USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 554 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 17 CYS SG : rot -149:sc= -2.05 USER MOD Set 1.2: A 48 THR OG1 : rot 180:sc= 0.00606 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 65:sc= 0.502 USER MOD Single : A 42 SER OG : rot 45:sc= 1.18 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= -1.71! USER MOD Single : A 70 THR OG1 : rot 173:sc= -0.946 USER MOD Single : A 79 ASN : amide:sc= -1.79 K(o=-1.8,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 -4.562 10.171 -0.637 1.00 0.00 N ATOM 45 CA LEU A 4 -3.745 8.964 -0.548 1.00 0.00 C ATOM 46 C LEU A 4 -4.445 7.804 -1.248 1.00 0.00 C ATOM 47 O LEU A 4 -5.634 7.875 -1.554 1.00 0.00 O ATOM 48 CB LEU A 4 -3.494 8.587 0.914 1.00 0.00 C ATOM 49 CG LEU A 4 -4.825 8.532 1.668 1.00 0.00 C ATOM 50 CD1 LEU A 4 -4.777 7.414 2.712 1.00 0.00 C ATOM 51 CD2 LEU A 4 -5.072 9.870 2.370 1.00 0.00 C ATOM 0 HA LEU A 4 -2.790 9.166 -1.034 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.993 7.620 0.970 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.831 9.317 1.379 1.00 0.00 H new ATOM 0 HG LEU A 4 -5.631 8.336 0.961 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -5.725 7.376 3.248 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.602 6.460 2.215 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -3.969 7.609 3.417 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -6.020 9.830 2.907 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.264 10.066 3.075 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.108 10.668 1.629 1.00 0.00 H new ATOM 63 N LEU A 5 -3.696 6.733 -1.501 1.00 0.00 N ATOM 64 CA LEU A 5 -4.267 5.567 -2.168 1.00 0.00 C ATOM 65 C LEU A 5 -4.827 4.585 -1.150 1.00 0.00 C ATOM 66 O LEU A 5 -4.483 4.623 0.031 1.00 0.00 O ATOM 67 CB LEU A 5 -3.214 4.836 -3.010 1.00 0.00 C ATOM 68 CG LEU A 5 -3.038 5.509 -4.378 1.00 0.00 C ATOM 69 CD1 LEU A 5 -2.042 4.691 -5.199 1.00 0.00 C ATOM 70 CD2 LEU A 5 -4.375 5.558 -5.129 1.00 0.00 C ATOM 0 H LEU A 5 -2.709 6.649 -1.259 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.064 5.930 -2.816 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -2.262 4.827 -2.480 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.511 3.796 -3.148 1.00 0.00 H new ATOM 0 HG LEU A 5 -2.677 6.527 -4.232 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -1.906 5.157 -6.175 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.085 4.654 -4.678 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.424 3.678 -5.330 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -4.231 6.038 -6.097 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.746 4.544 -5.279 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.099 6.127 -4.546 1.00 0.00 H new ATOM 82 N THR A 6 -5.691 3.699 -1.630 1.00 0.00 N ATOM 83 CA THR A 6 -6.298 2.696 -0.764 1.00 0.00 C ATOM 84 C THR A 6 -6.196 1.311 -1.394 1.00 0.00 C ATOM 85 O THR A 6 -5.679 1.146 -2.502 1.00 0.00 O ATOM 86 CB THR A 6 -7.773 3.023 -0.518 1.00 0.00 C ATOM 87 OG1 THR A 6 -8.434 3.189 -1.764 1.00 0.00 O ATOM 88 CG2 THR A 6 -7.884 4.313 0.297 1.00 0.00 C ATOM 0 H THR A 6 -5.985 3.654 -2.606 1.00 0.00 H new ATOM 0 HA THR A 6 -5.760 2.703 0.184 1.00 0.00 H new ATOM 0 HB THR A 6 -8.238 2.207 0.035 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.379 3.397 -1.608 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.935 4.544 0.471 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.378 4.184 1.254 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.419 5.132 -0.252 1.00 0.00 H new ATOM 96 N THR A 7 -6.706 0.317 -0.675 1.00 0.00 N ATOM 97 CA THR A 7 -6.689 -1.058 -1.163 1.00 0.00 C ATOM 98 C THR A 7 -7.515 -1.162 -2.446 1.00 0.00 C ATOM 99 O THR A 7 -7.225 -1.965 -3.325 1.00 0.00 O ATOM 100 CB THR A 7 -7.265 -1.998 -0.095 1.00 0.00 C ATOM 101 OG1 THR A 7 -6.455 -1.936 1.070 1.00 0.00 O ATOM 102 CG2 THR A 7 -7.295 -3.434 -0.618 1.00 0.00 C ATOM 0 H THR A 7 -7.134 0.436 0.243 1.00 0.00 H new ATOM 0 HA THR A 7 -5.660 -1.349 -1.375 1.00 0.00 H new ATOM 0 HB THR A 7 -8.282 -1.687 0.144 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.821 -2.534 1.755 1.00 0.00 H new ATOM 0 HG21 THR A 7 -7.705 -4.092 0.148 1.00 0.00 H new ATOM 0 HG22 THR A 7 -7.919 -3.483 -1.511 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.282 -3.752 -0.865 1.00 0.00 H new ATOM 110 N ASP A 8 -8.547 -0.339 -2.546 1.00 0.00 N ATOM 111 CA ASP A 8 -9.394 -0.347 -3.738 1.00 0.00 C ATOM 112 C ASP A 8 -8.561 0.012 -4.971 1.00 0.00 C ATOM 113 O ASP A 8 -8.824 -0.458 -6.079 1.00 0.00 O ATOM 114 CB ASP A 8 -10.536 0.660 -3.595 1.00 0.00 C ATOM 115 CG ASP A 8 -11.544 0.450 -4.719 1.00 0.00 C ATOM 116 OD1 ASP A 8 -11.383 1.071 -5.756 1.00 0.00 O ATOM 117 OD2 ASP A 8 -12.464 -0.329 -4.526 1.00 0.00 O ATOM 0 H ASP A 8 -8.819 0.335 -1.830 1.00 0.00 H new ATOM 0 HA ASP A 8 -9.813 -1.347 -3.853 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -11.023 0.538 -2.628 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -10.145 1.677 -3.629 1.00 0.00 H new ATOM 122 N ASP A 9 -7.552 0.858 -4.756 1.00 0.00 N ATOM 123 CA ASP A 9 -6.676 1.293 -5.842 1.00 0.00 C ATOM 124 C ASP A 9 -5.711 0.186 -6.265 1.00 0.00 C ATOM 125 O ASP A 9 -5.696 -0.219 -7.425 1.00 0.00 O ATOM 126 CB ASP A 9 -5.851 2.511 -5.421 1.00 0.00 C ATOM 127 CG ASP A 9 -5.186 3.117 -6.651 1.00 0.00 C ATOM 128 OD1 ASP A 9 -5.802 3.966 -7.275 1.00 0.00 O ATOM 129 OD2 ASP A 9 -4.072 2.723 -6.953 1.00 0.00 O ATOM 0 H ASP A 9 -7.323 1.253 -3.844 1.00 0.00 H new ATOM 0 HA ASP A 9 -7.323 1.549 -6.681 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.491 3.249 -4.938 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -5.096 2.219 -4.692 1.00 0.00 H new ATOM 134 N LEU A 10 -4.881 -0.282 -5.328 1.00 0.00 N ATOM 135 CA LEU A 10 -3.903 -1.322 -5.665 1.00 0.00 C ATOM 136 C LEU A 10 -4.597 -2.605 -6.156 1.00 0.00 C ATOM 137 O LEU A 10 -3.976 -3.444 -6.814 1.00 0.00 O ATOM 138 CB LEU A 10 -2.902 -1.553 -4.484 1.00 0.00 C ATOM 139 CG LEU A 10 -3.190 -2.796 -3.608 1.00 0.00 C ATOM 140 CD1 LEU A 10 -4.646 -2.802 -3.167 1.00 0.00 C ATOM 141 CD2 LEU A 10 -2.853 -4.092 -4.364 1.00 0.00 C ATOM 0 H LEU A 10 -4.864 0.031 -4.357 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.299 -0.978 -6.505 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.896 -1.643 -4.894 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.908 -0.669 -3.846 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.555 -2.746 -2.724 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.836 -3.681 -2.551 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.855 -1.902 -2.589 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.292 -2.827 -4.045 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.064 -4.951 -3.727 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.459 -4.154 -5.268 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.797 -4.092 -4.634 1.00 0.00 H new ATOM 153 N ARG A 11 -5.893 -2.740 -5.866 1.00 0.00 N ATOM 154 CA ARG A 11 -6.639 -3.914 -6.319 1.00 0.00 C ATOM 155 C ARG A 11 -6.983 -3.765 -7.791 1.00 0.00 C ATOM 156 O ARG A 11 -6.670 -4.625 -8.611 1.00 0.00 O ATOM 157 CB ARG A 11 -7.941 -4.075 -5.532 1.00 0.00 C ATOM 158 CG ARG A 11 -8.349 -5.550 -5.513 1.00 0.00 C ATOM 159 CD ARG A 11 -9.104 -5.893 -6.798 1.00 0.00 C ATOM 160 NE ARG A 11 -9.604 -7.264 -6.751 1.00 0.00 N ATOM 161 CZ ARG A 11 -10.607 -7.602 -5.945 1.00 0.00 C ATOM 162 NH1 ARG A 11 -11.790 -7.079 -6.120 1.00 0.00 N ATOM 163 NH2 ARG A 11 -10.407 -8.456 -4.979 1.00 0.00 N ATOM 0 H ARG A 11 -6.438 -2.065 -5.330 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.013 -4.792 -6.159 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.810 -3.710 -4.513 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -8.729 -3.475 -5.986 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.465 -6.181 -5.420 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.977 -5.752 -4.646 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -9.936 -5.201 -6.933 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.445 -5.770 -7.657 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.177 -7.974 -7.346 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.946 -6.411 -6.875 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -12.559 -7.338 -5.502 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.482 -8.864 -4.842 