 352 O ALA A 24 8.626 8.295 -4.110 1.00 0.00 O ATOM 353 CB ALA A 24 9.467 5.665 -2.234 1.00 0.00 C ATOM 0 H ALA A 24 7.150 4.955 -1.834 1.00 0.00 H new ATOM 0 HA ALA A 24 8.360 7.448 -1.766 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.398 6.200 -2.423 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.458 5.305 -1.205 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.391 4.818 -2.915 1.00 0.00 H new ATOM 359 N GLY A 25 7.948 6.282 -4.825 1.00 0.00 N ATOM 360 CA GLY A 25 7.935 6.693 -6.222 1.00 0.00 C ATOM 361 C GLY A 25 6.925 7.814 -6.446 1.00 0.00 C ATOM 362 O GLY A 25 7.205 8.783 -7.157 1.00 0.00 O ATOM 0 H GLY A 25 7.675 5.314 -4.658 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.929 7.029 -6.517 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.686 5.841 -6.854 1.00 0.00 H new ATOM 366 N HIS A 26 5.746 7.677 -5.846 1.00 0.00 N ATOM 367 CA HIS A 26 4.702 8.683 -6.002 1.00 0.00 C ATOM 368 C HIS A 26 5.204 10.061 -5.580 1.00 0.00 C ATOM 369 O HIS A 26 5.095 11.021 -6.340 1.00 0.00 O ATOM 370 CB HIS A 26 3.489 8.315 -5.144 1.00 0.00 C ATOM 371 CG HIS A 26 2.779 7.138 -5.744 1.00 0.00 C ATOM 372 ND1 HIS A 26 2.808 6.873 -7.102 1.00 0.00 N ATOM 373 CD2 HIS A 26 2.011 6.148 -5.184 1.00 0.00 C ATOM 374 CE1 HIS A 26 2.076 5.765 -7.315 1.00 0.00 C ATOM 375 NE2 HIS A 26 1.566 5.281 -6.178 1.00 0.00 N ATOM 0 H HIS A 26 5.492 6.887 -5.253 1.00 0.00 H new ATOM 0 HA HIS A 26 4.421 8.714 -7.055 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.808 8.080 -4.129 1.00 0.00 H new ATOM 0 HB3 HIS A 26 2.810 9.165 -5.075 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.786 6.056 -4.132 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.919 5.320 -8.287 1.00 0.00 H new ATOM 0 HE2 HIS A 26 0.978 4.455 -6.064 1.00 0.00 H new ATOM 384 N LEU A 27 5.754 10.165 -4.370 1.00 0.00 N ATOM 385 CA LEU A 27 6.254 11.452 -3.892 1.00 0.00 C ATOM 386 C LEU A 27 7.667 11.713 -4.414 1.00 0.00 C ATOM 387 O LEU A 27 8.041 12.852 -4.692 1.00 0.00 O ATOM 388 CB LEU A 27 6.256 11.443 -2.363 1.00 0.00 C ATOM 389 CG LEU A 27 4.806 11.434 -1.843 1.00 0.00 C ATOM 390 CD1 LEU A 27 4.800 11.115 -0.343 1.00 0.00 C ATOM 391 CD2 LEU A 27 4.129 12.802 -2.082 1.00 0.00 C ATOM 0 H LEU A 27 5.863 9.390 -3.715 1.00 0.00 H new ATOM 0 HA LEU A 27 5.606 12.247 -4.260 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.790 10.567 -1.995 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.783 12.319 -1.985 1.00 0.00 H new ATOM 0 HG LEU A 27 4.248 10.671 -2.386 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.774 11.109 0.024 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.250 10.136 -0.177 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.372 11.873 0.192 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.106 12.772 -1.707 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.685 13.580 -1.558 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.118 13.021 -3.150 1.00 0.00 H new ATOM 403 N GLY A 28 8.442 10.643 -4.541 1.00 0.00 N ATOM 404 CA GLY A 28 9.822 10.725 -5.024 1.00 0.00 C ATOM 405 C GLY A 28 10.817 10.715 -3.862 1.00 0.00 C ATOM 406 O GLY A 28 12.029 10.714 -4.079 1.00 0.00 O ATOM 0 H GLY A 28 8.137 9.696 -4.314 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.028 9.886 -5.689 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.952 11.635 -5.609 1.00 0.00 H new ATOM 410 N LEU A 29 10.309 10.726 -2.632 1.00 0.00 N ATOM 411 CA LEU A 29 11.170 10.730 -1.458 1.00 0.00 C ATOM 412 C LEU A 29 11.863 9.379 -1.305 1.00 0.00 C ATOM 413 O LEU A 29 11.714 8.496 -2.149 1.00 0.00 O ATOM 414 CB LEU A 29 10.347 11.034 -0.207 1.00 0.00 C ATOM 415 CG LEU A 29 9.613 12.372 -0.371 1.00 0.00 C ATOM 416 CD1 LEU A 29 8.735 12.622 0.862 1.00 0.00 C ATOM 417 CD2 LEU A 29 10.624 13.522 -0.527 1.00 0.00 C ATOM 0 H LEU A 29 9.310 10.732 -2.425 1.00 0.00 H new ATOM 0 HA LEU A 29 11.928 11.503 -1.584 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.627 10.234 -0.033 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.999 11.072 0.666 1.00 0.00 H new ATOM 0 HG LEU A 29 8.991 12.330 -1.265 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.212 13.572 0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.008 11.816 0.960 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.361 12.656 1.754 1.00 0.00 H new ATOM 0 HD21 LEU A 29 10.088 14.464 -0.642 1.00 0.00 H new ATOM 0 HD22 LEU A 29 11.258 13.571 0.358 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.242 13.346 -1.407 1.00 0.00 H new ATOM 429 N ASP A 30 12.632 9.234 -0.232 1.00 0.00 N ATOM 430 CA ASP A 30 13.359 7.991 0.018 1.00 0.00 C ATOM 431 C ASP A 30 12.456 6.942 0.665 1.00 0.00 C ATOM 432 O ASP A 30 11.993 7.109 1.797 1.00 0.00 O ATOM 433 CB ASP A 30 14.552 8.263 0.930 1.00 0.00 C ATOM 434 CG ASP A 30 15.603 9.078 0.185 1.00 0.00 C ATOM 435 OD1 ASP A 30 15.531 9.132 -1.032 1.00 0.00 O ATOM 436 OD2 ASP A 30 16.466 9.634 0.842 1.00 0.00 O ATOM 0 H ASP A 30 12.769 9.956 0.476 1.00 0.00 H new ATOM 0 HA ASP A 30 13.705 7.605 -0.941 1.00 0.00 H new ATOM 0 HB2 ASP A 30 14.225 8.802 1.819 1.00 0.00 H new ATOM 0 HB3 ASP A 30 14.983 7.321 1.269 1.00 0.00 H new ATOM 441 N ALA A 31 12.225 5.851 -0.060 1.00 0.00 N ATOM 442 CA ALA A 31 11.386 4.763 0.436 1.00 0.00 C ATOM 443 C ALA A 31 11.928 4.229 1.752 1.00 0.00 C ATOM 444 O ALA A 31 11.172 3.741 2.592 1.00 0.00 O ATOM 445 CB ALA A 31 11.322 3.633 -0.607 1.00 0.00 C ATOM 0 H ALA A 31 12.607 5.696 -0.993 1.00 0.00 H new ATOM 0 HA ALA A 31 10.381 5.148 0.607 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.695 2.825 -0.230 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.899 4.018 -1.535 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.327 3.254 -0.795 1.00 0.00 H new ATOM 451 N ALA A 32 13.238 4.345 1.936 1.00 0.00 N ATOM 452 CA ALA A 32 13.872 3.866 3.154 1.00 0.00 C ATOM 453 C ALA A 32 13.160 4.394 4.385 1.00 0.00 C ATOM 454 O ALA A 32 13.010 3.675 5.372 1.00 0.00 O ATOM 455 CB ALA A 32 15.329 4.312 3.190 1.00 0.00 C ATOM 0 H ALA A 32 13.877 4.764 1.260 1.00 0.00 H new ATOM 0 HA ALA A 32 13.815 2.777 3.157 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.798 3.950 4.105 1.00 0.00 H new ATOM 0 HB2 ALA A 32 15.856 3.905 2.327 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.377 5.401 3.164 1.00 0.00 H new ATOM 461 N THR A 33 12.731 5.652 4.339 1.00 0.00 N ATOM 462 CA THR A 33 12.047 6.251 5.486 1.00 0.00 C ATOM 463 C THR A 33 10.780 6.954 5.052 1.00 0.00 C ATOM 464 O THR A 33 10.403 7.989 5.599 1.00 0.00 O ATOM 465 CB THR A 33 12.991 7.227 6.199 1.00 0.00 C ATOM 466 OG1 THR A 33 13.806 7.876 5.235 1.00 0.00 O ATOM 467 CG2 THR A 33 13.890 6.457 7.184 1.00 0.00 C ATOM 0 H THR A 33 12.841 6.270 3.535 1.00 0.00 H new ATOM 0 HA THR A 33 11.766 5.459 6.180 1.00 0.00 H new ATOM 0 HB THR A 33 12.403 7.964 6.746 1.00 0.00 H new ATOM 0 HG1 THR A 33 14.410 8.502 5.686 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.559 7.155 7.688 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.269 5.951 7.923 1.00 0.00 H new ATOM 0 HG23 THR A 33 14.479 5.720 6.639 1.00 0.00 H new ATOM 475 N ILE A 34 10.121 6.391 4.072 1.00 0.00 N ATOM 476 CA ILE A 34 8.896 7.013 3.607 1.00 0.00 C ATOM 477 C ILE A 34 7.929 7.192 4.766 1.00 0.00 C ATOM 478 O ILE A 34 7.594 8.314 5.144 1.00 0.00 O ATOM 479 CB ILE A 34 8.263 6.177 2.448 