USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 780 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -139:sc= -7.46! (180deg=-10.1!) USER MOD Single : A 1 MET N :NH3+ -109:sc= 0.105 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= -4.93! USER MOD Single : A 20 HIS :FLIP no HE2:sc= -2.22! C(o=-5.1!,f=-2.2!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -157:sc= -1.13 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HE2:sc= -14.7! C(o=-15!,f=-21!) USER MOD Single : A 61 LYS NZ :NH3+ -143:sc= -0.353 (180deg=-1.76!) USER MOD Single : A 76 SER OG : rot 141:sc= 0.752 USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 36 N MET A 1 13.777 4.190 -7.353 1.00 0.00 N ATOM 37 CA MET A 1 12.543 3.444 -7.527 1.00 0.00 C ATOM 38 C MET A 1 11.788 3.913 -8.772 1.00 0.00 C ATOM 39 O MET A 1 12.212 4.855 -9.440 1.00 0.00 O ATOM 40 CB MET A 1 11.657 3.628 -6.293 1.00 0.00 C ATOM 41 CG MET A 1 10.944 4.981 -6.327 1.00 0.00 C ATOM 42 SD MET A 1 9.789 5.097 -4.971 1.00 0.00 S ATOM 43 CE MET A 1 8.989 3.508 -5.109 1.00 0.00 C ATOM 0 H1 MET A 1 14.588 3.572 -7.558 1.00 0.00 H new ATOM 0 H2 MET A 1 13.787 5.002 -8.003 1.00 0.00 H new ATOM 0 H3 MET A 1 13.841 4.531 -6.373 1.00 0.00 H new ATOM 0 HA MET A 1 12.793 2.390 -7.653 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.920 2.826 -6.247 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.264 3.555 -5.391 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.674 5.788 -6.263 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.418 5.101 -7.274 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.918 3.624 -4.943 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.160 3.100 -6.105 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.400 2.828 -4.363 1.00 0.00 H new ATOM 53 N ASP A 2 10.683 3.235 -9.046 1.00 0.00 N ATOM 54 CA ASP A 2 9.865 3.571 -10.199 1.00 0.00 C ATOM 55 C ASP A 2 8.786 2.503 -10.381 1.00 0.00 C ATOM 56 O ASP A 2 8.705 1.556 -9.599 1.00 0.00 O ATOM 57 CB ASP A 2 10.706 3.617 -11.476 1.00 0.00 C ATOM 58 CG ASP A 2 11.161 5.014 -11.901 1.00 0.00 C ATOM 59 OD1 ASP A 2 10.266 5.848 -12.160 1.00 0.00 O ATOM 60 OD2 ASP A 2 12.393 5.217 -11.958 1.00 0.00 O ATOM 0 H ASP A 2 10.335 2.454 -8.489 1.00 0.00 H new ATOM 0 HA ASP A 2 9.421 4.551 -10.024 1.00 0.00 H new ATOM 0 HB2 ASP A 2 11.587 2.992 -11.335 1.00 0.00 H new ATOM 0 HB3 ASP A 2 10.129 3.176 -12.289 1.00 0.00 H new ATOM 65 N LEU A 3 7.983 2.689 -11.419 1.00 0.00 N ATOM 66 CA LEU A 3 6.912 1.753 -11.714 1.00 0.00 C ATOM 67 C LEU A 3 7.509 0.373 -11.995 1.00 0.00 C ATOM 68 O LEU A 3 7.017 -0.635 -11.491 1.00 0.00 O ATOM 69 CB LEU A 3 6.032 2.285 -12.848 1.00 0.00 C ATOM 70 CG LEU A 3 4.948 3.286 -12.442 1.00 0.00 C ATOM 71 CD1 LEU A 3 3.757 2.572 -11.799 1.00 0.00 C ATOM 72 CD2 LEU A 3 5.520 4.378 -11.536 1.00 0.00 C ATOM 0 H LEU A 3 8.053 3.474 -12.066 1.00 0.00 H new ATOM 0 HA LEU A 3 6.252 1.646 -10.853 1.00 0.00 H new ATOM 0 HB2 LEU A 3 6.676 