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.175 -8.716 -4.361 1.00 0.00 H new ATOM 177 N ARG A 12 -7.635 -2.649 -8.113 1.00 0.00 N ATOM 178 CA ARG A 12 -8.029 -2.367 -9.495 1.00 0.00 C ATOM 179 C ARG A 12 -6.818 -2.400 -10.426 1.00 0.00 C ATOM 180 O ARG A 12 -6.941 -2.696 -11.615 1.00 0.00 O ATOM 181 CB ARG A 12 -8.685 -0.988 -9.588 1.00 0.00 C ATOM 182 CG ARG A 12 -9.600 -0.936 -10.814 1.00 0.00 C ATOM 183 CD ARG A 12 -9.563 0.468 -11.421 1.00 0.00 C ATOM 184 NE ARG A 12 -8.204 0.821 -11.820 1.00 0.00 N ATOM 185 CZ ARG A 12 -7.879 2.078 -12.110 1.00 0.00 C ATOM 186 NH1 ARG A 12 -8.234 2.597 -13.253 1.00 0.00 N ATOM 187 NH2 ARG A 12 -7.204 2.792 -11.250 1.00 0.00 N ATOM 0 H ARG A 12 -7.901 -1.929 -7.442 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.738 -3.136 -9.801 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -9.260 -0.786 -8.684 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.920 -0.214 -9.659 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -9.279 -1.671 -11.552 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.620 -1.194 -10.530 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -10.225 0.513 -12.286 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -9.935 1.193 -10.697 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.492 0.092 -11.877 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.761 2.039 -13.925 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -7.985 3.561 -13.475 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.926 2.386 -10.357 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.954 3.756 -11.472 1.00 0.00 H new ATOM 201 N ALA A 13 -5.647 -2.093 -9.872 1.00 0.00 N ATOM 202 CA ALA A 13 -4.418 -2.091 -10.662 1.00 0.00 C ATOM 203 C ALA A 13 -3.982 -3.518 -10.968 1.00 0.00 C ATOM 204 O ALA A 13 -3.663 -3.852 -12.110 1.00 0.00 O ATOM 205 CB ALA A 13 -3.297 -1.378 -9.905 1.00 0.00 C ATOM 0 H ALA A 13 -5.523 -1.845 -8.890 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.617 -1.564 -11.595 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.389 -1.386 -10.508 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.591 -0.348 -9.705 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.111 -1.892 -8.962 1.00 0.00 H new ATOM 211 N LEU A 14 -3.970 -4.360 -9.936 1.00 0.00 N ATOM 212 CA LEU A 14 -3.569 -5.756 -10.110 1.00 0.00 C ATOM 213 C LEU A 14 -4.483 -6.464 -11.111 1.00 0.00 C ATOM 214 O LEU A 14 -4.071 -7.407 -11.787 1.00 0.00 O ATOM 215 CB LEU A 14 -3.623 -6.500 -8.774 1.00 0.00 C ATOM 216 CG LEU A 14 -2.290 -6.335 -8.043 1.00 0.00 C ATOM 217 CD1 LEU A 14 -2.533 -6.343 -6.532 1.00 0.00 C ATOM 218 CD2 LEU A 14 -1.360 -7.493 -8.414 1.00 0.00 C ATOM 0 H LEU A 14 -4.229 -4.106 -8.983 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.547 -5.762 -10.490 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.436 -6.111 -8.162 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.829 -7.557 -8.943 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.830 -5.390 -8.333 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.583 -6.225 -6.010 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.197 -5.521 -6.266 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.992 -7.288 -6.242 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.409 -7.377 -7.894 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.820 -8.437 -8.123 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.187 -7.491 -9.490 1.00 0.00 H new ATOM 230 N VAL A 15 -5.727 -5.999 -11.198 1.00 0.00 N ATOM 231 CA VAL A 15 -6.691 -6.595 -12.120 1.00 0.00 C ATOM 232 C VAL A 15 -6.578 -5.959 -13.507 1.00 0.00 C ATOM 233 O VAL A 15 -6.937 -6.571 -14.512 1.00 0.00 O ATOM 234 CB VAL A 15 -8.118 -6.407 -11.598 1.00 0.00 C ATOM 235 CG1 VAL A 15 -9.097 -7.190 -12.476 1.00 0.00 C ATOM 236 CG2 VAL A 15 -8.207 -6.922 -10.159 1.00 0.00 C ATOM 0 H VAL A 15 -6.089 -5.220 -10.648 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.468 -7.659 -12.194 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.374 -5.348 -11.626 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.111 -7.053 -12.101 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -9.037 -6.826 -13.502 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.841 -8.249 -12.452 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.223 -6.788 -9.787 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.948 -7.980 -10.135 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.514 -6.364 -9.529 1.00 0.00 H new ATOM 246 N GLU A 16 -6.075 -4.723 -13.552 1.00 0.00 N ATOM 247 CA GLU A 16 -5.920 -4.016 -14.823 1.00 0.00 C ATOM 248 C GLU A 16 -5.049 -4.823 -15.784 1.00 0.00 C ATOM 249 O GLU A 16 -5.338 -4.915 -16.977 1.00 0.00 O ATOM 250 CB GLU A 16 -5.275 -2.648 -14.598 1.00 0.00 C ATOM 251 CG GLU A 16 -5.695 -1.693 -15.717 1.00 0.00 C ATOM 252 CD GLU A 16 -4.890 -0.402 -15.615 1.00 0.00 C ATOM 253 OE1 GLU A 16 -4.990 0.254 -14.591 1.00 0.00 O ATOM 254 OE2 GLU A 16 -4.186 -0.089 -16.560 1.00 0.00 O ATOM 0 H GLU A 16 -5.772 -4.197 -12.733 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.912 -3.885 -15.256 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.578 -2.247 -13.631 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.190 -2.745 -14.577 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.531 -2.160 -16.688 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.761 -1.476 -15.643 1.00 0.00 H new ATOM 261 N CYS A 17 -3.982 -5.412 -15.247 1.00 0.00 N ATOM 262 CA CYS A 17 -3.075 -6.218 -16.063 1.00 0.00 C ATOM 263 C CYS A 17 -3.482 -7.696 -16.053 1.00 0.00 C ATOM 264 O CYS A 17 -2.631 -8.587 -16.051 1.00 0.00 O ATOM 265 CB CYS A 17 -1.639 -6.090 -15.544 1.00 0.00 C ATOM 266 SG CYS A 17 -0.829 -4.680 -16.343 1.00 0.00 S ATOM 0 H CYS A 17 -3.726 -5.348 -14.262 1.00 0.00 H new ATOM 0 HA CYS A 17 -3.133 -5.845 -17.086 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.643 -5.955 -14.462 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.084 -7.006 -15.749 1.00 0.00 H new ATOM 0 HG CYS A 17 0.444 -4.917 -16.454 1.00 0.00 H new ATOM 272 N ALA A 18 -4.789 -7.954 -16.047 1.00 0.00 N ATOM 273 CA ALA A 18 -5.281 -9.329 -16.040 1.00 0.00 C ATOM 274 C ALA A 18 -6.228 -9.561 -17.214 1.00 0.00 C ATOM 275 O ALA A 18 -5.962 -10.383 -18.091 1.00 0.00 O ATOM 276 CB ALA A 18 -6.023 -9.625 -14.736 1.00 0.00 C ATOM 0 H ALA A 18 -5.517 -7.239 -16.047 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.422 -9.995 -16.128 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.383 -10.654 -14.748 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.346 -9.487 -13.893 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.870 -8.946 -14.637 1.00 0.00 H new ATOM 400 N ASP A 29 -10.408 -11.030 2.485 1.00 0.00 N ATOM 401 CA ASP A 29 -9.176 -10.292 2.219 1.00 0.00 C ATOM 402 C ASP A 29 -8.361 -10.989 1.135 1.00 0.00 C ATOM 403 O ASP A 29 -8.404 -12.210 0.991 1.00 0.00 O ATOM 404 CB ASP A 29 -8.329 -10.189 3.490 1.00 0.00 C ATOM 405 CG ASP A 29 -9.021 -9.266 4.488 1.00 0.00 C ATOM 406 OD1 ASP A 29 -9.223 -8.110 4.155 1.00 0.00 O ATOM 407 OD2 ASP A 29 -9.339 -9.730 5.572 1.00 0.00 O ATOM 0 HA ASP A 29 -9.449 -9.292 1.882 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.190 -11.177 3.928 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.338 -9.805 3.249 1.00 0.00 H new ATOM 412 N PHE A 30 -7.616 -10.194 0.371 1.00 0.00 N ATOM 413 CA PHE A 30 -6.788 -10.740 -0.705 1.00 0.00 C ATOM 414 C PHE A 30 -5.372 -10.174 -0.652 1.00 0.00 C ATOM 415 O PHE A 30 -4.658 -10.162 -1.655 1.00 0.00 O ATOM 416 CB PHE A 30 -7.396 -10.408 -2.067 1.00 0.00 C ATOM 417 CG PHE A 30 -7.706 -8.928 -2.153 1.00 0.00 C ATOM 418 CD1 PHE A 30 -6.673 -7.998 -2.346 1.00 0.00 C ATOM 419 CD2 PHE A 30 -9.030 -8.487 -2.044 1.00 0.00 C ATOM 420 CE1 PHE A 30 -6.967 -6.632 -2.429 1.00 0.00 C ATOM 421 CE2 PHE A 30 -9.323 -7.122 -2.128 1.00 0.00 C ATOM 422 CZ PHE A 30 -8.292 -6.194 -2.321 1.00 0.00 C ATOM 0 H PHE A 30 -7.567 -9.180 0.474 1.00 0.00 H new ATOM 0 HA PHE A 30 -6.748 -11.821 -0.569 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -6.704 -10.689 -2.861 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -8.307 -10.987 -2.218 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.651 -8.336 -2.431 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -9.826 -9.201 -1.895 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.172 -5.916 -2.576 