1.00 0.00 C ATOM 480 CG1 ILE A 34 8.510 6.904 1.120 1.00 0.00 C ATOM 481 CG2 ILE A 34 6.747 5.918 2.606 1.00 0.00 C ATOM 482 CD1 ILE A 34 7.763 8.254 1.073 1.00 0.00 C ATOM 0 H ILE A 34 10.394 5.534 3.591 1.00 0.00 H new ATOM 0 HA ILE A 34 9.126 8.001 3.208 1.00 0.00 H new ATOM 0 HB ILE A 34 8.745 5.200 2.474 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.579 7.072 0.988 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.182 6.275 0.292 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.388 5.332 1.760 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.566 5.370 3.530 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.217 6.870 2.639 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.958 8.745 0.120 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.692 8.081 1.180 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.111 8.891 1.887 1.00 0.00 H new ATOM 494 N ALA A 35 7.457 6.081 5.282 1.00 0.00 N ATOM 495 CA ALA A 35 6.498 6.109 6.350 1.00 0.00 C ATOM 496 C ALA A 35 6.161 4.697 6.785 1.00 0.00 C ATOM 497 O ALA A 35 5.078 4.464 7.313 1.00 0.00 O ATOM 498 CB ALA A 35 5.205 6.797 5.885 1.00 0.00 C ATOM 0 H ALA A 35 7.726 5.146 4.975 1.00 0.00 H new ATOM 0 HA ALA A 35 6.932 6.661 7.183 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.486 6.812 6.704 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.427 7.819 5.578 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.784 6.249 5.042 1.00 0.00 H new ATOM 504 N THR A 36 7.047 3.734 6.495 1.00 0.00 N ATOM 505 CA THR A 36 6.791 2.334 6.831 1.00 0.00 C ATOM 506 C THR A 36 6.056 2.217 8.161 1.00 0.00 C ATOM 507 O THR A 36 5.109 1.443 8.284 1.00 0.00 O ATOM 508 CB THR A 36 8.123 1.611 6.957 1.00 0.00 C ATOM 509 OG1 THR A 36 8.873 2.214 8.002 1.00 0.00 O ATOM 510 CG2 THR A 36 8.903 1.721 5.646 1.00 0.00 C ATOM 0 H THR A 36 7.940 3.901 6.032 1.00 0.00 H new ATOM 0 HA THR A 36 6.176 1.895 6.046 1.00 0.00 H new ATOM 0 HB THR A 36 7.947 0.558 7.178 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.734 1.755 8.094 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.856 1.201 5.745 1.00 0.00 H new ATOM 0 HG22 THR A 36 8.325 1.270 4.840 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.085 2.771 5.418 1.00 0.00 H new ATOM 518 N ASP A 37 6.494 2.983 9.153 1.00 0.00 N ATOM 519 CA ASP A 37 5.863 2.956 10.476 1.00 0.00 C ATOM 520 C ASP A 37 5.055 4.227 10.720 1.00 0.00 C ATOM 521 O ASP A 37 4.867 4.640 11.866 1.00 0.00 O ATOM 522 CB ASP A 37 6.940 2.819 11.543 1.00 0.00 C ATOM 523 CG ASP A 37 7.926 3.981 11.452 1.00 0.00 C ATOM 524 OD1 ASP A 37 7.796 4.777 10.534 1.00 0.00 O ATOM 525 OD2 ASP A 37 8.801 4.057 12.297 1.00 0.00 O ATOM 0 H ASP A 37 7.279 3.629 9.072 1.00 0.00 H new ATOM 0 HA ASP A 37 5.183 2.105 10.522 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.482 2.799 12.532 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.468 1.874 11.417 1.00 0.00 H new ATOM 530 N LEU A 38 4.586 4.851 9.644 1.00 0.00 N ATOM 531 CA LEU A 38 3.793 6.077 9.761 1.00 0.00 C ATOM 532 C LEU A 38 2.628 6.066 8.766 1.00 0.00 C ATOM 533 O LEU A 38 2.721 5.466 7.693 1.00 0.00 O ATOM 534 CB LEU A 38 4.680 7.307 9.497 1.00 0.00 C ATOM 535 CG LEU A 38 5.472 7.679 10.764 1.00 0.00 C ATOM 536 CD1 LEU A 38 6.739 8.445 10.373 1.00 0.00 C ATOM 537 CD2 LEU A 38 4.613 8.554 11.677 1.00 0.00 C ATOM 0 H LEU A 38 4.738 4.534 8.687 1.00 0.00 H new ATOM 0 HA LEU A 38 3.392 6.128 10.773 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.369 7.098 8.678 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.062 8.149 9.186 1.00 0.00 H new ATOM 0 HG LEU A 38 5.745 6.766 11.293 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.298 8.707 11.272 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.358 7.820 9.730 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.464 9.354 9.839 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.180 8.813 12.571 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.332 9.465 11.149 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.714 8.008 11.963 1.00 0.00 H new ATOM 549 N PRO A 39 1.550 6.733 9.094 1.00 0.00 N ATOM 550 CA PRO A 39 0.360 6.825 8.204 1.00 0.00 C ATOM 551 C PRO A 39 0.646 7.677 6.966 1.00 0.00 C ATOM 552 O PRO A 39 1.729 8.252 6.824 1.00 0.00 O ATOM 553 CB PRO A 39 -0.711 7.476 9.097 1.00 0.00 C ATOM 554 CG PRO A 39 0.054 8.246 10.125 1.00 0.00 C ATOM 555 CD PRO A 39 1.343 7.464 10.356 1.00 0.00 C ATOM 0 HA PRO A 39 0.053 5.854 7.814 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.362 8.131 8.518 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.348 6.723 9.562 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.267 9.257 9.778 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -0.517 8.340 11.049 1.00 0.00 H new ATOM 0 HD2 PRO A 39 2.179 8.129 10.574 1.00 0.00 H new ATOM 0 HD3 PRO A 39 1.250 6.782 11.201 1.00 0.00 H new ATOM 563 N LEU A 40 -0.343 7.766 6.090 1.00 0.00 N ATOM 564 CA LEU A 40 -0.225 8.563 4.878 1.00 0.00 C ATOM 565 C LEU A 40 -0.322 10.049 5.198 1.00 0.00 C ATOM 566 O LEU A 40 0.156 10.893 4.441 1.00 0.00 O ATOM 567 CB LEU A 40 -1.327 8.167 3.879 1.00 0.00 C ATOM 568 CG LEU A 40 -2.710 8.661 4.353 1.00 0.00 C ATOM 569 CD1 LEU A 40 -3.755 8.371 3.272 1.00 0.00 C ATOM 570 CD2 LEU A 40 -3.097 7.956 5.655 1.00 0.00 C ATOM 0 H LEU A 40 -1.241 7.294 6.197 1.00 0.00 H new ATOM 0 HA LEU A 40 0.750 8.370 4.432 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.103 8.589 2.899 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.345 7.083 3.763 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.667 9.735 4.533 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.732 8.720 3.607 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.481 8.888 2.353 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.798 7.298 3.086 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.074 8.310 5.984 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.138 6.880 5.488 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.355 8.176 6.422 1.00 0.00 H new ATOM 582 N THR A 41 -0.972 10.361 6.316 1.00 0.00 N ATOM 583 CA THR A 41 -1.158 11.748 6.716 1.00 0.00 C ATOM 584 C THR A 41 0.167 12.486 6.687 1.00 0.00 C ATOM 585 O THR A 41 0.211 13.679 6.396 1.00 0.00 O ATOM 586 CB THR A 41 -1.756 11.823 8.121 1.00 0.00 C ATOM 587 OG1 THR A 41 -0.925 11.108 9.021 1.00 0.00 O ATOM 588 CG2 THR A 41 -3.158 11.213 8.123 1.00 0.00 C ATOM 0 H THR A 41 -1.375 9.676 6.955 1.00 0.00 H new ATOM 0 HA THR A 41 -1.845 12.218 6.012 1.00 0.00 H new ATOM 0 HB THR A 41 -1.822 12.866 8.431 1.00 0.00 H new ATOM 0 HG1 THR A 41 -1.471 10.490 9.550 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.578 11.270 9.127 1.00 0.00 H new ATOM 0 HG22 THR A 41 -3.795 11.764 7.431 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.101 10.170 7.812 1.00 0.00 H new ATOM 596 N SER A 42 1.244 11.777 7.001 1.00 0.00 N ATOM 597 CA SER A 42 2.567 12.385 7.004 1.00 0.00 C ATOM 598 C SER A 42 2.787 13.204 5.728 1.00 0.00 C ATOM 599 O SER A 42 3.501 14.205 5.744 1.00 0.00 O ATOM 600 CB SER A 42 3.636 11.288 7.101 1.00 0.00 C ATOM 601 OG SER A 42 4.923 11.886 7.064 1.00 0.00 O ATOM 0 H SER A 42 1.228 10.789 7.255 1.00 0.00 H new ATOM 0 HA SER A 42 2.643 13.051 7.864 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.511 10.722 8.024 