2.758 -13.590 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.551 1.437 -13.337 1.00 0.00 H new ATOM 0 HG LEU A 3 4.581 3.777 -13.343 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.001 3.305 -11.520 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.331 1.864 -12.509 1.00 0.00 H new ATOM 0 HD13 LEU A 3 4.090 2.037 -10.909 1.00 0.00 H new ATOM 0 HD21 LEU A 3 4.728 5.076 -11.263 1.00 0.00 H new ATOM 0 HD22 LEU A 3 5.931 3.924 -10.634 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.309 4.913 -12.065 1.00 0.00 H new ATOM 84 N GLU A 4 8.562 0.372 -12.800 1.00 0.00 N ATOM 85 CA GLU A 4 9.232 -0.868 -13.154 1.00 0.00 C ATOM 86 C GLU A 4 9.666 -1.616 -11.892 1.00 0.00 C ATOM 87 O GLU A 4 9.457 -2.823 -11.779 1.00 0.00 O ATOM 88 CB GLU A 4 10.426 -0.602 -14.073 1.00 0.00 C ATOM 89 CG GLU A 4 10.098 -0.974 -15.520 1.00 0.00 C ATOM 90 CD GLU A 4 11.351 -0.923 -16.397 1.00 0.00 C ATOM 91 OE1 GLU A 4 12.217 -1.802 -16.200 1.00 0.00 O ATOM 92 OE2 GLU A 4 11.414 -0.005 -17.244 1.00 0.00 O ATOM 0 H GLU A 4 8.967 1.210 -13.217 1.00 0.00 H new ATOM 0 HA GLU A 4 8.528 -1.496 -13.700 1.00 0.00 H new ATOM 0 HB2 GLU A 4 10.704 0.451 -14.018 1.00 0.00 H new ATOM 0 HB3 GLU A 4 11.287 -1.177 -13.732 1.00 0.00 H new ATOM 0 HG2 GLU A 4 9.667 -1.975 -15.553 1.00 0.00 H new ATOM 0 HG3 GLU A 4 9.346 -0.290 -15.914 1.00 0.00 H new ATOM 99 N THR A 5 10.262 -0.868 -10.976 1.00 0.00 N ATOM 100 CA THR A 5 10.728 -1.446 -9.726 1.00 0.00 C ATOM 101 C THR A 5 9.540 -1.820 -8.837 1.00 0.00 C ATOM 102 O THR A 5 9.596 -2.806 -8.103 1.00 0.00 O ATOM 103 CB THR A 5 11.686 -0.448 -9.072 1.00 0.00 C ATOM 104 OG1 THR A 5 12.963 -1.070 -9.184 1.00 0.00 O ATOM 105 CG2 THR A 5 11.462 -0.324 -7.563 1.00 0.00 C ATOM 0 H THR A 5 10.433 0.133 -11.074 1.00 0.00 H new ATOM 0 HA THR A 5 11.271 -2.375 -9.897 1.00 0.00 H new ATOM 0 HB THR A 5 11.566 0.530 -9.538 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.645 -0.490 -8.786 1.00 0.00 H new ATOM 0 HG21 THR A 5 12.167 0.396 -7.148 1.00 0.00 H new ATOM 0 HG22 THR A 5 10.444 0.015 -7.373 1.00 0.00 H new ATOM 0 HG23 THR A 5 11.615 -1.295 -7.091 1.00 0.00 H new ATOM 113 N LEU A 6 8.493 -1.014 -8.932 1.00 0.00 N ATOM 114 CA LEU A 6 7.295 -1.248 -8.145 1.00 0.00 C ATOM 115 C LEU A 6 6.760 -2.651 -8.444 1.00 0.00 C ATOM 116 O LEU A 6 6.395 -3.388 -7.529 1.00 0.00 O ATOM 117 CB LEU A 6 6.271 -0.136 -8.383 1.00 0.00 C ATOM 118 CG LEU A 6 6.092 0.866 -7.241 1.00 0.00 C ATOM 119 CD1 LEU A 6 7.345 0.930 -6.366 1.00 0.00 C ATOM 120 CD2 LEU A 6 5.696 2.243 -7.777 1.00 0.00 C ATOM 0 H LEU A 6 8.450 -0.198 -9.542 1.00 0.00 H new ATOM 0 HA LEU A 6 7.526 -1.214 -7.080 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.561 0.413 -9.279 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.305 -0.597 -8.590 1.00 0.00 H new ATOM 0 HG LEU A 6 5.275 0.520 -6.608 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.191 1.650 -5.562 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.542 -0.054 -5.940 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.196 1.240 -6.972 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.575 2.936 -6.945 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.474 2.611 -8.446 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.756 2.164 -8.323 1.00 0.00 H new ATOM 132 N ARG A 7 6.729 -2.976 -9.728 1.00 0.00 N ATOM 133 CA ARG A 7 6.245 -4.277 -10.159 1.00 0.00 C ATOM 134 C ARG A 7 7.163 -5.384 -9.637 1.00 0.00 C ATOM 135 O ARG A 7 6.702 -6.481 -9.324 1.00 0.00 O ATOM 136 CB ARG A 7 6.173 -4.360 -11.685 1.00 0.00 C ATOM 137 CG ARG A 7 5.983 -2.972 -12.301 1.00 0.00 C ATOM 138 CD ARG A 7 5.077 -3.038 -13.532 1.00 0.00 C ATOM 139 NE ARG A 7 5.880 -2.858 -14.762 1.00 0.00 N ATOM 140 CZ ARG A 7 6.661 -3.808 -15.294 1.00 0.00 C ATOM 141 NH1 ARG A 7 6.749 -5.010 -14.709 1.00 0.00 N ATOM 142 NH2 ARG A 7 7.354 -3.556 -16.413 1.00 0.00 N ATOM 0 H ARG A 7 7.031 -2.361 -10.484 1.00 0.00 H new ATOM 0 HA ARG A 7 5.243 -4.410 -9.752 1.00 0.00 H new ATOM 0 HB2 ARG A 7 7.087 -4.812 -12.072 1.00 0.00 H new ATOM 0 HB3 ARG A 7 5.348 -5.008 -11.979 1.00 0.00 H new ATOM 0 HG2 ARG A 7 5.550 -2.298 -11.562 1.00 0.00 H new ATOM 0 HG3 ARG A 7 6.952 -2.558 -12.580 1.00 0.00 H new ATOM 0 HD2 ARG A 7 4.560 -3.997 -13.562 1.00 0.00 H new ATOM 0 HD3 ARG A 7 4.311 -2.265 -13.472 1.00 0.00 H new ATOM 0 HE ARG A 7 5.836 -1.955 -15.234 1.00 0.00 H new ATOM 0 HH11 ARG A 7 6.221 -5.203 -13.858 1.00 0.00 H new ATOM 0 HH12 ARG A 7 7.344 -5.732 -15.115 1.00 0.00 H new ATOM 0 HH21 ARG A 7 7.287 -2.641 -16.859 1.00 0.00 H new ATOM 0 HH22 ARG A 7 7.949 -4.279 -16.818 1.00 0.00 H new ATOM 156 N ALA A 8 8.445 -5.059 -9.560 1.00 0.00 N ATOM 157 CA ALA A 8 9.432 -6.013 -9.082 1.00 0.00 C ATOM 158 C ALA A 8 9.233 -6.236 -7.582 1.00 0.00 C ATOM 159 O ALA A 8 9.139 -7.375 -7.127 1.00 0.00 O ATOM 160 CB ALA A 8 10.836 -5.505 -9.415 1.00 0.00 C ATOM 0 H ALA A 8 8.823 -4.148 -9.821 1.00 0.00 H new ATOM 0 HA ALA A 8 9.308 -6.976 -9.578 1.00 0.00 H new ATOM 0 HB1 ALA A 8 11.576 -6.220 -9.057 1.00 0.00 H new ATOM 0 HB2 ALA A 8 10.935 -5.390 -10.494 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.999 -4.542 -8.932 1.00 0.00 H new ATOM 166 N ARG A 9 9.176 -5.131 -6.854 1.00 0.00 N ATOM 167 CA ARG A 9 8.991 -5.192 -5.414 1.00 0.00 C ATOM 168 C ARG A 9 7.551 -5.587 -5.080 1.00 0.00 C ATOM 169 O ARG A 9 7.303 -6.255 -4.078 1.00 0.00 O ATOM 170 CB ARG A 9 9.308 -3.845 -4.760 1.00 0.00 C ATOM 171 CG ARG A 9 8.414 -2.738 -5.324 1.00 0.00 C ATOM 172 CD ARG A 9 7.125 -2.606 -4.510 1.00 0.00 C ATOM 173 NE ARG A 9 7.446 -2.272 -3.105 1.00 0.00 N ATOM 174 CZ ARG A 9 6.572 -1.736 -2.242 1.00 0.00 C ATOM 175 NH1 ARG A 9 5.319 -1.471 -2.635 1.00 0.00 N ATOM 176 NH2 ARG A 9 6.951 -1.466 -0.985 1.00 0.00 N ATOM 0 H ARG A 9 9.255 -4.188 -7.234 1.00 0.00 H new ATOM 0 HA ARG A 9 9.677 -5.943 -5.023 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.166 -3.918 -3.682 1.00 0.00 H new