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -10.345 -6.783 -2.044 1.00 0.00 H new ATOM 0 HZ PHE A 30 -8.519 -5.140 -2.387 1.00 0.00 H new ATOM 432 N LEU A 31 -4.970 -9.706 0.525 1.00 0.00 N ATOM 433 CA LEU A 31 -3.636 -9.138 0.686 1.00 0.00 C ATOM 434 C LEU A 31 -2.822 -9.950 1.690 1.00 0.00 C ATOM 435 O LEU A 31 -2.433 -9.465 2.753 1.00 0.00 O ATOM 436 CB LEU A 31 -3.739 -7.685 1.146 1.00 0.00 C ATOM 437 CG LEU A 31 -4.493 -6.890 0.081 1.00 0.00 C ATOM 438 CD1 LEU A 31 -5.117 -5.643 0.705 1.00 0.00 C ATOM 439 CD2 LEU A 31 -3.523 -6.476 -1.026 1.00 0.00 C ATOM 0 H LEU A 31 -5.540 -9.708 1.371 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.127 -9.172 -0.277 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.260 -7.627 2.102 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.745 -7.265 1.299 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.283 -7.513 -0.338 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.653 -5.082 -0.061 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.812 -5.938 1.491 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.332 -5.018 1.131 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.060 -5.909 -1.787 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.731 -5.858 -0.603 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.086 -7.366 -1.478 1.00 0.00 H new ATOM 451 N ASP A 32 -2.566 -11.198 1.318 1.00 0.00 N ATOM 452 CA ASP A 32 -1.791 -12.108 2.154 1.00 0.00 C ATOM 453 C ASP A 32 -1.137 -13.159 1.268 1.00 0.00 C ATOM 454 O ASP A 32 -1.665 -14.256 1.084 1.00 0.00 O ATOM 455 CB ASP A 32 -2.690 -12.801 3.180 1.00 0.00 C ATOM 456 CG ASP A 32 -3.215 -11.771 4.175 1.00 0.00 C ATOM 457 OD1 ASP A 32 -2.435 -11.326 5.002 1.00 0.00 O ATOM 458 OD2 ASP A 32 -4.386 -11.442 4.096 1.00 0.00 O ATOM 0 H ASP A 32 -2.885 -11.605 0.439 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.032 -11.536 2.688 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -3.522 -13.293 2.677 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.131 -13.576 3.704 1.00 0.00 H new ATOM 463 N LEU A 33 0.012 -12.798 0.697 1.00 0.00 N ATOM 464 CA LEU A 33 0.735 -13.698 -0.204 1.00 0.00 C ATOM 465 C LEU A 33 -0.040 -13.836 -1.512 1.00 0.00 C ATOM 466 O LEU A 33 -0.066 -14.897 -2.133 1.00 0.00 O ATOM 467 CB LEU A 33 0.926 -15.088 0.422 1.00 0.00 C ATOM 468 CG LEU A 33 2.296 -15.645 0.029 1.00 0.00 C ATOM 469 CD1 LEU A 33 3.352 -15.156 1.021 1.00 0.00 C ATOM 470 CD2 LEU A 33 2.248 -17.174 0.049 1.00 0.00 C ATOM 0 H LEU A 33 0.461 -11.894 0.841 1.00 0.00 H new ATOM 0 HA LEU A 33 1.720 -13.271 -0.390 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.846 -15.023 1.507 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.138 -15.761 0.084 1.00 0.00 H new ATOM 0 HG LEU A 33 2.553 -15.301 -0.973 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.327 -15.554 0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.387 -14.067 1.008 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.096 -15.499 2.023 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.223 -17.572 -0.231 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.990 -17.517 1.051 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.497 -17.524 -0.659 1.00 0.00 H new ATOM 482 N ARG A 34 -0.678 -12.736 -1.912 1.00 0.00 N ATOM 483 CA ARG A 34 -1.468 -12.714 -3.141 1.00 0.00 C ATOM 484 C ARG A 34 -0.561 -12.795 -4.364 1.00 0.00 C ATOM 485 O ARG A 34 -0.844 -13.520 -5.319 1.00 0.00 O ATOM 486 CB ARG A 34 -2.289 -11.423 -3.213 1.00 0.00 C ATOM 487 CG ARG A 34 -3.334 -11.536 -4.324 1.00 0.00 C ATOM 488 CD ARG A 34 -3.520 -10.173 -4.994 1.00 0.00 C ATOM 489 NE ARG A 34 -4.346 -10.296 -6.192 1.00 0.00 N ATOM 490 CZ ARG A 34 -5.674 -10.255 -6.116 1.00 0.00 C ATOM 491 NH1 ARG A 34 -6.277 -9.137 -5.818 1.00 0.00 N ATOM 492 NH2 ARG A 34 -6.373 -11.333 -6.342 1.00 0.00 N ATOM 0 H ARG A 34 -0.663 -11.852 -1.404 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.135 -13.576 -3.132 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.779 -11.239 -2.257 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.633 -10.574 -3.403 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.018 -12.275 -5.061 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.282 -11.882 -3.912 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.986 -9.479 -4.295 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.548 -9.756 -5.257 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.898 -10.415 -7.101 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -5.731 -8.294 -5.643 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -7.295 -9.106 -5.760 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.902 -12.207 -6.577 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -7.391 -11.302 -6.284 1.00 0.00 H new ATOM 506 N PHE A 35 0.534 -12.039 -4.326 1.00 0.00 N ATOM 507 CA PHE A 35 1.487 -12.023 -5.438 1.00 0.00 C ATOM 508 C PHE A 35 1.999 -13.432 -5.746 1.00 0.00 C ATOM 509 O PHE A 35 2.456 -13.709 -6.856 1.00 0.00 O ATOM 510 CB PHE A 35 2.679 -11.118 -5.101 1.00 0.00 C ATOM 511 CG PHE A 35 2.349 -9.672 -5.422 1.00 0.00 C ATOM 512 CD1 PHE A 35 1.130 -9.113 -5.008 1.00 0.00 C ATOM 513 CD2 PHE A 35 3.269 -8.885 -6.131 1.00 0.00 C ATOM 514 CE1 PHE A 35 0.835 -7.777 -5.304 1.00 0.00 C ATOM 515 CE2 PHE A 35 2.970 -7.551 -6.424 1.00 0.00 C ATOM 516 CZ PHE A 35 1.755 -6.997 -6.012 1.00 0.00 C ATOM 0 H PHE A 35 0.784 -11.433 -3.544 1.00 0.00 H new ATOM 0 HA PHE A 35 0.967 -11.638 -6.315 1.00 0.00 H new ATOM 0 HB2 PHE A 35 2.931 -11.215 -4.045 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.555 -11.433 -5.668 1.00 0.00 H new ATOM 0 HD1 PHE A 35 0.419 -9.714 -4.461 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.209 -9.310 -6.451 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -0.104 -7.348 -4.985 1.00 0.00 H new ATOM 0 HE2 PHE A 35 3.680 -6.947 -6.970 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.526 -5.966 -6.240 1.00 0.00 H new ATOM 526 N GLU A 36 1.923 -14.321 -4.756 1.00 0.00 N ATOM 527 CA GLU A 36 2.384 -15.696 -4.940 1.00 0.00 C ATOM 528 C GLU A 36 1.352 -16.513 -5.713 1.00 0.00 C ATOM 529 O GLU A 36 1.681 -17.191 -6.687 1.00 0.00 O ATOM 530 CB GLU A 36 2.634 -16.362 -3.586 1.00 0.00 C ATOM 531 CG GLU A 36 4.047 -16.023 -3.106 1.00 0.00 C ATOM 532 CD GLU A 36 4.609 -17.197 -2.311 1.00 0.00 C ATOM 533 OE1 GLU A 36 4.440 -18.322 -2.754 1.00 0.00 O ATOM 534 OE2 GLU A 36 5.200 -16.955 -1.272 1.00 0.00 O ATOM 0 H GLU A 36 1.551 -14.117 -3.828 1.00 0.00 H new ATOM 0 HA GLU A 36 3.314 -15.662 -5.507 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.899 -16.019 -2.858 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.517 -17.442 -3.672 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.690 -15.806 -3.959 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.027 -15.127 -2.486 1.00 0.00 H new ATOM 541 N ASP A 37 0.096 -16.444 -5.270 1.00 0.00 N ATOM 542 CA ASP A 37 -0.980 -17.185 -5.929 1.00 0.00 C ATOM 543 C ASP A 37 -1.096 -16.761 -7.392 1.00 0.00 C ATOM 544 O ASP A 37 -0.802 -17.534 -8.304 1.00 0.00 O ATOM 545 CB ASP A 37 -2.317 -16.933 -5.223 1.00 0.00 C ATOM 546 CG ASP A 37 -3.153 -18.209 -5.235 1.00 0.00 C ATOM 547 OD1 ASP A 37 -2.859 -19.093 -4.448 1.00 0.00 O ATOM 548 OD2 ASP A 37 -4.074 -18.282 -6.031 1.00 0.00 O ATOM 0 H ASP A 37 -0.199 -15.889 -4.467 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.742 -18.247 -5.877 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.142 -16.611 -4.196 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.857 -16.128 -5.722 1.00 0.00 H new ATOM 553 N ILE A 38 -1.516 -15.517 -7.602 1.00 0.00 N ATOM 554 CA ILE A 38 -1.652 -14.986 -8.954 1.00 0.00 C ATOM 555 C ILE A 38 -0.260 -14.850 -9.582 1.00 0.00 C ATOM 556 O ILE A 38 0.744 -14.954 -8.882 1.00 0.00 O ATOM 557 CB ILE A 38 -2.369 -13.621 -8.905 1.00 0.00 C ATOM 558 CG1 ILE A 38 -2.666 -13.132 -10.324 1.00 0.00 C ATOM 559 CG2 ILE A 38 -1.500 -12.586 -8.179 1.00 0.00 C ATOM 560 CD1 ILE A 38 -3.771 -12.074 -10.279 1.00 0.00 C ATOM 0 H ILE A 38 -1.766 -14.863 -6.860 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.249 -15.664 -9.564 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.306 -13.743 -8.361 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.765 -12.713 -10.772 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.974 -13.968 -10.951 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.020 -11.628 -8.153 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.308 -12.923 -7.160 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.554 -12.471 -8.707 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.983 -11.726 -11.290 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.673 -12.508 -9.849 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.445 -11.233 -9.666 1.00 0.00 H new ATOM 572 N GLY A 39 -0.208 -14.630 -10.897 1.00 0.00 N ATOM 573 CA GLY A 39 1.073 -14.488 -11.589 1.00 0.00 C ATOM 574 C GLY A 39 1.638 -13.085 -11.387 1.00 0.00 C ATOM 575 O GLY A 39 1.542 -12.225 -12.262 1.00 0.00 O ATOM 0 H GLY A 39 -1.028 -14.547 -11.498 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.780 -15.228 -11.214 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.942 -14.684 -12.653 1.00 0.00 H new ATOM 579 N TYR A 40 2.225 -12.871 -10.216 1.00 0.00 N ATOM 580 CA TYR A 40 2.808 -11.578 -9.875 1.00 0.00 C ATOM 581 C TYR A 40 4.071 -11.789 -9.039 1.00 0.00 C ATOM 582 O TYR A 40 4.291 -11.122 -8.027 1.00 0.00 O ATOM 583 CB TYR A 40 1.804 -10.739 -9.073 1.00 0.00 C ATOM 584 CG TYR A 40 0.992 -9.875 -10.010 1.00 0.00 C ATOM 585 CD1 TYR A 40 0.004 -10.451 -10.817 1.00 0.00 C ATOM 586 CD2 TYR A 40 1.228 -8.498 -10.070 1.00 0.00 C ATOM 587 CE1 TYR A 40 -0.747 -9.649 -11.684 1.00 0.00 C ATOM 588 CE2 TYR A 40 0.478 -7.695 -10.937 1.00 0.00 C ATOM 589 CZ TYR A 40 -0.510 -8.271 -11.744 1.00 0.00 C ATOM 590 OH TYR A 40 -1.250 -7.480 -12.599 1.00 0.00 O ATOM 0 H TYR A 40 2.310 -13.577 -9.485 1.00 0.00 H new ATOM 0 HA TYR A 40 3.059 -11.052 -10.796 1.00 0.00 H new ATOM 0 HB2 TYR A 40 1.144 -11.393 -8.503 1.00 0.00 H new ATOM 0 HB3 TYR A 40 2.332 -10.114 -8.353 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -0.179 -11.514 -10.771 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.990 -8.054 -9.447 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.509 -10.093 -12.307 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.661 -6.632 -10.983 1.00 0.00 H new ATOM 0 HH TYR A 40 -2.189 -7.485 -12.319 1.00 0.00 H new ATOM 600 N ASP A 41 4.897 -12.738 -9.473 1.00 0.00 N ATOM 601 CA ASP A 41 6.134 -13.046 -8.756 1.00 0.00 C ATOM 602 C ASP A 41 7.047 -11.825 -8.687 1.00 0.00 C ATOM 603 O ASP A 41 7.521 -11.450 -7.615 1.00 0.00 O ATOM 604 CB ASP A 41 6.888 -14.202 -9.430 1.00 0.00 C ATOM 605 CG ASP A 41 6.964 -13.982 -10.938 1.00 0.00 C ATOM 606 OD1 ASP A 41 6.046 -14.401 -11.626 1.00 0.00 O ATOM 607 OD2 ASP A 41 7.939 -13.400 -11.385 1.00 0.00 O ATOM 0 H ASP A 41 4.736 -13.302 -10.308 1.00 0.00 H new ATOM 0 HA ASP A 41 5.855 -13.341 -7.744 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.894 -14.278 -9.016 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.384 -15.145 -9.219 1.00 0.00 H new ATOM 612 N SER A 42 7.289 -11.206 -9.840 1.00 0.00 N ATOM 613 CA SER A 42 8.150 -10.023 -9.899 1.00 0.00 C ATOM 614 C SER A 42 8.327 -9.561 -11.342 1.00 0.00 C ATOM 615 O SER A 42 7.982 -8.433 -11.693 1.00 0.00 O ATOM 616 CB SER A 42 9.531 -10.323 -9.308 1.00 0.00 C ATOM 617 OG SER A 42 10.408 -9.239 -9.584 1.00 0.00 O ATOM 0 H SER A 42 6.906 -11.499 -10.739 1.00 0.00 H new ATOM 0 HA SER A 42 7.669 -9.238 -9.316 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.453 -10.477 -8.232 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.929 -11.244 -9.734 1.00 0.00 H new ATOM 0 HG SER A 42 9.947 -8.392 -9.409 1.00 0.00 H new ATOM 623 N LEU A 43 8.873 -10.448 -12.173 1.00 0.00 N ATOM 624 CA LEU A 43 9.103 -10.128 -13.585 1.00 0.00 C ATOM 625 C LEU A 43 7.808 -9.682 -14.260 1.00 0.00 C ATOM 626 O LEU A 43 7.821 -8.864 -15.179 1.00 0.00 O ATOM 627 CB LEU A 43 9.654 -11.348 -14.326 1.00 0.00 C ATOM 628 CG LEU A 43 11.166 -11.433 -14.119 1.00 0.00 C ATOM 629 CD1 LEU A 43 11.687 -12.750 -14.696 1.00 0.00 C ATOM 630 CD2 LEU A 43 11.844 -10.262 -14.835 1.00 0.00 C ATOM 0 H LEU A 43 9.163 -11.387 -11.898 1.00 0.00 H new ATOM 0 HA LEU A 43 9.828 -9.315 -13.626 1.00 0.00 H new ATOM 0 HB2 LEU A 43 9.175 -12.256 -13.959 1.00 0.00 H new ATOM 0 HB3 LEU A 43 9.426 -11.274 -15.389 1.00 0.00 H new ATOM 0 HG LEU A 43 11.390 -11.389 -13.053 1.00 0.00 H new ATOM 0 HD11 LEU A 43 12.765 -12.811 -14.548 1.00 0.00 H new ATOM 0 HD12 LEU A 43 11.204 -13.586 -14.189 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.464 -12.794 -15.762 1.00 0.00 H new ATOM 0 HD21 LEU A 43 12.922 -10.321 -14.688 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.620 -10.308 -15.901 1.00 0.00 H new ATOM 0 HD23 LEU A 43 11.473 -9.322 -14.426 1.00 0.00 H new ATOM 642 N ALA A 44 6.691 -10.229 -13.791 1.00 0.00 N ATOM 643 CA ALA A 44 5.391 -9.880 -14.355 1.00 0.00 C ATOM 644 C ALA A 44 5.002 -8.461 -13.950 1.00 0.00 C ATOM 645 O ALA A 44 4.576 -7.658 -14.781 1.00 0.00 O ATOM 646 CB ALA A 44 4.316 -10.851 -13.866 1.00 0.00 C ATOM 0 H ALA A 44 6.658 -10.908 -13.031 1.00 0.00 H new ATOM 0 HA ALA A 44 5.466 -9.942 -15.441 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.353 -10.575 -14.297 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.574 -11.864 -14.173 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.253 -10.807 -12.779 1.00 0.00 H new ATOM 652 N LEU A 45 5.149 -8.163 -12.662 1.00 0.00 N ATOM 653 CA LEU A 45 4.806 -6.837 -12.154 1.00 0.00 C ATOM 654 C LEU A 45 6.002 -5.879 -12.201 1.00 0.00 C ATOM 655 O LEU A 45 5.955 -4.786 -11.638 1.00 0.00 O ATOM 656 CB LEU A 45 4.292 -6.946 -10.716 1.00 0.00 C ATOM 657 CG LEU A 45 5.408 -7.441 -9.776 1.00 0.00 C ATOM 658 CD1 LEU A 45 5.848 -6.304 -8.854 1.00 0.00 C ATOM 659 CD2 LEU A 45 4.888 -8.598 -8.918 1.00 0.00 C ATOM 0 H LEU A 45 5.499 -8.813 -11.958 1.00 0.00 H new ATOM 0 HA LEU A 45 4.026 -6.431 -12.798 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.930 -5.975 -10.379 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.446 -7.632 -10.678 1.00 0.00 H new ATOM 0 HG LEU A 45 6.252 -7.778 -10.378 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.637 -6.658 -8.191 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.223 -5.474 -9.453 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.998 -5.968 -8.260 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.681 -8.944 -8.255 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.041 -8.258 -8.323 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.572 -9.417 -9.564 1.00 0.00 H new ATOM 671 N MET A 46 7.071 -6.295 -12.872 1.00 0.00 N ATOM 672 CA MET A 46 8.264 -5.458 -12.978 1.00 0.00 C ATOM 673 C MET A 46 8.045 -4.346 -13.998 1.00 0.00 C ATOM 674 O MET A 46 8.266 -3.169 -13.712 1.00 0.00 O ATOM 675 CB MET A 46 9.473 -6.292 -13.407 1.00 0.00 C ATOM 676 CG MET A 46 10.747 -5.688 -12.815 1.00 0.00 C ATOM 677 SD MET A 46 12.007 -6.977 -12.652 1.00 0.00 S ATOM 678 CE MET A 46 13.066 -6.111 -11.468 1.00 0.00 C ATOM 0 H MET A 46 7.138 -7.196 -13.346 1.00 0.00 H new ATOM 0 HA MET A 46 8.454 -5.023 -11.997 1.00 0.00 H new ATOM 0 HB2 MET A 46 9.356 -7.322 -13.070 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.542 -6.319 -14.494 1.00 0.00 H new ATOM 0 HG2 MET A 46 11.113 -4.885 -13.455 1.00 0.00 H new ATOM 0 HG3 MET A 46 10.535 -5.247 -11.841 1.00 0.00 H new ATOM 0 HE1 MET A 46 13.924 -6.737 -11.222 1.00 0.00 H new ATOM 0 HE2 MET A 46 13.413 -5.176 -11.907 1.00 0.00 H new ATOM 0 HE3 MET A 46 12.500 -5.898 -10.561 1.00 0.00 H new ATOM 688 N GLU A 47 7.610 -4.734 -15.194 1.00 0.00 N ATOM 689 CA GLU A 47 7.365 -3.764 -16.259 1.00 0.00 C ATOM 690 C GLU A 47 6.112 -2.944 -15.955 1.00 0.00 C ATOM 691 O GLU A 47 6.092 -1.726 -16.131 1.00 0.00 O ATOM 692 CB GLU A 47 7.192 -4.485 -17.607 1.00 0.00 C ATOM 693 CG GLU A 47 8.180 -3.920 -18.633 1.00 0.00 C ATOM 694 CD GLU A 47 7.839 -2.462 -18.919 1.00 0.00 C ATOM 695 OE1 GLU A 47 6.889 -2.227 -19.647 1.00 0.00 O ATOM 696 OE2 GLU A 47 8.533 -1.600 -18.404 1.00 0.00 O ATOM 0 H GLU A 47 7.421 -5.703 -15.449 1.00 0.00 H new ATOM 0 HA GLU A 47 8.224 -3.095 -16.317 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.358 -5.555 -17.481 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.171 -4.361 -17.967 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.199 -3.998 -18.254 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.137 -4.502 -19.554 1.00 0.00 H new ATOM 703 N THR A 48 5.066 -3.630 -15.499 1.00 0.00 N ATOM 704 CA THR A 48 3.808 -2.958 -15.174 1.00 0.00 C ATOM 705 C THR A 48 4.020 -1.927 -14.070 1.00 0.00 C ATOM 706 O THR A 48 3.556 -0.790 -14.163 1.00 0.00 O ATOM 707 CB THR A 48 2.763 -3.977 -14.710 1.00 0.00 C ATOM 708 OG1 THR A 48 2.665 -5.022 -15.668 1.00 0.00 O ATOM 709 CG2 THR A 48 1.405 -3.289 -14.562 1.00 0.00 C ATOM 0 H THR A 48 5.062 -4.639 -15.347 1.00 0.00 H new ATOM 0 HA THR A 48 3.454 -2.456 -16.074 1.00 0.00 H new ATOM 0 HB THR A 48 3.063 -4.392 -13.748 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.998 -5.676 -15.372 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.663 -4.016 -14.232 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.481 -2.488 -13.826 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.102 -2.872 -15.522 1.00 0.00 H new ATOM 717 N ALA A 49 4.726 -2.338 -13.022 1.00 0.00 N ATOM 718 CA ALA A 49 4.998 -1.446 -11.897 1.00 0.00 C ATOM 719 C ALA A 49 5.778 -0.220 -12.360 1.00 0.00 C ATOM 720 O ALA A 49 5.539 0.895 -11.898 1.00 0.00 O ATOM 721 CB ALA A 49 5.807 -2.173 -10.820 1.00 0.00 C ATOM 0 H ALA A 49 5.118 -3.275 -12.927 1.00 0.00 H new ATOM 0 HA ALA A 49 4.041 -1.130 -11.482 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.001 -1.494 -9.990 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.243 -3.034 -10.461 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.754 -2.510 -11.242 1.00 0.00 H new ATOM 727 N ALA A 50 6.712 -0.441 -13.281 1.00 0.00 N ATOM 728 CA ALA A 50 7.525 0.653 -13.806 1.00 0.00 C ATOM 729 C ALA A 50 6.648 1.666 -14.535 1.00 0.00 C ATOM 730 O ALA A 50 6.916 2.869 -14.518 1.00 0.00 O ATOM 731 CB ALA A 50 8.579 0.118 -14.776 1.00 0.00 C ATOM 0 H ALA A 50 6.924 -1.357 -13.676 1.00 0.00 H new ATOM 0 HA ALA A 50 8.019 1.139 -12.965 1.00 0.00 H new ATOM 0 HB1 ALA A 50 9.176 0.946 -15.158 1.00 0.00 H new ATOM 0 HB2 ALA A 50 9.227 -0.587 -14.256 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.086 -0.387 -15.607 1.00 0.00 H new ATOM 737 N ARG A 51 5.597 1.168 -15.178 1.00 0.00 N ATOM 738 CA ARG A 51 4.683 2.036 -15.915 1.00 0.00 C ATOM 739 C ARG A 51 3.957 2.978 -14.960 1.00 0.00 C ATOM 740 O ARG A 51 3.935 4.193 -15.159 1.00 0.00 O ATOM 741 CB ARG A 51 3.649 1.203 -16.674 1.00 0.00 C ATOM 742 CG ARG A 51 3.237 1.938 -17.951 1.00 0.00 C ATOM 743 CD ARG A 51 2.888 0.921 -19.037 1.00 0.00 C ATOM 744 NE ARG A 51 1.453 0.644 -19.042 1.00 0.00 N ATOM 745 CZ ARG A 51 0.699 0.955 -20.091 1.00 0.00 C ATOM 746 NH1 ARG A 51 0.669 0.166 -21.130 1.00 0.00 N ATOM 747 NH2 ARG A 51 -0.010 2.050 -20.083 1.00 0.00 N ATOM 0 H ARG A 51 5.357 0.177 -15.205 1.00 0.00 H new ATOM 0 HA ARG A 51 5.271 2.619 -16.624 1.00 0.00 H new ATOM 0 HB2 ARG A 51 4.065 0.226 -16.922 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.776 1.027 -16.045 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.380 2.581 -17.752 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.048 2.583 -18.289 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.193 1.302 -20.011 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.441 -0.003 -18.869 1.00 0.00 H new ATOM 0 HE ARG A 51 1.024 0.205 -18.228 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.224 -0.690 -21.137 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.090 0.405 -21.935 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.014 2.667 -19.272 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.589 2.289 -20.888 1.00 0.00 H new ATOM 761 N LEU A 52 3.363 2.403 -13.920 1.00 0.00 N ATOM 762 CA LEU A 52 2.632 3.198 -12.933 1.00 0.00 C ATOM 763 C LEU A 52 3.583 3.886 -11.945 1.00 0.00 C ATOM 764 O LEU A 52 3.146 4.678 -11.108 1.00 0.00 O ATOM 765 CB LEU A 52 1.665 2.308 -12.150 1.00 0.00 C ATOM 766 CG LEU A 52 0.703 1.622 -13.121 1.00 0.00 C ATOM 767 CD1 LEU A 52 0.199 0.316 -12.506 1.00 0.00 C ATOM 768 CD2 LEU A 52 -0.485 2.548 -13.397 1.00 0.00 C ATOM 0 H LEU A 52 3.371 1.400 -13.737 1.00 0.00 H new ATOM 0 HA LEU A 52 2.080 3.964 -13.478 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.220 1.561 -11.583 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.107 2.905 -11.429 1.00 0.00 H new ATOM 0 HG LEU A 52 1.222 1.405 -14.055 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.486 -0.172 -13.199 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.044 -0.343 -12.308 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.321 0.530 -11.572 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.172 2.061 -14.089 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.003 2.764 -12.463 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.126 3.479 -13.836 1.00 0.00 H new ATOM 780 N GLU A 53 4.880 3.585 -12.038 1.00 0.00 N ATOM 781 CA GLU A 53 5.855 4.193 -11.136 1.00 0.00 C ATOM 782 C GLU A 53 6.155 5.631 -11.552 1.00 0.00 C ATOM 783 O GLU A 53 6.493 6.472 -10.719 1.00 0.00 O ATOM 784 CB GLU A 53 7.160 3.390 -11.138 1.00 0.00 C ATOM 785 CG GLU A 53 8.107 3.932 -10.056 1.00 0.00 C ATOM 786 CD GLU A 53 8.715 2.772 -9.274 1.00 0.00 C ATOM 787 OE1 GLU A 53 7.997 1.824 -9.002 1.00 0.00 O ATOM 788 OE2 GLU A 53 9.891 2.848 -8.957 1.00 0.00 O ATOM 0 H GLU A 53 5.273 2.934 -12.718 1.00 0.00 H new ATOM 0 HA GLU A 53 5.427 4.191 -10.134 1.00 0.00 H new ATOM 0 HB2 GLU A 53 6.949 2.336 -10.955 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.636 3.455 -12.116 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.897 4.527 -10.515 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.563 4.592 -9.381 1.00 0.00 H new ATOM 795 N SER A 54 6.034 5.906 -12.847 1.00 0.00 N ATOM 796 CA SER A 54 6.301 7.249 -13.357 1.00 0.00 C ATOM 797 C SER A 54 5.018 8.075 -13.402 1.00 0.00 C ATOM 798 O SER A 54 5.045 9.296 -13.245 1.00 0.00 O ATOM 799 CB SER A 54 6.895 7.177 -14.763 1.00 0.00 C ATOM 800 OG SER A 54 7.707 6.015 -14.870 1.00 0.00 O ATOM 0 H SER A 54 5.756 5.227 -13.556 1.00 0.00 H new ATOM 0 HA SER A 54 7.013 7.726 -12.683 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.098 7.148 -15.506 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.488 8.069 -14.966 1.00 0.00 H new ATOM 0 HG SER A 54 8.089 5.964 -15.771 1.00 0.00 H new ATOM 806 N ARG A 55 3.896 7.397 -13.622 1.00 0.00 N ATOM 807 CA ARG A 55 2.606 8.080 -13.693 1.00 0.00 C ATOM 808 C ARG A 55 2.199 8.610 -12.321 1.00 0.00 C ATOM 809 O ARG A 55 1.890 9.790 -12.163 1.00 0.00 O ATOM 810 CB ARG A 55 1.522 7.125 -14.197 1.00 0.00 C ATOM 811 CG ARG A 55 0.268 7.925 -14.561 1.00 0.00 C ATOM 812 CD ARG A 55 0.342 8.369 -16.025 1.00 0.00 C ATOM 813 NE ARG A 55 -0.505 7.525 -16.862 1.00 0.00 N ATOM 814 CZ ARG A 55 -1.589 8.017 -17.456 1.00 0.00 C ATOM 815 NH1 ARG A 55 -2.343 8.878 -16.828 1.00 0.00 N ATOM 816 NH2 ARG A 55 -1.898 7.639 -18.666 1.00 0.00 N ATOM 0 H ARG A 55 3.852 6.386 -13.753 1.00 0.00 H new ATOM 0 HA ARG A 55 2.710 8.915 -14.386 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.882 6.576 -15.067 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.286 6.388 -13.430 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.622 7.316 -14.401 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.180 8.796 -13.911 1.00 0.00 H new ATOM 0 HD2 ARG A 55 0.027 9.409 -16.111 1.00 0.00 H new ATOM 0 HD3 ARG A 55 1.373 8.318 -16.374 1.00 0.00 H new ATOM 0 HE ARG A 55 -0.262 6.543 -16.994 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -2.101 9.173 -15.882 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -3.174 9.255 -17.283 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -1.309 6.966 -19.156 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -2.729 8.016 -19.122 1.00 0.00 H new ATOM 830 N TYR A 56 2.193 7.720 -11.332 1.00 0.00 N ATOM 831 CA TYR A 56 1.813 8.108 -9.975 1.00 0.00 C ATOM 832 C TYR A 56 3.008 8.679 -9.219 1.00 0.00 C ATOM 833 O TYR A 56 2.859 9.558 -8.370 1.00 0.00 O ATOM 834 CB TYR A 56 1.269 6.901 -9.207 1.00 0.00 C ATOM 835 CG TYR A 56 -0.220 6.789 -9.432 1.00 0.00 C ATOM 836 CD1 TYR A 56 -0.721 6.620 -10.729 1.00 0.00 C ATOM 837 CD2 TYR A 56 -1.100 6.853 -8.345 1.00 0.00 C ATOM 838 CE1 TYR A 56 -2.102 6.516 -10.939 1.00 0.00 C ATOM 839 CE2 TYR A 56 -2.480 6.749 -8.555 1.00 0.00 C ATOM 840 CZ TYR A 56 -2.981 6.581 -9.851 1.00 0.00 C ATOM 841 OH TYR A 56 -4.341 6.478 -10.058 1.00 0.00 O ATOM 0 H TYR A 56 2.443 6.737 -11.441 1.00 0.00 H new ATOM 0 HA TYR A 56 1.039 8.872 -10.053 1.00 0.00 H new ATOM 0 HB2 TYR A 56 1.767 5.990 -9.540 1.00 0.00 H new ATOM 0 HB3 TYR A 56 1.479 7.009 -8.143 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.042 6.570 -11.568 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -0.714 6.983 -7.345 