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.526 10.582 6.278 1.00 0.00 H new ATOM 0 HG SER A 42 5.609 11.189 7.127 1.00 0.00 H new ATOM 607 N TYR A 43 2.169 12.775 4.629 1.00 0.00 N ATOM 608 CA TYR A 43 2.310 13.474 3.353 1.00 0.00 C ATOM 609 C TYR A 43 1.435 14.720 3.316 1.00 0.00 C ATOM 610 O TYR A 43 1.605 15.590 2.459 1.00 0.00 O ATOM 611 CB TYR A 43 1.915 12.533 2.211 1.00 0.00 C ATOM 612 CG TYR A 43 2.479 11.149 2.455 1.00 0.00 C ATOM 613 CD1 TYR A 43 3.779 10.983 2.958 1.00 0.00 C ATOM 614 CD2 TYR A 43 1.695 10.023 2.169 1.00 0.00 C ATOM 615 CE1 TYR A 43 4.285 9.700 3.173 1.00 0.00 C ATOM 616 CE2 TYR A 43 2.208 8.744 2.385 1.00 0.00 C ATOM 617 CZ TYR A 43 3.498 8.586 2.887 1.00 0.00 C ATOM 618 OH TYR A 43 3.993 7.328 3.100 1.00 0.00 O ATOM 0 H TYR A 43 1.569 11.951 4.596 1.00 0.00 H new ATOM 0 HA TYR A 43 3.349 13.781 3.238 1.00 0.00 H new ATOM 0 HB2 TYR A 43 0.829 12.482 2.131 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.287 12.923 1.263 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.387 11.848 3.179 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.694 10.146 1.782 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.285 9.571 3.560 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.605 7.876 2.163 1.00 0.00 H new ATOM 0 HH TYR A 43 3.258 6.680 3.084 1.00 0.00 H new ATOM 628 N GLY A 44 0.528 14.821 4.267 1.00 0.00 N ATOM 629 CA GLY A 44 -0.337 15.986 4.350 1.00 0.00 C ATOM 630 C GLY A 44 -1.214 16.092 3.116 1.00 0.00 C ATOM 631 O GLY A 44 -1.731 17.160 2.798 1.00 0.00 O ATOM 0 H GLY A 44 0.370 14.118 4.989 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.961 15.919 5.241 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.267 16.887 4.451 1.00 0.00 H new ATOM 635 N LEU A 45 -1.373 14.977 2.417 1.00 0.00 N ATOM 636 CA LEU A 45 -2.187 14.951 1.214 1.00 0.00 C ATOM 637 C LEU A 45 -3.639 15.344 1.500 1.00 0.00 C ATOM 638 O LEU A 45 -4.226 14.933 2.500 1.00 0.00 O ATOM 639 CB LEU A 45 -2.137 13.544 0.598 1.00 0.00 C ATOM 640 CG LEU A 45 -3.004 12.551 1.410 1.00 0.00 C ATOM 641 CD1 LEU A 45 -2.926 11.153 0.784 1.00 0.00 C ATOM 642 CD2 LEU A 45 -2.491 12.481 2.850 1.00 0.00 C ATOM 0 H LEU A 45 -0.950 14.082 2.663 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.782 15.682 0.514 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.490 13.582 -0.433 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.106 13.192 0.569 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.038 12.896 1.401 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.539 10.461 1.362 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.292 11.193 -0.242 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.891 10.810 0.787 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.102 11.782 3.420 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.455 12.142 2.851 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.550 13.469 3.306 1.00 0.00 H new ATOM 654 N ASP A 46 -4.218 16.135 0.613 1.00 0.00 N ATOM 655 CA ASP A 46 -5.599 16.553 0.788 1.00 0.00 C ATOM 656 C ASP A 46 -6.533 15.344 0.737 1.00 0.00 C ATOM 657 O ASP A 46 -6.092 14.219 0.495 1.00 0.00 O ATOM 658 CB ASP A 46 -5.982 17.540 -0.309 1.00 0.00 C ATOM 659 CG ASP A 46 -5.279 18.870 -0.076 1.00 0.00 C ATOM 660 OD1 ASP A 46 -4.822 19.091 1.034 1.00 0.00 O ATOM 661 OD2 ASP A 46 -5.200 19.645 -1.012 1.00 0.00 O ATOM 0 H ASP A 46 -3.762 16.497 -0.224 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.697 17.034 1.761 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.706 17.139 -1.284 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.062 17.686 -0.318 1.00 0.00 H new ATOM 666 N SER A 47 -7.821 15.582 0.970 1.00 0.00 N ATOM 667 CA SER A 47 -8.810 14.506 0.945 1.00 0.00 C ATOM 668 C SER A 47 -9.044 14.014 -0.480 1.00 0.00 C ATOM 669 O SER A 47 -9.269 12.824 -0.710 1.00 0.00 O ATOM 670 CB SER A 47 -10.128 15.003 1.538 1.00 0.00 C ATOM 671 OG SER A 47 -9.933 15.327 2.908 1.00 0.00 O ATOM 0 H SER A 47 -8.204 16.505 1.177 1.00 0.00 H new ATOM 0 HA SER A 47 -8.429 13.676 1.539 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.479 15.878 0.992 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.897 14.236 1.439 1.00 0.00 H new ATOM 0 HG SER A 47 -10.776 15.648 3.291 1.00 0.00 H new ATOM 677 N VAL A 48 -8.991 14.936 -1.434 1.00 0.00 N ATOM 678 CA VAL A 48 -9.200 14.590 -2.835 1.00 0.00 C ATOM 679 C VAL A 48 -8.060 13.718 -3.347 1.00 0.00 C ATOM 680 O VAL A 48 -8.224 12.957 -4.300 1.00 0.00 O ATOM 681 CB VAL A 48 -9.296 15.862 -3.683 1.00 0.00 C ATOM 682 CG1 VAL A 48 -9.778 15.504 -5.089 1.00 0.00 C ATOM 683 CG2 VAL A 48 -10.293 16.826 -3.036 1.00 0.00 C ATOM 0 H VAL A 48 -8.806 15.925 -1.264 1.00 0.00 H new ATOM 0 HA VAL A 48 -10.133 14.032 -2.915 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.315 16.334 -3.745 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.846 16.410 -5.692 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.073 14.813 -5.551 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.760 15.034 -5.028 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -10.364 17.733 -3.637 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -11.273 16.351 -2.978 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -9.953 17.081 -2.032 1.00 0.00 H new ATOM 693 N TYR A 49 -6.905 13.844 -2.712 1.00 0.00 N ATOM 694 CA TYR A 49 -5.741 13.068 -3.119 1.00 0.00 C ATOM 695 C TYR A 49 -5.992 11.574 -2.911 1.00 0.00 C ATOM 696 O TYR A 49 -5.768 10.762 -3.805 1.00 0.00 O ATOM 697 CB TYR A 49 -4.501 13.511 -2.307 1.00 0.00 C ATOM 698 CG TYR A 49 -3.298 13.672 -3.215 1.00 0.00 C ATOM 699 CD1 TYR A 49 -3.348 14.591 -4.267 1.00 0.00 C ATOM 700 CD2 TYR A 49 -2.150 12.901 -3.013 1.00 0.00 C ATOM 701 CE1 TYR A 49 -2.251 14.738 -5.118 1.00 0.00 C ATOM 702 CE2 TYR A 49 -1.052 13.048 -3.858 1.00 0.00 C ATOM 703 CZ TYR A 49 -1.101 13.965 -4.915 1.00 0.00 C ATOM 704 OH TYR A 49 -0.020 14.106 -5.759 1.00 0.00 O ATOM 0 H TYR A 49 -6.748 14.469 -1.921 1.00 0.00 H new ATOM 0 HA TYR A 49 -5.559 13.246 -4.179 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.709 14.453 -1.800 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.284 12.774 -1.534 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.235 15.187 -4.422 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.114 12.190 -2.201 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -2.289 15.447 -5.932 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -0.164 12.455 -3.698 1.00 0.00 H new ATOM 0 HH TYR A 49 0.695 13.498 -5.479 1.00 0.00 H new ATOM 714 N ALA A 50 -6.456 11.222 -1.719 1.00 0.00 N ATOM 715 CA ALA A 50 -6.709 9.826 -1.397 1.00 0.00 C ATOM 716 C ALA A 50 -7.486 9.157 -2.512 1.00 0.00 C ATOM 717 O ALA A 50 -7.221 8.012 -2.865 1.00 0.00 O ATOM 718 CB ALA A 50 -7.502 9.729 -0.095 1.00 0.00 C ATOM 0 H ALA A 50 -6.663 11.878 -0.966 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.751 9.319 -1.280 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.688 8.681 0.140 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.932 10.187 0.713 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.453 10.250 -0.208 1.00 0.00 H new ATOM 724 N LEU A 51 -8.437 9.878 -3.076 1.00 0.00 N ATOM 725 CA LEU A 51 -9.236 9.325 -4.155 1.00 0.00 C ATOM 726 C LEU A 51 -8.362 8.971 -5.354 1.00 0.00 C ATOM 727 O LEU A 51 -8.457 7.870 -5.901 1.00 0.00 O ATOM 728 CB LEU A 51 -10.299 10.345 -4.579 1.00 0.00 C ATOM 729 CG LEU A 51 -11.055 9.851 -5.843 1.00 0.00 C ATOM 730 CD1 LEU A 51 -12.552 10.158 -5.710 1.00 0.00 C ATOM 731 CD2 LEU A 51 -10.504 10.553 -7.103 1.00 0.00 C ATOM 0 H LEU A 51 -8.673 10.834 -2.811 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.717 8.414 -3.798 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.006 10.503 -3.764 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.828 11.307 -4.783 1.00 0.00 H new ATOM 0 HG LEU A 51 -10.909 8.775 -5.936 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -13.076 9.809 -6.600 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -12.951 9.650 -4.832 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.695 11.233 -5.604 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -11.042 10.198 -7.982 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -10.637 11.631 -7.007 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.443 10.327 -7.211 1.00 0.00 H new ATOM 743 N SER A 52 -7.507 9.903 -5.752 1.00 0.00 N ATOM 744 CA SER A 52 -6.623 9.673 -6.886 1.00 0.00 C ATOM 745 C SER A 52 -5.586 8.611 -6.562 1.00 0.00 C ATOM 746 O SER A 52 -5.394 7.664 -7.321 1.00 0.00 O ATOM 747 CB SER A 52 -5.916 10.974 -7.256 1.00 0.00 C ATOM 748 OG SER A 52 -5.403 10.869 -8.578 1.00 0.00 O ATOM 0 H SER A 52 -7.407 10.817 -5.311 1.00 0.00 H new ATOM 0 HA SER A 52 -7.226 9.325 -7.725 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.611 11.811 -7.188 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.107 11.174 -6.554 1.00 0.00 H new ATOM 0 HG SER A 52 -4.950 11.703 -8.820 1.00 0.00 H new ATOM 754 N ILE A 53 -4.908 8.786 -5.439 1.00 0.00 N ATOM 755 CA ILE A 53 -3.876 7.840 -5.044 1.00 0.00 C ATOM 756 C ILE A 53 -4.475 6.462 -4.786 1.00 0.00 C ATOM 757 O ILE A 53 -4.036 5.467 -5.358 1.00 0.00 O ATOM 758 CB ILE A 53 -3.182 8.335 -3.774 1.00 0.00 C ATOM 759 CG1 ILE A 53 -2.687 9.776 -3.995 1.00 0.00 C ATOM 760 CG2 ILE A 53 -1.997 7.403 -3.390 1.00 0.00 C ATOM 761 CD1 ILE A 53 -1.754 9.860 -5.202 1.00 0.00 C ATOM 0 H ILE A 53 -5.050 9.562 -4.793 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.153 7.762 -5.856 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.895 8.320 -2.950 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.540 10.438 -4.145 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.165 10.125 -3.104 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.520 7.776 -2.484 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.370 6.394 -3.215 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.270 7.385 -4.202 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.421 10.889 -5.333 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.889 9.217 -5.039 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.285 9.534 -6.096 1.00 0.00 H new ATOM 773 N ALA A 54 -5.475 6.408 -3.916 1.00 0.00 N ATOM 774 CA ALA A 54 -6.097 5.135 -3.591 1.00 0.00 C ATOM 775 C ALA A 54 -6.548 4.431 -4.863 1.00 0.00 C ATOM 776 O ALA A 54 -6.401 3.217 -4.993 1.00 0.00 O ATOM 777 CB ALA A 54 -7.299 5.352 -2.677 1.00 0.00 C ATOM 0 H ALA A 54 -5.866 7.216 -3.431 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.363 4.514 -3.077 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.755 4.391 -2.442 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.973 5.834 -1.755 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -8.029 5.986 -3.180 1.00 0.00 H new ATOM 783 N ALA A 55 -7.085 5.205 -5.805 1.00 0.00 N ATOM 784 CA ALA A 55 -7.543 4.643 -7.071 1.00 0.00 C ATOM 785 C ALA A 55 -6.376 4.062 -7.861 1.00 0.00 C ATOM 786 O ALA A 55 -6.447 2.947 -8.351 1.00 0.00 O ATOM 787 CB ALA A 55 -8.233 5.723 -7.900 1.00 0.00 C ATOM 0 H ALA A 55 -7.212 6.213 -5.716 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.249 3.842 -6.853 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.572 5.296 -8.844 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.089 6.113 -7.349 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.531 6.533 -8.100 1.00 0.00 H new ATOM 793 N GLU A 56 -5.307 4.832 -7.999 1.00 0.00 N ATOM 794 CA GLU A 56 -4.144 4.365 -8.750 1.00 0.00 C ATOM 795 C GLU A 56 -3.503 3.143 -8.082 1.00 0.00 C ATOM 796 O GLU A 56 -3.195 2.138 -8.737 1.00 0.00 O ATOM 797 CB GLU A 56 -3.110 5.488 -8.852 1.00 0.00 C ATOM 798 CG GLU A 56 -3.632 6.590 -9.777 1.00 0.00 C ATOM 799 CD GLU A 56 -2.613 7.722 -9.865 1.00 0.00 C ATOM 800 OE1 GLU A 56 -1.545 7.577 -9.294 1.00 0.00 O ATOM 801 OE2 GLU A 56 -2.917 8.718 -10.499 1.00 0.00 O ATOM 0 H GLU A 56 -5.217 5.770 -7.608 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.480 4.076 -9.746 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.905 5.897 -7.863 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.169 5.094 -9.235 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.823 6.183 -10.770 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.581 6.972 -9.402 1.00 0.00 H new ATOM 808 N LEU A 57 -3.317 3.232 -6.774 1.00 0.00 N ATOM 809 CA LEU A 57 -2.711 2.138 -6.023 1.00 0.00 C ATOM 810 C LEU A 57 -3.484 0.854 -6.220 1.00 0.00 C ATOM 811 O LEU A 57 -2.965 -0.089 -6.780 1.00 0.00 O ATOM 812 CB LEU A 57 -2.697 2.495 -4.536 1.00 0.00 C ATOM 813 CG LEU A 57 -1.790 3.710 -4.287 1.00 0.00 C ATOM 814 CD1 LEU A 57 -2.094 4.289 -2.901 1.00 0.00 C ATOM 815 CD2 LEU A 57 -0.315 3.296 -4.325 1.00 0.00 C ATOM 0 H LEU A 57 -3.574 4.043 -6.212 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.694 1.990 -6.386 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.710 2.714 -4.198 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.344 1.644 -3.954 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.978 4.450 -5.065 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.453 5.152 -2.719 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.139 4.597 -2.856 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.907 3.531 -2.141 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.313 4.169 -4.147 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.127 2.550 -3.553 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.081 2.874 -5.302 1.00 0.00 H new ATOM 827 N GLU A 58 -4.722 0.827 -5.766 1.00 0.00 N ATOM 828 CA GLU A 58 -5.533 -0.375 -5.899 1.00 0.00 C ATOM 829 C GLU A 58 -5.671 -0.801 -7.362 1.00 0.00 C ATOM 830 O GLU A 58 -5.738 -1.991 -7.663 1.00 0.00 O ATOM 831 CB GLU A 58 -6.911 -0.120 -5.317 1.00 0.00 C ATOM 832 CG GLU A 58 -7.616 1.020 -6.098 1.00 0.00 C ATOM 833 CD GLU A 58 -8.600 0.466 -7.131 1.00 0.00 C ATOM 834 OE1 GLU A 58 -8.196 -0.382 -7.910 1.00 0.00 O ATOM 835 OE2 GLU A 58 -9.741 0.898 -7.123 1.00 0.00 O ATOM 0 H GLU A 58 -5.187 1.611 -5.307 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.036 -1.180 -5.357 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.509 -1.030 -5.367 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.826 0.148 -4.264 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.146 1.667 -5.399 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.869 1.636 -6.599 1.00 0.00 H new ATOM 842 N ASP A 59 -5.731 0.177 -8.260 1.00 0.00 N ATOM 843 CA ASP A 59 -5.882 -0.109 -9.686 1.00 0.00 C ATOM 844 C ASP A 59 -4.706 -0.950 -10.174 1.00 0.00 C ATOM 845 O ASP A 59 -4.832 -1.722 -11.122 1.00 0.00 O ATOM 846 CB ASP A 59 -5.948 1.204 -10.483 1.00 0.00 C ATOM 847 CG ASP A 59 -7.361 1.793 -10.456 1.00 0.00 C ATOM 848 OD1 ASP A 59 -8.271 1.107 -10.020 1.00 0.00 O ATOM 849 OD2 ASP A 59 -7.507 2.936 -10.862 1.00 0.00 O ATOM 0 H ASP A 59 -5.678 1.169 -8.030 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.808 -0.664 -9.839 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.243 1.923 -10.065 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.645 1.023 -11.514 1.00 0.00 H new ATOM 854 N HIS A 60 -3.565 -0.799 -9.519 1.00 0.00 N ATOM 855 CA HIS A 60 -2.385 -1.569 -9.904 1.00 0.00 C ATOM 856 C HIS A 60 -2.523 -3.035 -9.467 1.00 0.00 C ATOM 857 O HIS A 60 -2.046 -3.943 -10.150 1.00 0.00 O ATOM 858 CB HIS A 60 -1.118 -0.930 -9.289 1.00 0.00 C ATOM 859 CG HIS A 60 -0.513 0.033 -10.258 1.00 0.00 C ATOM 860 ND1 HIS A 60 -1.276 0.978 -10.914 1.00 0.00 N ATOM 861 CD2 HIS A 60 0.773 0.217 -10.679 1.00 0.00 C ATOM 862 CE1 HIS A 60 -0.449 1.688 -11.695 1.00 0.00 C ATOM 863 NE2 HIS A 60 0.815 1.265 -11.590 1.00 0.00 N ATOM 0 H HIS A 60 -3.428 -0.164 -8.733 1.00 0.00 H new ATOM 0 HA HIS A 60 -2.295 -1.553 -10.990 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.373 -0.415 -8.362 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -0.396 -1.706 -9.035 1.00 0.00 H new ATOM 0 HD2 HIS A 60 1.625 -0.362 -10.354 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -0.765 2.502 -12.331 1.00 0.00 H new ATOM 0 HE2 HIS A 60 1.634 1.633 -12.074 1.00 0.00 H new ATOM 872 N LEU A 61 -3.164 -3.260 -8.324 1.00 0.00 N ATOM 873 CA LEU A 61 -3.346 -4.617 -7.803 1.00 0.00 C ATOM 874 C LEU A 61 -4.736 -5.130 -8.145 1.00 0.00 C ATOM 875 O LEU A 61 -5.209 -6.094 -7.554 1.00 0.00 O ATOM 876 CB LEU A 61 -3.136 -4.641 -6.277 1.00 0.00 C ATOM 877 CG LEU A 61 -1.828 -3.930 -5.901 1.00 0.00 C ATOM 878 CD1 LEU A 61 -0.681 -4.450 -6.769 1.00 0.00 C ATOM 879 CD2 LEU A 61 -1.985 -2.410 -6.085 1.00 0.00 C ATOM 0 H LEU A 61 -3.566 -2.526 -7.741 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.605 -5.267 -8.268 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.976 -4.155 -5.781 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.110 -5.672 -5.924 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.599 -4.137 -4.856 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.243 -3.940 -6.495 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.564 -5.522 -6.613 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.904 -4.259 -7.819 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.053 -1.913 -5.816 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.225 -2.192 -7.126 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.788 -2.047 -5.444 1.00 0.00 H new ATOM 891 N ASP A 62 -5.371 -4.501 -9.130 1.00 0.00 N ATOM 892 CA ASP A 62 -6.701 -4.923 -9.565 1.00 0.00 C ATOM 893 C ASP A 62 -7.595 -5.248 -8.379 1.00 0.00 C ATOM 894 O ASP A 62 -8.026 -6.391 -8.212 1.00 0.00 O ATOM 895 CB ASP A 62 -6.574 -6.159 -10.431 1.00 0.00 C ATOM 896 CG ASP A 62 -5.979 -5.785 -11.789 1.00 0.00 C ATOM 897 OD1 ASP A 62 -5.808 -4.599 -12.031 1.00 0.00 O ATOM 898 OD2 ASP A 62 -5.703 -6.684 -12.564 1.00 0.00 O ATOM 0 H ASP A 62 -4.991 -3.703 -9.639 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.150 -4.103 -10.125 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.940 -6.896 -9.937 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.552 -6.620 -10.567 1.00 0.00 H new ATOM 903 N VAL A 63 -7.870 -4.247 -7.565 1.00 0.00 N ATOM 904 CA VAL A 63 -8.711 -4.429 -6.385 1.00 0.00 C ATOM 905 C VAL A 63 -9.432 -3.135 -6.047 1.00 0.00 C ATOM 906 O VAL A 63 -9.047 -2.066 -6.503 1.00 0.00 O ATOM 907 CB VAL A 63 -7.838 -4.856 -5.188 1.00 0.00 C ATOM 908 CG1 VAL A 63 -7.517 -6.337 -5.281 1.00 0.00 C ATOM 909 CG2 VAL A 63 -6.519 -4.081 -5.198 1.00 0.00 C ATOM 0 H VAL A 63 -7.525 -3.296 -7.695 1.00 0.00 H new ATOM 0 HA VAL A 63 -9.449 -5.203 -6.596 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.389 -4.647 -4.271 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.900 -6.630 -4.431 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.443 -6.911 -5.272 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.977 -6.535 -6.207 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.909 -4.390 -4.349 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.983 -4.288 -6.124 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.724 -3.013 -5.128 1.00 0.00 H new ATOM 919 N SER A 64 -10.498 -3.240 -5.259 1.00 0.00 N ATOM 920 CA SER A 64 -11.271 -2.069 -4.856 1.00 0.00 C ATOM 921 C SER A 64 -11.328 -2.012 -3.334 1.00 0.00 C ATOM 922 O SER A 64 -11.359 -3.047 -2.667 1.00 0.00 O ATOM 923 CB SER A 64 -12.686 -2.148 -5.422 1.00 0.00 C ATOM 924 OG SER A 64 -13.316 -3.330 -4.945 1.00 0.00 O ATOM 0 H SER A 64 -10.846 -4.123 -4.887 1.00 0.00 H new ATOM 0 HA SER A 64 -10.792 -1.170 -5.243 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.259 -1.270 -5.123 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.655 -2.153 -6.512 1.00 0.00 H new ATOM 0 HG SER A 64 -14.226 -3.384 -5.305 1.00 0.00 H new ATOM 930 N LEU A 65 -11.324 -0.795 -2.791 1.00 0.00 N ATOM 931 CA LEU A 65 -11.358 -0.592 -1.335 1.00 0.00 C ATOM 932 C LEU A 65 -12.555 0.266 -0.963 1.00 0.00 C ATOM 933 O LEU A 65 -13.224 0.829 -1.829 1.00 0.00 O ATOM 934 CB LEU A 65 -10.052 0.089 -0.853 1.00 0.00 C ATOM 935 CG LEU A 65 -8.942 -0.147 -1.880 1.00 0.00 C ATOM 936 CD1 LEU A 65 -9.146 0.768 -3.113 1.00 0.00 C ATOM 937 CD2 LEU A 65 -7.581 0.131 -1.225 1.00 0.00 C ATOM 0 H LEU A 65 -11.298 0.068 -3.334 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.445 -1.563 -0.848 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.216 1.158 -0.718 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.756 -0.313 0.116 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.975 -1.183 -2.217 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.349 0.589 -3.835 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.109 0.548 -3.574 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.124 1.812 -2.799 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.786 -0.036 -1.952 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.547 1.165 -0.881 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.442 -0.539 -0.376 1.00 0.00 H new ATOM 949 N ASP A 66 -12.821 0.363 0.334 1.00 0.00 N ATOM 950 CA ASP A 66 -13.943 1.156 0.821 1.00 0.00 C ATOM 951 C ASP A 66 -13.472 2.547 1.241 1.00 0.00 C ATOM 952 O ASP A 66 -12.297 2.758 1.513 1.00 0.00 O ATOM 953 CB ASP A 66 -14.604 0.421 2.011 1.00 0.00 C ATOM 954 CG ASP A 66 -15.956 -0.175 1.602 1.00 0.00 C ATOM 955 OD1 ASP A 66 -16.013 -0.797 0.552 1.00 0.00 O ATOM 956 OD2 ASP A 66 -16.912 0.009 2.336 1.00 0.00 O ATOM 0 H ASP A 66 -12.277 -0.096 1.065 1.00 0.00 H new ATOM 0 HA ASP A 66 -14.675 1.278 0.022 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -13.945 -0.371 2.366 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -14.744 1.115 2.840 1.00 0.00 H new ATOM 961 N PRO A 67 -14.374 3.490 1.298 1.00 0.00 N ATOM 962 CA PRO A 67 -14.053 4.893 1.695 1.00 0.00 C ATOM 963 C PRO A 67 -13.567 4.987 3.143 1.00 0.00 C ATOM 964 O PRO A 67 -12.394 5.261 3.400 1.00 0.00 O ATOM 965 CB PRO A 67 -15.389 5.640 1.500 1.00 0.00 C ATOM 966 CG PRO A 67 -16.446 4.579 1.562 1.00 0.00 C ATOM 967 CD PRO A 67 -15.805 3.321 0.991 1.00 0.00 C ATOM 0 HA PRO A 67 -13.239 