ATOM 0 HB3 ARG A 9 10.355 -3.593 -4.928 1.00 0.00 H new ATOM 0 HG2 ARG A 9 8.953 -1.791 -5.315 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.171 -2.956 -6.364 1.00 0.00 H new ATOM 0 HD2 ARG A 9 6.491 -1.831 -4.941 1.00 0.00 H new ATOM 0 HD3 ARG A 9 6.562 -3.538 -4.551 1.00 0.00 H new ATOM 0 HE ARG A 9 8.391 -2.461 -2.772 1.00 0.00 H new ATOM 0 HH11 ARG A 9 5.030 -1.677 -3.591 1.00 0.00 H new ATOM 0 HH12 ARG A 9 4.654 -1.063 -1.978 1.00 0.00 H new ATOM 0 HH21 ARG A 9 7.905 -1.668 -0.685 1.00 0.00 H new ATOM 0 HH22 ARG A 9 6.286 -1.058 -0.328 1.00 0.00 H new ATOM 190 N ARG A 10 6.639 -5.157 -5.939 1.00 0.00 N ATOM 191 CA ARG A 10 5.230 -5.457 -5.748 1.00 0.00 C ATOM 192 C ARG A 10 5.011 -6.971 -5.706 1.00 0.00 C ATOM 193 O ARG A 10 4.128 -7.454 -4.999 1.00 0.00 O ATOM 194 CB ARG A 10 4.382 -4.857 -6.872 1.00 0.00 C ATOM 195 CG ARG A 10 3.913 -3.446 -6.511 1.00 0.00 C ATOM 196 CD ARG A 10 3.097 -3.454 -5.217 1.00 0.00 C ATOM 197 NE ARG A 10 2.340 -2.189 -5.089 1.00 0.00 N ATOM 198 CZ ARG A 10 1.217 -2.055 -4.370 1.00 0.00 C ATOM 199 NH1 ARG A 10 0.714 -3.107 -3.710 1.00 0.00 N ATOM 200 NH2 ARG A 10 0.596 -0.869 -4.311 1.00 0.00 N ATOM 0 H ARG A 10 6.848 -4.603 -6.769 1.00 0.00 H new ATOM 0 HA ARG A 10 4.922 -5.015 -4.800 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.963 -4.826 -7.794 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.518 -5.494 -7.061 1.00 0.00 H new ATOM 0 HG2 ARG A 10 4.776 -2.790 -6.397 1.00 0.00 H new ATOM 0 HG3 ARG A 10 3.310 -3.040 -7.323 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.410 -4.300 -5.216 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.759 -3.580 -4.360 1.00 0.00 H new ATOM 0 HE ARG A 10 2.695 -1.368 -5.579 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.186 -4.010 -3.755 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -0.141 -3.005 -3.163 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.978 -0.068 -4.813 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.259 -0.768 -3.764 1.00 0.00 H new ATOM 214 N GLU A 11 5.830 -7.676 -6.472 1.00 0.00 N ATOM 215 CA GLU A 11 5.737 -9.125 -6.531 1.00 0.00 C ATOM 216 C GLU A 11 6.186 -9.740 -5.204 1.00 0.00 C ATOM 217 O GLU A 11 5.500 -10.599 -4.650 1.00 0.00 O ATOM 218 CB GLU A 11 6.557 -9.680 -7.698 1.00 0.00 C ATOM 219 CG GLU A 11 5.647 -10.132 -8.841 1.00 0.00 C ATOM 220 CD GLU A 11 6.451 -10.829 -9.940 1.00 0.00 C ATOM 221 OE1 GLU A 11 7.604 -10.398 -10.160 1.00 0.00 O ATOM 222 OE2 GLU A 11 5.896 -11.778 -10.535 1.00 0.00 O ATOM 0 H GLU A 11 6.561 -7.271 -7.057 1.00 0.00 H new ATOM 0 HA GLU A 11 4.695 -9.396 -6.701 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.247 -8.917 -8.058 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.161 -10.520 -7.356 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.885 -10.810 -8.457 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.126 -9.270 -9.258 1.00 0.00 H new ATOM 229 N ALA A 12 7.334 -9.278 -4.732 1.00 