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -2.488 6.386 -11.939 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -3.159 6.798 -7.716 1.00 0.00 H new ATOM 0 HH TYR A 56 -4.808 6.542 -9.199 1.00 0.00 H new ATOM 851 N GLY A 57 4.195 8.168 -9.531 1.00 0.00 N ATOM 852 CA GLY A 57 5.409 8.636 -8.866 1.00 0.00 C ATOM 853 C GLY A 57 5.436 8.173 -7.413 1.00 0.00 C ATOM 854 O GLY A 57 4.925 8.850 -6.522 1.00 0.00 O ATOM 0 H GLY A 57 4.343 7.440 -10.230 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.287 8.258 -9.390 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.457 9.724 -8.908 1.00 0.00 H new ATOM 858 N VAL A 58 6.036 7.008 -7.186 1.00 0.00 N ATOM 859 CA VAL A 58 6.122 6.459 -5.835 1.00 0.00 C ATOM 860 C VAL A 58 7.522 6.735 -5.241 1.00 0.00 C ATOM 861 O VAL A 58 7.751 7.803 -4.673 1.00 0.00 O ATOM 862 CB VAL A 58 5.737 4.947 -5.831 1.00 0.00 C ATOM 863 CG1 VAL A 58 6.312 4.216 -7.056 1.00 0.00 C ATOM 864 CG2 VAL A 58 6.218 4.256 -4.547 1.00 0.00 C ATOM 0 H VAL A 58 6.465 6.431 -7.910 1.00 0.00 H new ATOM 0 HA VAL A 58 5.400 6.958 -5.188 1.00 0.00 H new ATOM 0 HB VAL A 58 4.649 4.896 -5.874 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.024 3.165 -7.021 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.921 4.669 -7.967 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.399 4.295 -7.050 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.936 3.204 -4.572 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.302 4.339 -4.473 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.758 4.734 -3.682 1.00 0.00 H new ATOM 874 N SER A 59 8.452 5.784 -5.366 1.00 0.00 N ATOM 875 CA SER A 59 9.795 5.980 -4.827 1.00 0.00 C ATOM 876 C SER A 59 10.808 6.123 -5.956 1.00 0.00 C ATOM 877 O SER A 59 10.460 6.055 -7.136 1.00 0.00 O ATOM 878 CB SER A 59 10.196 4.795 -3.947 1.00 0.00 C ATOM 879 OG SER A 59 9.044 4.291 -3.285 1.00 0.00 O ATOM 0 H SER A 59 8.302 4.887 -5.828 1.00 0.00 H new ATOM 0 HA SER A 59 9.787 6.891 -4.229 1.00 0.00 H new ATOM 0 HB2 SER A 59 10.651 4.013 -4.555 1.00 0.00 H new ATOM 0 HB3 SER A 59 10.943 5.106 -3.216 1.00 0.00 H new ATOM 0 HG SER A 59 9.297 3.530 -2.721 1.00 0.00 H new ATOM 885 N ILE A 60 12.069 6.319 -5.582 1.00 0.00 N ATOM 886 CA ILE A 60 13.134 6.468 -6.573 1.00 0.00 C ATOM 887 C ILE A 60 13.639 5.101 -7.066 1.00 0.00 C ATOM 888 O ILE A 60 13.816 4.915 -8.270 1.00 0.00 O ATOM 889 CB ILE A 60 14.310 7.269 -6.003 1.00 0.00 C ATOM 890 CG1 ILE A 60 13.791 8.565 -5.372 1.00 0.00 C ATOM 891 CG2 ILE A 60 15.285 7.608 -7.131 1.00 0.00 C ATOM 892 CD1 ILE A 60 13.592 8.358 -3.869 1.00 0.00 C ATOM 0 H ILE A 60 12.378 6.378 -4.612 1.00 0.00 H new ATOM 0 HA ILE A 60 12.709 7.010 -7.418 1.00 0.00 H new ATOM 0 HB ILE A 60 14.820 6.676 -5.244 1.00 0.00 H new ATOM 0 HG12 ILE A 60 14.498 9.376 -5.548 1.00 0.00 H new ATOM 0 HG13 ILE A 60 12.849 8.857 -5.837 1.00 0.00 H new ATOM 0 HG21 ILE A 60 16.123 8.178 -6.729 1.00 0.00 H new ATOM 0 HG22 ILE A 60 15.655 6.687 -7.581 1.00 0.00 H new ATOM 0 HG23 ILE A 60 14.773 8.201 -7.888 1.00 0.00 H new ATOM 0 HD11 ILE A 60 13.223 9.280 -3.420 1.00 0.00 H new ATOM 0 HD12 ILE A 60 12.869 7.559 -3.704 1.00 0.00 H new ATOM 0 HD13 ILE A 60 14.543 8.087 -3.410 1.00 0.00 H new ATOM 904 N PRO A 61 13.882 4.124 -6.168 1.00 0.00 N ATOM 905 CA PRO A 61 14.367 2.797 -6.593 1.00 0.00 C ATOM 906 C PRO A 61 13.242 1.900 -7.105 1.00 0.00 C ATOM 907 O PRO A 61 12.128 1.916 -6.583 1.00 0.00 O ATOM 908 CB PRO A 61 14.959 2.235 -5.307 1.00 0.00 C ATOM 909 CG PRO A 61 14.277 2.954 -4.151 1.00 0.00 C ATOM 910 CD PRO A 61 13.696 4.259 -4.702 1.00 0.00 C ATOM 0 HA PRO A 61 15.071 2.856 -7.423 1.00 0.00 H new ATOM 0 HB2 PRO A 61 14.793 1.160 -5.244 1.00 0.00 H new ATOM 0 HB3 PRO A 61 16.037 2.393 -5.277 1.00 0.00 H new ATOM 0 HG2 PRO A 61 13.489 2.333 -3.724 1.00 0.00 H new ATOM 0 HG3 PRO A 61 14.990 3.158 -3.352 1.00 0.00 H new ATOM 0 HD2 PRO A 61 12.644 4.374 -4.439 1.00 0.00 H new ATOM 0 HD3 PRO A 61 14.220 5.130 -4.309 1.00 0.00 H new ATOM 918 N ASP A 62 13.551 1.116 -8.134 1.00 0.00 N ATOM 919 CA ASP A 62 12.562 0.211 -8.715 1.00 0.00 C ATOM 920 C ASP A 62 12.760 -1.212 -8.195 1.00 0.00 C ATOM 921 O ASP A 62 11.815 -1.998 -8.132 1.00 0.00 O ATOM 922 CB ASP A 62 12.676 0.204 -10.241 1.00 0.00 C ATOM 923 CG ASP A 62 11.946 1.415 -10.813 1.00 0.00 C ATOM 924 OD1 ASP A 62 12.091 2.488 -10.252 1.00 0.00 O ATOM 925 OD2 ASP A 62 11.253 1.250 -11.803 1.00 0.00 O ATOM 0 H ASP A 62 14.468 1.088 -8.579 1.00 0.00 H new ATOM 0 HA ASP A 62 11.573 0.566 -8.424 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.725 0.225 -10.538 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.249 -0.715 -10.644 1.00 0.00 H new ATOM 930 N ASP A 63 13.999 -1.537 -7.825 1.00 0.00 N ATOM 931 CA ASP A 63 14.310 -2.871 -7.315 1.00 0.00 C ATOM 932 C ASP A 63 13.468 -3.192 -6.082 1.00 0.00 C ATOM 933 O ASP A 63 13.083 -4.340 -5.858 1.00 0.00 O ATOM 934 CB ASP A 63 15.790 -2.968 -6.941 1.00 0.00 C ATOM 935 CG ASP A 63 16.147 -1.844 -5.974 1.00 0.00 C ATOM 936 OD1 ASP A 63 15.952 -2.029 -4.785 1.00 0.00 O ATOM 937 OD2 ASP A 63 16.607 -0.814 -6.439 1.00 0.00 O ATOM 0 H ASP A 63 14.796 -0.902 -7.868 1.00 0.00 H new ATOM 0 HA ASP A 63 14.082 -3.588 -8.104 1.00 0.00 H new ATOM 0 HB2 ASP A 63 15.997 -3.935 -6.483 1.00 0.00 H new ATOM 0 HB3 ASP A 63 16.407 -2.901 -7.837 1.00 0.00 H new ATOM 942 N VAL A 64 13.186 -2.166 -5.284 1.00 0.00 N ATOM 943 CA VAL A 64 12.389 -2.356 -4.074 1.00 0.00 C ATOM 944 C VAL A 64 10.950 -2.720 -4.443 1.00 0.00 C ATOM 945 O VAL A 64 10.357 -3.628 -3.861 1.00 0.00 O ATOM 946 CB VAL A 64 12.409 -1.081 -3.213 1.00 0.00 C ATOM 947 CG1 VAL A 64 11.775 0.088 -3.975 1.00 0.00 C ATOM 948 CG2 VAL A 64 11.635 -1.322 -1.912 1.00 0.00 C ATOM 0 H VAL A 64 13.492 -1.207 -5.449 1.00 0.00 H new ATOM 0 HA VAL A 64 12.822 -3.173 -3.496 1.00 0.00 H new ATOM 0 HB VAL A 64 13.445 -0.833 -2.982 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.797 0.983 -3.353 1.00 0.00 H new ATOM 0 HG12 VAL A 64 12.335 0.271 -4.892 1.00 0.00 H new ATOM 0 HG13 VAL A 64 10.742 -0.157 -4.223 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.652 -0.416 -1.306 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.603 -1.583 -2.146 1.00 0.00 H new ATOM 0 HG23 VAL A 64 12.099 -2.138 -1.358 1.00 0.00 H new ATOM 958 N ALA A 65 10.404 -2.006 -5.421 1.00 0.00 N ATOM 959 CA ALA A 65 9.038 -2.268 -5.868 1.00 0.00 C ATOM 960 C ALA A 65 9.015 -3.276 -7.025 1.00 0.00 C ATOM 961 O ALA A 65 7.971 -3.504 -7.635 1.00 0.00 O ATOM 962 CB ALA A 65 8.371 -0.970 -6.329 1.00 0.00 C ATOM 0 H ALA A 65 10.878 -1.250 -5.915 1.00 0.00 H new ATOM 0 HA ALA A 65 8.492 -2.686 -5.023 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.354 -1.181 -6.659 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.344 -0.261 -5.502 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.939 -0.542 -7.155 1.00 0.00 H new ATOM 968 N GLY A 66 10.169 -3.884 -7.319 1.00 0.00 N ATOM 969 CA GLY A 66 10.244 -4.864 -8.398 1.00 0.00 C ATOM 970 C GLY A 66 10.200 -6.276 -7.829 1.00 0.00 C ATOM 971 O GLY A 66 9.619 -7.184 -8.422 1.00 0.00 O ATOM 0 H GLY A 66 11.049 -3.716 -6.831 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.415 -4.717 -9.091 1.00 0.00 H new ATOM 0 HA3 GLY A 66 11.163 -4.721 -8.966 1.00 0.00 H new ATOM 975 N ARG A 67 10.816 -6.446 -6.662 1.00 0.00 N ATOM 976 CA ARG A 67 10.837 -7.749 -6.007 1.00 0.00 C ATOM 977 C ARG A 67 9.819 -7.783 -4.871 1.00 0.00 C ATOM 978 O ARG A 67 10.010 -8.467 -3.865 1.00 0.00 O ATOM 979 CB ARG A 67 12.227 -8.046 -5.443 1.00 0.00 C ATOM 980 CG ARG A 67 13.066 -8.765 -6.504 1.00 0.00 C ATOM 981 CD ARG A 67 14.169 -9.587 -5.829 1.00 0.00 C ATOM 982 NE ARG A 67 15.473 -8.961 -6.030 1.00 0.00 N ATOM 983 CZ ARG A 67 16.497 -9.652 -6.523 1.00 0.00 C ATOM 984 NH1 ARG A 67 16.502 -10.004 -7.780 1.00 0.00 N ATOM 985 NH2 ARG A 67 17.496 -9.980 -5.749 1.00 0.00 N ATOM 0 H ARG A 67 11.302 -5.706 -6.156 1.00 0.00 H new ATOM 0 HA ARG A 67 10.583 -8.506 -6.749 1.00 0.00 H new ATOM 0 HB2 ARG A 67 12.716 -7.119 -5.145 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.144 -8.664 -4.549 1.00 0.00 H new ATOM 0 HG2 ARG A 67 12.430 -9.417 -7.103 1.00 0.00 H new ATOM 0 HG3 ARG A 67 13.508 -8.038 -7.185 1.00 0.00 H new ATOM 0 HD2 ARG A 67 13.963 -9.676 -4.762 1.00 0.00 H new ATOM 0 HD3 ARG A 67 14.178 -10.598 -6.237 1.00 0.00 H new ATOM 0 HE ARG A 67 15.601 -7.978 -5.788 1.00 0.00 H