5.313 1.104 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -15.538 6.390 2.277 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -15.412 6.163 0.544 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -16.778 4.418 2.587 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -17.324 4.867 0.984 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -16.210 2.420 1.452 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -15.977 3.235 -0.082 1.00 0.00 H new ATOM 975 N THR A 68 -14.481 4.764 4.081 1.00 0.00 N ATOM 976 CA THR A 68 -14.143 4.837 5.495 1.00 0.00 C ATOM 977 C THR A 68 -13.100 3.786 5.849 1.00 0.00 C ATOM 978 O THR A 68 -12.429 3.881 6.876 1.00 0.00 O ATOM 979 CB THR A 68 -15.398 4.623 6.344 1.00 0.00 C ATOM 980 OG1 THR A 68 -16.015 3.397 5.975 1.00 0.00 O ATOM 981 CG2 THR A 68 -16.377 5.777 6.117 1.00 0.00 C ATOM 0 H THR A 68 -15.456 4.533 3.888 1.00 0.00 H new ATOM 0 HA THR A 68 -13.731 5.825 5.701 1.00 0.00 H new ATOM 0 HB THR A 68 -15.120 4.589 7.397 1.00 0.00 H new ATOM 0 HG1 THR A 68 -16.818 3.258 6.519 1.00 0.00 H new ATOM 0 HG21 THR A 68 -17.270 5.621 6.723 1.00 0.00 H new ATOM 0 HG22 THR A 68 -15.904 6.717 6.402 1.00 0.00 H new ATOM 0 HG23 THR A 68 -16.656 5.816 5.064 1.00 0.00 H new ATOM 989 N LEU A 69 -12.955 2.801 4.977 1.00 0.00 N ATOM 990 CA LEU A 69 -11.974 1.745 5.186 1.00 0.00 C ATOM 991 C LEU A 69 -10.553 2.279 5.007 1.00 0.00 C ATOM 992 O LEU A 69 -9.651 1.941 5.764 1.00 0.00 O ATOM 993 CB LEU A 69 -12.240 0.589 4.221 1.00 0.00 C ATOM 994 CG LEU A 69 -11.195 -0.524 4.440 1.00 0.00 C ATOM 995 CD1 LEU A 69 -11.754 -1.842 3.903 1.00 0.00 C ATOM 996 CD2 LEU A 69 -9.840 -0.183 3.748 1.00 0.00 C ATOM 0 H LEU A 69 -13.501 2.710 4.120 1.00 0.00 H new ATOM 0 HA LEU A 69 -12.068 1.380 6.209 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -13.244 0.195 4.379 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -12.196 0.945 3.192 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.997 -0.613 5.508 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.022 -2.636 4.053 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.673 -2.091 4.434 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.966 -1.741 2.839 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.128 -0.990 3.924 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.998 -0.066 2.676 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.445 0.746 4.160 1.00 0.00 H new ATOM 1008 N ILE A 70 -10.355 3.116 4.003 1.00 0.00 N ATOM 1009 CA ILE A 70 -9.031 3.671 3.748 1.00 0.00 C ATOM 1010 C ILE A 70 -8.500 4.363 4.999 1.00 0.00 C ATOM 1011 O ILE A 70 -7.312 4.275 5.311 1.00 0.00 O ATOM 1012 CB ILE A 70 -9.108 4.663 2.579 1.00 0.00 C ATOM 1013 CG1 ILE A 70 -9.374 3.897 1.268 1.00 0.00 C ATOM 1014 CG2 ILE A 70 -7.784 5.430 2.464 1.00 0.00 C ATOM 1015 CD1 ILE A 70 -9.999 4.835 0.231 1.00 0.00 C ATOM 0 H ILE A 70 -11.082 3.425 3.357 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.347 2.864 3.486 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.920 5.368 2.759 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.442 3.485 0.882 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -10.040 3.055 1.458 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.842 6.133 1.633 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.598 5.976 3.389 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.970 4.727 2.288 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -10.184 4.286 -0.692 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -10.941 5.226 0.615 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.318 5.662 0.031 1.00 0.00 H new ATOM 1027 N TRP A 71 -9.384 5.044 5.711 1.00 0.00 N ATOM 1028 CA TRP A 71 -8.984 5.736 6.925 1.00 0.00 C ATOM 1029 C TRP A 71 -8.767 4.739 8.061 1.00 0.00 C ATOM 1030 O TRP A 71 -8.307 5.112 9.142 1.00 0.00 O ATOM 1031 CB TRP A 71 -10.057 6.752 7.324 1.00 0.00 C ATOM 1032 CG TRP A 71 -10.057 7.885 6.347 1.00 0.00 C ATOM 1033 CD1 TRP A 71 -11.029 8.129 5.439 1.00 0.00 C ATOM 1034 CD2 TRP A 71 -9.050 8.921 6.158 1.00 0.00 C ATOM 1035 NE1 TRP A 71 -10.686 9.255 4.710 1.00 0.00 N ATOM 1036 CE2 TRP A 71 -9.473 9.777 5.115 1.00 0.00 C ATOM 1037 CE3 TRP A 71 -7.822 9.198 6.786 1.00 0.00 C ATOM 1038 CZ2 TRP A 71 -8.706 10.872 4.709 1.00 0.00 C ATOM 1039 CZ3 TRP A 71 -7.047 10.298 6.379 1.00 0.00 C ATOM 1040 CH2 TRP A 71 -7.490 11.133 5.343 1.00 0.00 C ATOM 0 H TRP A 71 -10.372 5.132 5.473 1.00 0.00 H new ATOM 0 HA TRP A 71 -8.047 6.259 6.735 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -11.036 6.274 7.343 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -9.864 7.125 8.330 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -11.926 7.542 5.305 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -11.259 9.651 3.965 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -7.473 8.562 7.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -9.051 11.512 3.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -6.105 10.501 6.867 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -6.891 11.977 5.036 1.00 0.00 H new ATOM 1051 N ASP A 72 -9.091 3.463 7.808 1.00 0.00 N ATOM 1052 CA ASP A 72 -8.917 2.414 8.820 1.00 0.00 C ATOM 1053 C ASP A 72 -7.536 1.785 8.700 1.00 0.00 C ATOM 1054 O ASP A 72 -6.924 1.402 9.701 1.00 0.00 O ATOM 1055 CB ASP A 72 -9.992 1.336 8.667 1.00 0.00 C ATOM 1056 CG ASP A 72 -11.369 1.988 8.708 1.00 0.00 C ATOM 1057 OD1 ASP A 72 -11.428 3.184 8.954 1.00 0.00 O ATOM 1058 OD2 ASP A 72 -12.344 1.285 8.511 1.00 0.00 O ATOM 0 H ASP A 72 -9.471 3.135 6.920 1.00 0.00 H new ATOM 0 HA ASP A 72 -9.015 2.871 9.805 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -9.857 0.803 7.726 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.902 0.600 9.466 1.00 0.00 H new ATOM 1063 N HIS A 73 -7.040 1.699 7.464 1.00 0.00 N ATOM 1064 CA HIS A 73 -5.713 1.133 7.196 1.00 0.00 C ATOM 1065 C HIS A 73 -4.786 2.177 6.558 1.00 0.00 C ATOM 1066 O HIS A 73 -4.205 1.939 5.496 1.00 0.00 O ATOM 1067 CB HIS A 73 -5.849 -0.071 6.258 1.00 0.00 C ATOM 1068 CG HIS A 73 -6.992 -0.929 6.713 1.00 0.00 C ATOM 1069 ND1 HIS A 73 -7.334 -1.064 8.050 1.00 0.00 N ATOM 1070 CD2 HIS A 73 -7.887 -1.699 6.017 1.00 0.00 C ATOM 1071 CE1 HIS A 73 -8.399 -1.886 8.112 1.00 0.00 C ATOM 1072 NE2 HIS A 73 -8.775 -2.302 6.899 1.00 0.00 N ATOM 0 H HIS A 73 -7.537 2.014 6.631 1.00 0.00 H new ATOM 0 HA HIS A 73 -5.276 0.819 8.144 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -6.018 0.267 5.236 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -4.925 -0.649 6.254 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -7.900 -1.819 4.944 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -8.889 -2.174 9.030 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -9.548 -2.927 6.670 1.00 0.00 H new ATOM 1081 N PRO A 74 -4.632 3.315 7.191 1.00 0.00 N ATOM 1082 CA PRO A 74 -3.750 4.417 6.696 1.00 0.00 C ATOM 1083 C PRO A 74 -2.273 4.070 6.826 1.00 0.00 C ATOM 1084 O PRO A 74 -1.408 4.839 6.409 1.00 0.00 O ATOM 1085 CB PRO A 74 -4.111 5.602 7.604 1.00 0.00 C ATOM 1086 CG PRO A 74 -4.600 4.979 8.870 1.00 0.00 C ATOM 1087 CD PRO A 74 -5.290 3.682 8.450 1.00 0.00 C ATOM 0 HA PRO A 74 -3.903 4.620 5.636 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -3.245 6.239 7.786 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.878 6.229 7.150 