0.00 N ATOM 230 CA ALA A 12 7.883 -9.772 -3.481 1.00 0.00 C ATOM 231 C ALA A 12 7.080 -9.194 -2.314 1.00 0.00 C ATOM 232 O ALA A 12 6.876 -9.864 -1.303 1.00 0.00 O ATOM 233 CB ALA A 12 9.369 -9.417 -3.399 1.00 0.00 C ATOM 0 H ALA A 12 7.900 -8.566 -5.194 1.00 0.00 H new ATOM 0 HA ALA A 12 7.805 -10.858 -3.430 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.780 -9.788 -2.460 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.899 -9.875 -4.234 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.488 -8.334 -3.445 1.00 0.00 H new ATOM 239 N VAL A 13 6.645 -7.955 -2.492 1.00 0.00 N ATOM 240 CA VAL A 13 5.869 -7.279 -1.467 1.00 0.00 C ATOM 241 C VAL A 13 4.505 -7.959 -1.335 1.00 0.00 C ATOM 242 O VAL A 13 3.962 -8.062 -0.235 1.00 0.00 O ATOM 243 CB VAL A 13 5.765 -5.787 -1.788 1.00 0.00 C ATOM 244 CG1 VAL A 13 4.601 -5.143 -1.031 1.00 0.00 C ATOM 245 CG2 VAL A 13 7.081 -5.067 -1.485 1.00 0.00 C ATOM 0 H VAL A 13 6.816 -7.402 -3.332 1.00 0.00 H new ATOM 0 HA VAL A 13 6.365 -7.355 -0.500 1.00 0.00 H new ATOM 0 HB VAL A 13 5.567 -5.687 -2.855 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.549 -4.082 -1.277 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.668 -5.628 -1.318 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.756 -5.260 0.042 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.979 -4.008 -1.722 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.323 -5.181 -0.428 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.879 -5.499 -2.088 1.00 0.00 H new ATOM 255 N LEU A 14 3.989 -8.405 -2.471 1.00 0.00 N ATOM 256 CA LEU A 14 2.698 -9.072 -2.496 1.00 0.00 C ATOM 257 C LEU A 14 2.752 -10.310 -1.599 1.00 0.00 C ATOM 258 O LEU A 14 1.834 -10.555 -0.818 1.00 0.00 O ATOM 259 CB LEU A 14 2.279 -9.373 -3.936 1.00 0.00 C ATOM 260 CG LEU A 14 1.460 -8.288 -4.637 1.00 0.00 C ATOM 261 CD1 LEU A 14 -0.028 -8.644 -4.645 1.00 0.00 C ATOM 262 CD2 LEU A 14 1.718 -6.916 -4.012 1.00 0.00 C ATOM 0 H LEU A 14 4.442 -8.318 -3.381 1.00 0.00 H new ATOM 0 HA LEU A 14 1.923 -8.420 -2.093 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.178 -9.558 -4.524 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.700 -10.296 -3.939 1.00 0.00 H new ATOM 0 HG LEU A 14 1.784 -8.234 -5.676 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.588 -7.856 -5.149 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.174 -9.587 -5.172 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.384 -8.743 -3.620 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.123 -6.163 -4.529 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.439 -6.938 -2.958 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.776 -6.668 -4.102 1.00 0.00 H new ATOM 274 N SER A 15 3.836 -11.058 -1.741 1.00 0.00 N ATOM 275 CA SER A 15 4.021 -12.265 -0.953 1.00 0.00 C ATOM 276 C SER A 15 4.303 -11.900 0.505 1.00 0.00 C ATOM 277 O SER A 15 3.901 -12.619 1.418 1.00 0.00 O ATOM 278 CB SER A 15 5.157 -13.121 -1.516 1.00 