new ATOM 0 HH11 ARG A 67 15.721 -9.749 -8.384 1.00 0.00 H new ATOM 0 HH12 ARG A 67 17.287 -10.534 -8.158 1.00 0.00 H new ATOM 0 HH21 ARG A 67 17.491 -9.706 -4.766 1.00 0.00 H new ATOM 0 HH22 ARG A 67 18.281 -10.510 -6.127 1.00 0.00 H new ATOM 999 N VAL A 68 8.732 -7.033 -5.045 1.00 0.00 N ATOM 1000 CA VAL A 68 7.683 -6.979 -4.032 1.00 0.00 C ATOM 1001 C VAL A 68 7.004 -8.344 -3.907 1.00 0.00 C ATOM 1002 O VAL A 68 6.357 -8.822 -4.840 1.00 0.00 O ATOM 1003 CB VAL A 68 6.648 -5.901 -4.401 1.00 0.00 C ATOM 1004 CG1 VAL A 68 5.971 -6.253 -5.729 1.00 0.00 C ATOM 1005 CG2 VAL A 68 5.588 -5.792 -3.298 1.00 0.00 C ATOM 0 H VAL A 68 8.557 -6.460 -5.870 1.00 0.00 H new ATOM 0 HA VAL A 68 8.131 -6.721 -3.072 1.00 0.00 H new ATOM 0 HB VAL A 68 7.161 -4.945 -4.503 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.241 -5.484 -5.980 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.723 -6.311 -6.516 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.467 -7.215 -5.637 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.860 -5.027 -3.567 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.082 -6.751 -3.184 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.068 -5.521 -2.358 1.00 0.00 H new ATOM 1015 N ASP A 69 7.167 -8.968 -2.743 1.00 0.00 N ATOM 1016 CA ASP A 69 6.572 -10.281 -2.505 1.00 0.00 C ATOM 1017 C ASP A 69 5.174 -10.137 -1.913 1.00 0.00 C ATOM 1018 O ASP A 69 4.250 -10.862 -2.282 1.00 0.00 O ATOM 1019 CB ASP A 69 7.439 -11.095 -1.542 1.00 0.00 C ATOM 1020 CG ASP A 69 8.725 -11.513 -2.246 1.00 0.00 C ATOM 1021 OD1 ASP A 69 9.235 -10.726 -3.026 1.00 0.00 O ATOM 1022 OD2 ASP A 69 9.183 -12.616 -1.994 1.00 0.00 O ATOM 0 H ASP A 69 7.699 -8.592 -1.958 1.00 0.00 H new ATOM 0 HA ASP A 69 6.508 -10.798 -3.463 1.00 0.00 H new ATOM 0 HB2 ASP A 69 7.672 -10.503 -0.657 1.00 0.00 H new ATOM 0 HB3 ASP A 69 6.895 -11.976 -1.202 1.00 0.00 H new ATOM 1027 N THR A 70 5.028 -9.192 -0.988 1.00 0.00 N ATOM 1028 CA THR A 70 3.735 -8.963 -0.350 1.00 0.00 C ATOM 1029 C THR A 70 2.900 -7.976 -1.175 1.00 0.00 C ATOM 1030 O THR A 70 3.450 -7.075 -1.810 1.00 0.00 O ATOM 1031 CB THR A 70 3.919 -8.402 1.064 1.00 0.00 C ATOM 1032 OG1 THR A 70 5.096 -7.607 1.110 1.00 0.00 O ATOM 1033 CG2 THR A 70 4.043 -9.557 2.061 1.00 0.00 C ATOM 0 H THR A 70 5.778 -8.580 -0.667 1.00 0.00 H new ATOM 0 HA THR A 70 3.217 -9.920 -0.291 1.00 0.00 H new ATOM 0 HB THR A 70 3.057 -7.789 1.325 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.153 -7.157 1.979 1.00 0.00 H new ATOM 0 HG21 THR A 70 4.174 -9.157 3.067 1.00 0.00 H new ATOM 0 HG22 THR A 70 3.139 -10.165 2.027 1.00 0.00 H new ATOM 0 HG23 THR A 70 4.904 -10.172 1.800 1.00 0.00 H new ATOM 1041 N PRO A 71 1.563 -8.125 -1.182 1.00 0.00 N ATOM 1042 CA PRO A 71 0.686 -7.222 -1.951 1.00 0.00 C ATOM 1043 C PRO A 71 0.435 -5.901 -1.225 1.00 0.00 C ATOM 1044 O PRO A 71 0.538 -4.825 -1.812 1.00 0.00 O ATOM 1045 CB PRO A 71 -0.596 -8.033 -2.069 1.00 0.00 C ATOM 1046 CG PRO A 71 -0.606 -9.023 -0.910 1.00 0.00 C ATOM 1047 CD PRO A 71 0.841 -9.184 -0.436 1.00 0.00 C ATOM 0 HA PRO A 71 1.116 -6.929 -2.909 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.469 -7.382 -2.027 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -0.634 -8.557 -3.024 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.238 -8.659 -0.099 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.015 -9.982 -1.227 1.00 0.00 H new ATOM 0 HD2 PRO A 71 0.929 -9.048 0.642 1.00 0.00 H new ATOM 0 HD3 PRO A 71 1.232 -10.175 -0.665 1.00 0.00 H new ATOM 1055 N ARG A 72 0.115 -5.998 0.064 1.00 0.00 N ATOM 1056 CA ARG A 72 -0.137 -4.805 0.876 1.00 0.00 C ATOM 1057 C ARG A 72 1.084 -3.875 0.854 1.00 0.00 C ATOM 1058 O ARG A 72 0.961 -2.673 1.075 1.00 0.00 O ATOM 1059 CB ARG A 72 -0.452 -5.211 2.326 1.00 0.00 C ATOM 1060 CG ARG A 72 -0.692 -3.968 3.198 1.00 0.00 C ATOM 1061 CD ARG A 72 -1.986 -3.271 2.772 1.00 0.00 C ATOM 1062 NE ARG A 72 -3.146 -4.105 3.075 1.00 0.00 N ATOM 1063 CZ ARG A 72 -3.419 -4.479 4.322 1.00 0.00 C ATOM 1064 NH1 ARG A 72 -3.557 -3.579 5.258 1.00 0.00 N ATOM 1065 NH2 ARG A 72 -3.550 -5.745 4.608 1.00 0.00 N ATOM 0 H ARG A 72 0.024 -6.881 0.567 1.00 0.00 H new ATOM 0 HA ARG A 72 -0.992 -4.275 0.457 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.334 -5.851 2.346 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.374 -5.793 2.734 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.753 -4.256 4.247 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.149 -3.280 3.105 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -2.076 -2.314 3.286 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.955 -3.057 1.704 1.00 0.00 H new ATOM 0 HE ARG A 72 -3.758 -4.406 2.317 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -3.455 -2.589 5.033 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.766 -3.866 6.214 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -3.443 -6.447 3.876 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -3.759 -6.033 5.564 1.00 0.00 H new ATOM 1079 N GLU A 73 2.261 -4.444 0.589 1.00 0.00 N ATOM 1080 CA GLU A 73 3.484 -3.647 0.544 1.00 0.00 C ATOM 1081 C GLU A 73 3.406 -2.613 -0.575 1.00 0.00 C ATOM 1082 O GLU A 73 3.805 -1.461 -0.404 1.00 0.00 O ATOM 1083 CB GLU A 73 4.700 -4.545 0.309 1.00 0.00 C ATOM 1084 CG GLU A 73 5.976 -3.780 0.664 1.00 0.00 C ATOM 1085 CD GLU A 73 7.160 -4.740 0.668 1.00 0.00 C ATOM 1086 OE1 GLU A 73 7.737 -4.942 -0.388 1.00 0.00 O ATOM 1087 OE2 GLU A 73 7.473 -5.260 1.727 1.00 0.00 O ATOM 0 H GLU A 73 2.391 -5.439 0.405 1.00 0.00 H new ATOM 0 HA GLU A 73 3.589 -3.138 1.502 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.623 -5.446 0.917 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.733 -4.865 -0.732 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.145 -2.980 -0.057 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.871 -3.311 1.642 1.00 0.00 H new ATOM 1094 N LEU A 74 2.889 -3.042 -1.726 1.00 0.00 N ATOM 1095 CA LEU A 74 2.759 -2.150 -2.880 1.00 0.00 C ATOM 1096 C LEU A 74 1.927 -0.915 -2.524 1.00 0.00 C ATOM 1097 O LEU A 74 2.361 0.222 -2.725 1.00 0.00 O ATOM 1098 CB LEU A 74 2.099 -2.889 -4.050 1.00 0.00 C ATOM 1099 CG LEU A 74 2.737 -2.446 -5.369 1.00 0.00 C ATOM 1100 CD1 LEU A 74 4.174 -2.964 -5.441 1.00 0.00 C ATOM 1101 CD2 LEU A 74 1.932 -3.016 -6.538 1.00 0.00 C ATOM 0 H LEU A 74 2.556 -3.993 -1.885 1.00 0.00 H new ATOM 0 HA LEU A 74 3.759 -1.829 -3.171 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.214 -3.966 -3.923 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.029 -2.682 -4.065 1.00 0.00 H new ATOM 0 HG LEU A 74 2.741 -1.357 -5.424 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.628 -2.648 -6.380 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.748 -2.561 -4.607 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.171 -4.053 -5.387 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.384 -2.702 -7.479 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.930 -4.105 -6.482 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.907 -2.648 -6.488 1.00 0.00 H new ATOM 1113 N LEU A 75 0.724 -1.148 -1.986 1.00 0.00 N ATOM 1114 CA LEU A 75 -0.165 -0.049 -1.595 1.00 0.00 C ATOM 1115 C LEU A 75 0.557 0.941 -0.678 1.00 0.00 C ATOM 1116 O LEU A 75 0.679 2.115 -0.998 1.00 0.00 O ATOM 1117 CB LEU A 75 -1.398 -0.601 -0.864 1.00 0.00 C ATOM 1118 CG LEU A 75 -2.358 0.541 -0.506 1.00 0.00 C ATOM 1119 CD1 LEU A 75 -3.066 1.029 -1.768 1.00 0.00 C ATOM 1120 CD2 LEU A 75 -3.395 0.037 0.499 1.00 0.00 C ATOM 0 H LEU A 75 0.347 -2.080 -1.813 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.474 0.469 -2.503 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.907 -1.330 -1.494 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.089 -1.123 0.041 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.795 1.364 -0.066 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.748 1.840 -1.512 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.327 1.388 -2.484 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.630 0.207 -2.210 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.078 0.847 0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.957 -0.787 0.059 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.890 -0.309 1.401 1.00 0.00 H new ATOM 1132 N ASP A 76 1.009 0.452 0.471 1.00 0.00 N ATOM 1133 CA ASP A 76 1.701 1.304 1.442 1.00 0.00 C ATOM 1134 C ASP A 76 2.909 2.011 0.819 