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.774 4.780 9.553 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -5.292 5.641 9.390 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -5.169 2.904 9.204 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.361 3.828 8.312 1.00 0.00 H new ATOM 1095 N THR A 75 -1.993 2.905 7.400 1.00 0.00 N ATOM 1096 CA THR A 75 -0.610 2.453 7.587 1.00 0.00 C ATOM 1097 C THR A 75 -0.264 1.344 6.599 1.00 0.00 C ATOM 1098 O THR A 75 -1.124 0.570 6.178 1.00 0.00 O ATOM 1099 CB THR A 75 -0.415 1.953 9.035 1.00 0.00 C ATOM 1100 OG1 THR A 75 -1.629 1.373 9.496 1.00 0.00 O ATOM 1101 CG2 THR A 75 -0.021 3.120 9.958 1.00 0.00 C ATOM 0 H THR A 75 -2.700 2.255 7.744 1.00 0.00 H new ATOM 0 HA THR A 75 0.058 3.295 7.403 1.00 0.00 H new ATOM 0 HB THR A 75 0.383 1.210 9.050 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.510 1.052 10.414 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.113 2.751 10.975 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.911 3.563 9.607 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.808 3.875 9.947 1.00 0.00 H new ATOM 1109 N ILE A 76 1.012 1.286 6.241 1.00 0.00 N ATOM 1110 CA ILE A 76 1.490 0.276 5.309 1.00 0.00 C ATOM 1111 C ILE A 76 1.339 -1.111 5.915 1.00 0.00 C ATOM 1112 O ILE A 76 0.906 -2.047 5.247 1.00 0.00 O ATOM 1113 CB ILE A 76 2.958 0.536 4.941 1.00 0.00 C ATOM 1114 CG1 ILE A 76 3.039 1.813 4.090 1.00 0.00 C ATOM 1115 CG2 ILE A 76 3.517 -0.651 4.142 1.00 0.00 C ATOM 1116 CD1 ILE A 76 4.490 2.290 3.981 1.00 0.00 C ATOM 0 H ILE A 76 1.731 1.924 6.581 1.00 0.00 H new ATOM 0 HA ILE A 76 0.890 0.331 4.401 1.00 0.00 H new ATOM 0 HB ILE A 76 3.546 0.657 5.851 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.637 1.621 3.095 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.425 2.595 4.537 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.559 -0.458 3.885 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.453 -1.557 4.744 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.936 -0.781 3.229 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.531 3.195 3.375 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.879 2.502 4.977 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.094 1.513 3.513 1.00 0.00 H new ATOM 1128 N ASP A 77 1.709 -1.235 7.183 1.00 0.00 N ATOM 1129 CA ASP A 77 1.619 -2.518 7.862 1.00 0.00 C ATOM 1130 C ASP A 77 0.211 -3.087 7.739 1.00 0.00 C ATOM 1131 O ASP A 77 0.031 -4.262 7.407 1.00 0.00 O ATOM 1132 CB ASP A 77 1.974 -2.346 9.341 1.00 0.00 C ATOM 1133 CG ASP A 77 1.791 -3.665 10.081 1.00 0.00 C ATOM 1134 OD1 ASP A 77 2.523 -4.596 9.789 1.00 0.00 O ATOM 1135 OD2 ASP A 77 0.920 -3.727 10.934 1.00 0.00 O ATOM 0 H ASP A 77 2.070 -0.472 7.755 1.00 0.00 H new ATOM 0 HA ASP A 77 2.321 -3.210 7.396 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.005 -2.006 9.438 1.00 0.00 H new ATOM 0 HB3 ASP A 77 1.342 -1.579 9.788 1.00 0.00 H new ATOM 1140 N ALA A 78 -0.783 -2.248 7.994 1.00 0.00 N ATOM 1141 CA ALA A 78 -2.168 -2.682 7.902 1.00 0.00 C ATOM 1142 C ALA A 78 -2.545 -2.959 6.452 1.00 0.00 C ATOM 1143 O ALA A 78 -3.183 -3.969 6.145 1.00 0.00 O ATOM 1144 CB ALA A 78 -3.094 -1.597 8.472 1.00 0.00 C ATOM 0 H ALA A 78 -0.658 -1.272 8.264 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.282 -3.600 8.479 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.130 -1.928 8.400 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.843 -1.416 9.517 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.968 -0.675 7.904 1.00 0.00 H new ATOM 1150 N LEU A 79 -2.180 -2.043 5.570 1.00 0.00 N ATOM 1151 CA LEU A 79 -2.531 -2.194 4.167 1.00 0.00 C ATOM 1152 C LEU A 79 -1.924 -3.480 3.616 1.00 0.00 C ATOM 1153 O LEU A 79 -2.581 -4.230 2.894 1.00 0.00 O ATOM 1154 CB LEU A 79 -2.017 -0.989 3.368 1.00 0.00 C ATOM 1155 CG LEU A 79 -2.964 -0.662 2.192 1.00 0.00 C ATOM 1156 CD1 LEU A 79 -3.255 -1.922 1.348 1.00 0.00 C ATOM 1157 CD2 LEU A 79 -4.297 -0.071 2.737 1.00 0.00 C ATOM 0 H LEU A 79 -1.650 -1.201 5.794 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.616 -2.245 4.075 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.932 -0.122 4.024 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.018 -1.200 2.987 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.475 0.072 1.552 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.924 -1.664 0.527 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.321 -2.314 0.945 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.726 -2.679 1.975 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.961 0.158 1.904 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.776 -0.798 3.394 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.089 0.841 3.296 1.00 0.00 H new ATOM 1169 N SER A 80 -0.664 -3.724 3.957 1.00 0.00 N ATOM 1170 CA SER A 80 0.018 -4.914 3.483 1.00 0.00 C ATOM 1171 C SER A 80 -0.691 -6.161 3.989 1.00 0.00 C ATOM 1172 O SER A 80 -0.917 -7.104 3.235 1.00 0.00 O ATOM 1173 CB SER A 80 1.466 -4.907 3.971 1.00 0.00 C ATOM 1174 OG SER A 80 2.138 -6.050 3.462 1.00 0.00 O ATOM 0 H SER A 80 -0.102 -3.118 4.554 1.00 0.00 H new ATOM 0 HA SER A 80 0.005 -4.919 2.393 1.00 0.00 H new ATOM 0 HB2 SER A 80 1.969 -3.998 3.641 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.495 -4.909 5.061 1.00 0.00 H new ATOM 0 HG SER A 80 3.013 -6.135 3.895 1.00 0.00 H new ATOM 1180 N THR A 81 -1.042 -6.150 5.272 1.00 0.00 N ATOM 1181 CA THR A 81 -1.727 -7.291 5.876 1.00 0.00 C ATOM 1182 C THR A 81 -2.994 -7.618 5.086 1.00 0.00 C ATOM 1183 O THR A 81 -3.307 -8.783 4.822 1.00 0.00 O ATOM 1184 CB THR A 81 -2.093 -6.972 7.326 1.00 0.00 C ATOM 1185 OG1 THR A 81 -0.905 -6.742 8.074 1.00 0.00 O ATOM 1186 CG2 THR A 81 -2.857 -8.151 7.932 1.00 0.00 C ATOM 0 H THR A 81 -0.866 -5.373 5.909 1.00 0.00 H new ATOM 0 HA THR A 81 -1.060 -8.153 5.856 1.00 0.00 H new ATOM 0 HB THR A 81 -2.720 -6.081 7.355 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.502 -5.893 7.795 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.118 -7.923 8.966 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.767 -8.328 7.359 1.00 0.00 H new ATOM 0 HG23 THR A 81 -2.231 -9.043 7.904 1.00 0.00 H new ATOM 1194 N ALA A 82 -3.719 -6.581 4.703 1.00 0.00 N ATOM 1195 CA ALA A 82 -4.940 -6.770 3.935 1.00 0.00 C ATOM 1196 C ALA A 82 -4.624 -7.303 2.533 1.00 0.00 C ATOM 1197 O ALA A 82 -5.348 -8.157 1.994 1.00 0.00 O ATOM 1198 CB ALA A 82 -5.692 -5.445 3.814 1.00 0.00 C ATOM 0 H ALA A 82 -3.488 -5.609 4.908 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.561 -7.498 4.457 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.605 -5.596 3.238 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.947 -5.079 4.809 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.061 -4.713 3.309 1.00 0.00 H new ATOM 1204 N LEU A 83 -3.545 -6.801 1.930 1.00 0.00 N ATOM 1205 CA LEU A 83 -3.178 -7.229 0.588 1.00 0.00 C ATOM 1206 C LEU A 83 -2.859 -8.722 0.563 1.00 0.00 C ATOM 1207 O LEU A 83 -3.414 -9.467 -0.241 1.00 0.00 O ATOM 1208 CB LEU A 83 -1.955 -6.414 0.115 1.00 0.00 C ATOM 1209 CG LEU A 83 -2.015 -6.203 -1.395 1.00 0.00 C ATOM 1210 CD1 LEU A 83 -0.759 -5.458 -1.853 1.00 0.00 C ATOM 1211 CD2 LEU A 83 -2.104 -7.562 -2.087 1.00 0.00 C ATOM 0 H LEU A 83 -2.921 -6.109 2.345 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.018 -7.054 -0.084 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.932 -5.450 0.624 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.036 -6.936 0.380 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.892 -5.611 -1.655 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.799 -5.306 -2.932 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.706 -4.491 -1.352 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.124 -6.045 -1.602 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.147 -7.418 -3.167 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.226 -8.157 -1.835 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.002 -8.082 -1.754 1.00 0.00 H new ATOM 1223 N VAL A 84 -1.975 -9.155 1.455 1.00 0.00 N ATOM 1224 CA VAL A 84 -1.614 -10.559 1.520 1.00 0.00 C ATOM 1225 C VAL A 84 -2.840 -11.391 1.864 1.00 0.00 C ATOM 1226 O VAL A 84 -2.949 -12.545 1.455 1.00 0.00 O ATOM 1227 CB VAL A 84 -0.524 -10.777 2.575 1.00 0.00 C ATOM 1228 CG1 VAL A 84 -1.037 -10.338 3.944 1.00 0.00 C ATOM 1229 CG2 VAL A 84 -0.125 -12.259 2.622 1.00 0.00 C ATOM 0 H VAL A 84 -1.502 -8.559 2.134 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.230 -10.870 0.548 1.00 0.00 H new ATOM 0 HB VAL A 84 0.350 -10.183 2.310 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.259 -10.495 4.691 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.302 -9.281 3.912 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.917 -10.924 4.208 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.650 -12.403 3.375 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.996 -12.862 2.878 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.255 -12.565 1.647 1.00 0.00 H new ATOM 1239 N ALA A 85 -3.759 -10.805 2.621 1.00 0.00 N ATOM 1240 CA ALA A 85 -4.970 -11.521 3.010 1.00 0.00 C ATOM 1241 C ALA A 85 -5.776 -11.915 1.782 1.00 0.00 C ATOM 1242 O ALA A 85 -6.362 -12.995 1.730 1.00 0.00 O ATOM 1243 CB ALA A 85 -5.824 -10.637 3.907 1.00 0.00 C ATOM 0 H ALA A 85 -3.693 -9.850 2.974 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.680 -12.423 3.548 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.727 -11.175 4.195 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.259 -10.372 4.801 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.099 -9.730 3.369 1.00 0.00 H new ATOM 1249 N GLU A 86 -5.798 -11.033 0.795 1.00 0.00 N ATOM 1250 CA GLU A 86 -6.533 -11.304 -0.443 1.00 0.00 C ATOM 1251 C GLU A 86 -6.175 -12.691 -1.000 1.00 0.00 C ATOM 1252 O GLU A 86 -6.906 -13.263 -1.809 1.00 0.00 O ATOM 1253 CB GLU A 86 -6.198 -10.209 -1.486 1.00 0.00 C ATOM 1254 CG GLU A 86 -4.915 -10.559 -2.273 1.00 0.00 C ATOM 1255 CD GLU A 86 -5.232 -11.388 -3.516 1.00 0.00 C ATOM 1256 OE1 GLU A 86 -6.355 -11.849 -3.629 1.00 0.00 O ATOM 1257 OE2 GLU A 86 -4.343 -11.546 -4.341 1.00 0.00 O ATOM 0 H GLU A 86 -5.323 -10.131 0.820 1.00 0.00 H new ATOM 0 HA GLU A 86 -7.602 -11.292 -0.229 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -7.032 -10.095 -2.178 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.069 -9.251 -0.982 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -4.405 -9.642 -2.566 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -4.231 -11.112 -1.629 1.00 0.00 H new ATOM 1264 N LEU A 87 -5.037 -13.216 -0.552 1.00 0.00 N ATOM 1265 CA LEU A 87 -4.543 -14.528 -0.990 1.00 0.00 C ATOM 1266 C LEU A 87 -4.884 -15.612 0.020 1.00 0.00 C ATOM 1267 O LEU A 87 -4.797 -16.803 -0.280 1.00 0.00 O ATOM 1268 CB LEU A 87 -3.016 -14.472 -1.213 1.00 0.00 C ATOM 1269 CG LEU A 87 -2.704 -13.857 -2.592 1.00 0.00 C ATOM 1270 CD1 LEU A 87 -1.306 -13.239 -2.578 1.00 0.00 C ATOM 1271 CD2 LEU A 87 -2.756 -14.946 -3.678 1.00 0.00 C ATOM 0 H LEU A 87 -4.430 -12.750 0.122 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.035 -14.777 -1.930 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.547 -13.879 -0.427 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.594 -15.475 -1.150 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.446 -13.089 -2.808 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.090 -12.806 -3.555 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -1.260 -12.460 -1.817 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.570 -14.010 -2.352 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.534 -14.503 -4.649 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.019 -15.718 -3.455 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.751 -15.390 -3.701 1.00 0.00 H new ATOM 1283 N ARG A 88 -5.268 -15.197 1.216 1.00 0.00 N ATOM 1284 CA ARG A 88 -5.616 -16.143 2.269 1.00 0.00 C ATOM 1285 C ARG A 88 -7.122 -16.372 2.308 1.00 0.00 C ATOM 1286 O ARG A 88 -7.610 -17.221 3.055 1.00 0.00 O ATOM 1287 CB ARG A 88 -5.138 -15.595 3.615 1.00 0.00 C ATOM 1288 CG ARG A 88 -3.615 -15.355 3.582 1.00 0.00 C ATOM 1289 CD ARG A 88 -2.859 -16.655 3.878 1.00 0.00 C ATOM 1290 NE ARG A 88 -3.061 -17.034 5.268 1.00 0.00 N ATOM 1291 CZ ARG A 88 -2.661 -18.214 5.721 1.00 0.00 C ATOM 1292 NH1 ARG A 88 -2.088 -19.060 4.911 1.00 0.00 N ATOM 1293 NH2 ARG A 88 -2.846 -18.530 6.972 1.00 0.00 N ATOM 0 H ARG A 88 -5.347 -14.216 1.484 1.00 0.00 H new ATOM 0 HA ARG A 88 -5.129 -17.097 2.065 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -5.656 -14.663 3.841 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.386 -16.298 4.411 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.323 -14.972 2.604 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -3.345 -14.595 4.316 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.211 -17.449 3.220 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -1.796 -16.522 3.678 1.00 0.00 H new ATOM 0 HE ARG A 88 -3.518 -16.381 5.905 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -1.948 -18.813 3.931 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -1.779 -19.968 5.257 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -3.299 -17.869 7.603 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -2.538 -19.438 7.320 1.00 0.00 H new ATOM 1307 N SER A 89 -7.855 -15.618 1.499 1.00 0.00 N ATOM 1308 CA SER A 89 -9.304 -15.759 1.453 1.00 0.00 C ATOM 1309 C SER A 89 -9.855 -15.197 0.148 1.00 0.00 C ATOM 1310 O SER A 89 -9.216 -14.369 -0.501 1.00 0.00 O ATOM 1311 CB SER A 89 -9.935 -15.029 2.637 1.00 0.00 C ATOM 1312 OG SER A 89 -9.506 -15.641 3.846 1.00 0.00 O ATOM 0 H SER A 89 -7.475 -14.909 0.872 1.00 0.00 H new ATOM 0 HA SER A 89 -9.551 -16.819 1.509 1.00 0.00 H new ATOM 0 HB2 SER A 89 -9.648 -13.977 2.626 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.022 -15.064 2.564 1.00 0.00 H new ATOM 0 HG SER A 89 -9.084 -16.502 3.645 1.00 0.00 H new ATOM 1318 N ALA A 90 -11.043 -15.655 -0.233 1.00 0.00 N ATOM 1319 CA ALA A 90 -11.670 -15.188 -1.464 1.00 0.00 C ATOM 1320 C ALA A 90 -11.901 -13.681 -1.410 1.00 0.00 C ATOM 1321 O ALA A 90 -11.333 -12.984 -2.233 1.00 0.00 O ATOM 1322 CB ALA A 90 -13.006 -15.904 -1.671 1.00 0.00 C ATOM 1323 OXT ALA A 90 -12.643 -13.246 -0.544 1.00 0.00 O ATOM 0 H ALA A 90 -11.587 -16.343 0.288 1.00 0.00 H new ATOM 0 HA ALA A 90 -11.004 -15.411 -2.297 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -13.469 -15.551 -2.592 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -12.836 -16.979 -1.739 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -13.666 -15.694 -0.829 1.00 0.00 H new TER 1329 ALA A 90