0.00 C ATOM 279 OG SER A 15 4.763 -14.479 -1.697 1.00 0.00 O ATOM 0 H SER A 15 4.595 -10.852 -2.390 1.00 0.00 H new ATOM 0 HA SER A 15 3.103 -12.850 -1.003 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.483 -12.708 -2.470 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.012 -13.078 -0.841 1.00 0.00 H new ATOM 0 HG SER A 15 5.515 -14.992 -2.059 1.00 0.00 H new ATOM 285 N LEU A 16 4.993 -10.782 0.679 1.00 0.00 N ATOM 286 CA LEU A 16 5.334 -10.312 2.011 1.00 0.00 C ATOM 287 C LEU A 16 4.094 -9.699 2.664 1.00 0.00 C ATOM 288 O LEU A 16 3.864 -9.879 3.859 1.00 0.00 O ATOM 289 CB LEU A 16 6.532 -9.363 1.954 1.00 0.00 C ATOM 290 CG LEU A 16 6.474 -8.152 2.887 1.00 0.00 C ATOM 291 CD1 LEU A 16 7.837 -7.465 2.981 1.00 0.00 C ATOM 292 CD2 LEU A 16 5.372 -7.181 2.456 1.00 0.00 C ATOM 0 H LEU A 16 5.325 -10.188 -0.081 1.00 0.00 H new ATOM 0 HA LEU A 16 5.647 -11.145 2.640 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.432 -9.932 2.186 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.637 -9.003 0.930 1.00 0.00 H new ATOM 0 HG LEU A 16 6.222 -8.504 3.887 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.767 -6.608 3.651 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.573 -8.169 3.369 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.144 -7.128 1.991 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.352 -6.329 3.135 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.570 -6.832 1.442 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.408 -7.689 2.483 1.00 0.00 H new ATOM 304 N CYS A 17 3.327 -8.988 1.851 1.00 0.00 N ATOM 305 CA CYS A 17 2.116 -8.347 2.335 1.00 0.00 C ATOM 306 C CYS A 17 1.230 -9.416 2.977 1.00 0.00 C ATOM 307 O CYS A 17 0.668 -9.199 4.049 1.00 0.00 O ATOM 308 CB CYS A 17 1.388 -7.597 1.217 1.00 0.00 C ATOM 309 SG CYS A 17 1.486 -5.793 1.506 1.00 0.00 S ATOM 0 H CYS A 17 3.520 -8.842 0.860 1.00 0.00 H new ATOM 0 HA CYS A 17 2.373 -7.594 3.081 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.833 -7.844 0.253 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.345 -7.911 1.177 1.00 0.00 H new ATOM 0 HG CYS A 17 0.867 -5.166 0.550 1.00 0.00 H new ATOM 315 N ALA A 18 1.134 -10.547 2.294 1.00 0.00 N ATOM 316 CA ALA A 18 0.325 -11.651 2.784 1.00 0.00 C ATOM 317 C ALA A 18 0.871 -12.116 4.135 1.00 0.00 C ATOM 318 O ALA A 18 0.112 -12.554 4.998 1.00 0.00 O ATOM 319 CB ALA A 18 0.309 -12.773 1.744 1.00 0.00 C ATOM 0 H ALA A 18 1.603 -10.723 1.405 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.707 -11.333 2.937 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.298 -13.601 2.111 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.114 -12.399 0.812 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.327 -13.120 1.567 1.00 0.00 H new ATOM 325 N ARG A 19 2.184 -12.005 4.277 1.00 0.00 N ATOM 326 CA ARG A 19 2.840 -12.409 5.509 1.00 0.00 C ATOM 327 C ARG A 19 2.475 -11.450 6.644 1.00 0.00 C ATOM 328 O ARG A 19 2.610 -11.792 