1.00 0.00 C ATOM 1135 O ASP A 76 3.365 3.038 1.324 1.00 0.00 O ATOM 1136 CB ASP A 76 2.180 0.470 2.631 1.00 0.00 C ATOM 1137 CG ASP A 76 2.547 1.395 3.787 1.00 0.00 C ATOM 1138 OD1 ASP A 76 1.665 2.081 4.275 1.00 0.00 O ATOM 1139 OD2 ASP A 76 3.707 1.404 4.166 1.00 0.00 O ATOM 0 H ASP A 76 0.912 -0.523 0.756 1.00 0.00 H new ATOM 0 HA ASP A 76 0.987 2.058 1.773 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.398 -0.224 2.941 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.043 -0.130 2.343 1.00 0.00 H new ATOM 1144 N LEU A 77 3.431 1.452 -0.270 1.00 0.00 N ATOM 1145 CA LEU A 77 4.594 2.042 -0.933 1.00 0.00 C ATOM 1146 C LEU A 77 4.234 3.372 -1.594 1.00 0.00 C ATOM 1147 O LEU A 77 4.726 4.431 -1.202 1.00 0.00 O ATOM 1148 CB LEU A 77 5.142 1.091 -1.999 1.00 0.00 C ATOM 1149 CG LEU A 77 6.663 1.242 -2.087 1.00 0.00 C ATOM 1150 CD1 LEU A 77 7.328 0.307 -1.075 1.00 0.00 C ATOM 1151 CD2 LEU A 77 7.129 0.881 -3.499 1.00 0.00 C ATOM 0 H LEU A 77 3.074 0.603 -0.708 1.00 0.00 H new ATOM 0 HA LEU A 77 5.353 2.216 -0.170 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.882 0.062 -1.751 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.688 1.311 -2.965 1.00 0.00 H new ATOM 0 HG LEU A 77 6.940 2.273 -1.865 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.411 0.414 -1.137 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.995 0.564 -0.069 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.052 -0.724 -1.296 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.212 0.988 -3.563 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.852 -0.150 -3.721 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.655 1.547 -4.220 1.00 0.00 H new ATOM 1163 N ILE A 78 3.372 3.303 -2.607 1.00 0.00 N ATOM 1164 CA ILE A 78 2.953 4.509 -3.329 1.00 0.00 C ATOM 1165 C ILE A 78 2.326 5.525 -2.371 1.00 0.00 C ATOM 1166 O ILE A 78 2.470 6.736 -2.538 1.00 0.00 O ATOM 1167 CB ILE A 78 1.931 4.136 -4.411 1.00 0.00 C ATOM 1168 CG1 ILE A 78 2.545 3.096 -5.354 1.00 0.00 C ATOM 1169 CG2 ILE A 78 1.542 5.381 -5.211 1.00 0.00 C ATOM 1170 CD1 ILE A 78 1.465 2.109 -5.800 1.00 0.00 C ATOM 0 H ILE A 78 2.953 2.437 -2.946 1.00 0.00 H new ATOM 0 HA ILE A 78 3.834 4.957 -3.789 1.00 0.00 H new ATOM 0 HB ILE A 78 1.041 3.722 -3.937 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.982 3.590 -6.222 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.352 2.565 -4.850 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.816 5.109 -5.977 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.103 6.121 -4.542 1.00 0.00 H new ATOM 0 HG23 ILE A 78 2.429 5.801 -5.684 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.902 1.370 -6.471 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.049 1.606 -4.927 1.00 0.00 H new ATOM 0 HD13 ILE A 78 0.673 2.647 -6.320 1.00 0.00 H new ATOM 1182 N ASN A 79 1.624 5.003 -1.379 1.00 0.00 N ATOM 1183 CA ASN A 79 0.951 5.833 -0.379 1.00 0.00 C ATOM 1184 C ASN A 79 1.933 6.780 0.308 1.00 0.00 C ATOM 1185 O ASN A 79 1.780 8.000 0.254 1.00 0.00 O ATOM 1186 CB ASN A 79 0.300 4.941 0.682 1.00 0.00 C ATOM 1187 CG ASN A 79 -1.000 5.575 1.164 1.00 0.00 C ATOM 1188 OD1 ASN A 79 -1.030 6.754 1.515 1.00 0.00 O ATOM 1189 ND2 ASN A 79 -2.086 4.853 1.202 1.00 0.00 N ATOM 0 H ASN A 79 1.502 4.000 -1.240 1.00 0.00 H new ATOM 0 HA ASN A 79 0.193 6.425 -0.892 1.00 0.00 H new ATOM 0 HB2 ASN A 79 0.101 3.953 0.267 1.00 0.00 H new ATOM 0 HB3 ASN A 79 0.981 4.803 1.522 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.962 5.266 1.523 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.059 3.876 0.911 1.00 0.00 H new ATOM 1196 N GLY A 80 2.935 6.202 0.965 1.00 0.00 N ATOM 1197 CA GLY A 80 3.934 7.000 1.675 1.00 0.00 C ATOM 1198 C GLY A 80 4.640 7.971 0.733 1.00 0.00 C ATOM 1199 O GLY A 80 5.055 9.057 1.137 1.00 0.00 O ATOM 0 H GLY A 80 3.078 5.194 1.021 1.00 0.00 H new ATOM 0 HA2 GLY A 80 3.453 7.556 2.480 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.668 6.340 2.137 1.00 0.00 H new ATOM 1203 N ALA A 81 4.773 7.568 -0.526 1.00 0.00 N ATOM 1204 CA ALA A 81 5.436 8.413 -1.517 1.00 0.00 C ATOM 1205 C ALA A 81 4.637 9.690 -1.760 1.00 0.00 C ATOM 1206 O ALA A 81 5.205 10.762 -1.974 1.00 0.00 O ATOM 1207 CB ALA A 81 5.590 7.662 -2.840 1.00 0.00 C ATOM 0 H ALA A 81 4.436 6.674 -0.883 1.00 0.00 H new ATOM 0 HA ALA A 81 6.420 8.674 -1.128 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.085 8.305 -3.568 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.188 6.765 -2.682 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.606 7.380 -3.215 1.00 0.00 H new ATOM 1213 N LEU A 82 3.313 9.566 -1.725 1.00 0.00 N ATOM 1214 CA LEU A 82 2.443 10.720 -1.947 1.00 0.00 C ATOM 1215 C LEU A 82 2.458 11.644 -0.733 1.00 0.00 C ATOM 1216 O LEU A 82 2.393 12.866 -0.864 1.00 0.00 O ATOM 1217 CB LEU A 82 1.006 10.265 -2.212 1.00 0.00 C ATOM 1218 CG LEU A 82 0.802 10.070 -3.716 1.00 0.00 C ATOM 1219 CD1 LEU A 82 -0.348 9.089 -3.952 1.00 0.00 C ATOM 1220 CD2 LEU A 82 0.464 11.415 -4.363 1.00 0.00 C ATOM 0 H LEU A 82 2.822 8.690 -1.547 1.00 0.00 H new ATOM 0 HA LEU A 82 2.818 11.260 -2.816 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.805 9.333 -1.683 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.303 11.006 -1.832 1.00 0.00 H new ATOM 0 HG LEU A 82 1.716 9.672 -4.158 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.494 8.950 -5.023 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -0.109 8.131 -3.491 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.262 9.487 -3.510 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.319 11.277 -5.434 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -0.450 11.812 -3.921 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.282 12.115 -4.195 1.00 0.00 H new ATOM 1232 N ALA A 83 2.544 11.046 0.452 1.00 0.00 N ATOM 1233 CA ALA A 83 2.567 11.825 1.687 1.00 0.00 C ATOM 1234 C ALA A 83 3.819 12.693 1.742 1.00 0.00 C ATOM 1235 O ALA A 83 3.803 13.801 2.279 1.00 0.00 O ATOM 1236 CB ALA A 83 2.547 10.900 2.906 1.00 0.00 C ATOM 0 H ALA A 83 2.598 10.036 0.583 1.00 0.00 H new ATOM 0 HA ALA A 83 1.681 12.460 1.702 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.565 11.498 3.817 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.642 10.293 2.888 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.421 10.249 2.883 1.00 0.00 H new ATOM 1242 N GLU A 84 4.906 12.175 1.179 1.00 0.00 N ATOM 1243 CA GLU A 84 6.169 12.907 1.166 1.00 0.00 C ATOM 1244 C GLU A 84 6.412 13.527 -0.206 1.00 0.00 C ATOM 1245 O GLU A 84 7.552 13.653 -0.654 1.00 0.00 O ATOM 1246 CB GLU A 84 7.332 11.974 1.506 1.00 0.00 C ATOM 1247 CG GLU A 84 7.126 11.389 2.905 1.00 0.00 C ATOM 1248 CD GLU A 84 7.647 9.955 2.942 1.00 0.00 C ATOM 1249 OE1 GLU A 84 8.838 9.774 2.744 1.00 0.00 O ATOM 1250 OE2 GLU A 84 6.849 9.062 3.168 1.00 0.00 O ATOM 0 H GLU A 84 4.939 11.260 0.730 1.00 0.00 H new ATOM 0 HA GLU A 84 6.108 13.697 1.915 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.395 11.172 0.771 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.274 12.520 1.464 1.00 0.00 H new ATOM 0 HG2 GLU A 84 7.649 11.996 3.644 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.068 11.409 3.166 1.00 0.00 H new ATOM 1257 N ALA A 85 5.326 13.911 -0.870 1.00 0.00 N ATOM 1258 CA ALA A 85 5.428 14.519 -2.194 1.00 0.00 C ATOM 1259 C ALA A 85 5.652 16.023 -2.075 1.00 0.00 C ATOM 1260 O ALA A 85 6.456 16.606 -2.801 1.00 0.00 O ATOM 1261 CB ALA A 85 4.153 14.269 -3.001 1.00 0.00 C ATOM 0 H ALA A 85 4.374 13.814 -0.518 1.00 0.00 H new ATOM 0 HA ALA A 85 6.276 14.064 -2.706 1.00 0.00 H new ATOM 0 HB1 ALA A 85 4.249 14.730 -3.984 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.000 13.196 -3.116 1.00 0.00 H new ATOM 0 HB3 ALA A 85 3.301 14.703 -2.478 1.00 0.00 H new ATOM 1267 N ALA A 86 4.929 16.644 -1.146 1.00 0.00 N ATOM 1268 CA ALA A 86 5.055 18.083 -0.935 1.00 0.00 C ATOM 1269 C ALA A 86 5.636 18.371 0.445 1.00 0.00 C ATOM 1270 O ALA A 86 4.886 18.318 1.406 1.00 0.00 O ATOM 1271 CB ALA A 86 3.688 18.762 -1.052 1.00 0.00 C ATOM 1272 OXT ALA A 86 6.823 18.640 0.521 1.00 0.00 O ATOM 0 H ALA A 86 4.258 16.180 -0.534 1.00 0.00 H new ATOM 0 HA ALA A 86 5.724 18.478 -1.700 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.800 19.834 -0.892 1.00 0.00 H new ATOM 0 HB2 ALA A 86 3.277 18.584 -2.046 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.012 18.352 -0.301 1.00 0.00 H new