7.818 1.00 0.00 O ATOM 329 CB ARG A 19 4.361 -12.433 5.341 1.00 0.00 C ATOM 330 CG ARG A 19 4.901 -13.861 5.436 1.00 0.00 C ATOM 331 CD ARG A 19 5.252 -14.408 4.051 1.00 0.00 C ATOM 332 NE ARG A 19 6.409 -15.325 4.147 1.00 0.00 N ATOM 333 CZ ARG A 19 7.183 -15.670 3.109 1.00 0.00 C ATOM 334 NH1 ARG A 19 6.927 -15.177 1.890 1.00 0.00 N ATOM 335 NH2 ARG A 19 8.212 -16.509 3.290 1.00 0.00 N ATOM 0 H ARG A 19 2.811 -11.641 3.559 1.00 0.00 H new ATOM 0 HA ARG A 19 2.496 -13.414 5.753 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.631 -12.002 4.377 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.825 -11.813 6.108 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.786 -13.877 6.072 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.158 -14.504 5.907 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.395 -14.934 3.631 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.485 -13.586 3.374 1.00 0.00 H new ATOM 0 HE ARG A 19 6.632 -15.719 5.061 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.143 -14.539 1.752 1.00 0.00 H new ATOM 0 HH12 ARG A 19 7.516 -15.439 1.100 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.406 -16.885 4.218 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.801 -16.772 2.500 1.00 0.00 H new ATOM 349 N HIS A 20 2.019 -10.268 6.254 1.00 0.00 N ATOM 350 CA HIS A 20 1.633 -9.258 7.225 1.00 0.00 C ATOM 351 C HIS A 20 0.108 -9.207 7.333 1.00 0.00 C ATOM 352 O HIS A 20 -0.438 -8.402 8.086 1.00 0.00 O ATOM 353 CB HIS A 20 2.248 -7.902 6.871 1.00 0.00 C ATOM 354 CG HIS A 20 3.757 -7.876 6.940 1.00 0.00 C ATOM 355 ND1 HIS A 20 4.695 -7.963 5.954 1.00 0.00 N flip ATOM 356 CD2 HIS A 20 4.451 -7.748 8.130 1.00 0.00 C flip ATOM 357 CE1 HIS A 20 5.897 -7.891 6.511 1.00 0.00 C flip ATOM 358 NE2 HIS A 20 5.748 -7.758 7.861 1.00 0.00 N flip ATOM 0 H HIS A 20 1.908 -9.988 5.280 1.00 0.00 H new ATOM 0 HA HIS A 20 2.023 -9.524 8.207 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.936 -7.624 5.864 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.850 -7.146 7.548 1.00 0.00 H new ATOM 0 HD1 HIS A 20 4.505 -8.066 4.957 1.00 0.00 H new ATOM 0 HD2 HIS A 20 4.010 -7.656 9.112 1.00 0.00 H new ATOM 0 HE1 HIS A 20 6.838 -7.931 5.983 1.00 0.00 H new ATOM 366 N GLY A 21 -0.537 -10.076 6.569 1.00 0.00 N ATOM 367 CA GLY A 21 -1.989 -10.140 6.570 1.00 0.00 C ATOM 368 C GLY A 21 -2.569 -9.435 5.342 1.00 0.00 C ATOM 369 O GLY A 21 -3.680 -9.743 4.912 1.00 0.00 O ATOM 0 H GLY A 21 -0.081 -10.742 5.945 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.311 -11.181 6.582 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.377 -9.676 7.477 1.00 0.00 H new ATOM 373 N ALA A 22 -1.791 -8.503 4.811 1.00 0.00 N ATOM 374 CA ALA A 22 -2.214 -7.752 3.641 1.00 0.00 C ATOM 375 C ALA A 22 -2.694 -8.725 2.563 1.00 0.00 C ATOM 376 O ALA A 22 -2.001 -9.687 2.236 1.00 0.00 O ATOM 377 CB ALA A 22 -1.063 -6.868 3.158 1.00 0.00 C ATOM 0 H ALA A 22 -0.870 -8.251 5.170 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.048 -7.095 3.887 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.380 -6.305 2.280 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.779 -6.176 3.950 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.208 -7.493 2.899 1.00 0.00 H new ATOM 383 N VAL A 23 -3.878 -8.441 2.039 1.00 0.00 N ATOM 384 CA VAL A 23 -4.458 -9.279 1.003 1.00 0.00 C ATOM 385 C VAL A 23 -4.989 -8.393 -0.126 1.00 0.00 C ATOM 386 O VAL A 23 -4.686 -8.625 -1.295 1.00 0.00 O ATOM 387 CB VAL A 23 -5.533 -10.186 1.606 1.00 0.00 C ATOM 388 CG1 VAL A 23 -4.941 -11.533 2.026 1.00 0.00 C ATOM 389 CG2 VAL A 23 -6.231 -9.502 2.784 1.00 0.00 C ATOM 0 H VAL A 23 -4.451 -7.643 2.313 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.701 -9.935 0.573 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.282 -10.374 0.837 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.726 -12.159 2.451 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.513 -12.030 1.155 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.162 -11.372 2.771 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.990 -10.168 3.194 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.498 -9.269 3.556 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.703 -8.581 2.442 1.00 0.00 H new ATOM 399 N ARG A 24 -5.770 -7.396 0.264 1.00 0.00 N ATOM 400 CA ARG A 24 -6.345 -6.475 -0.701 1.00 0.00 C ATOM 401 C ARG A 24 -5.292 -5.467 -1.165 1.00 0.00 C ATOM 402 O ARG A 24 -5.430 -4.267 -0.931 1.00 0.00 O ATOM 403 CB ARG A 24 -7.534 -5.720 -0.101 1.00 0.00 C ATOM 404 CG ARG A 24 -8.770 -6.618 -0.023 1.00 0.00 C ATOM 405 CD ARG A 24 -9.315 -6.924 -1.420 1.00 0.00 C ATOM 406 NE ARG A 24 -10.752 -7.268 -1.338 1.00 0.00 N ATOM 407 CZ ARG A 24 -11.557 -7.391 -2.403 1.00 0.00 C ATOM 408 NH1 ARG A 24 -11.069 -7.201 -3.636 1.00 0.00 N ATOM 409 NH2 ARG A 24 -12.848 -7.705 -2.233 1.00 0.00 N ATOM 0 H ARG A 24 -6.018 -7.206 1.235 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.693 -7.061 -1.552 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.277 -5.362 0.896 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.756 -4.842 -0.708 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.516 -7.549 0.484 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.541 -6.130 0.573 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.176 -6.061 -2.071 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.759 -7.750 -1.863 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.155 -7.421 -0.414 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.085 -6.963 -3.764 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.681 -7.294 -4.447 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.218 -7.850 -1.294 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.461 -7.799 -3.043 1.00 0.00 H new ATOM 423 N VAL A 25 -4.263 -5.991 -1.815 1.00 0.00 N ATOM 424 CA VAL A 25 -3.187 -5.152 -2.314 1.00 0.00 C ATOM 425 C VAL A 25 -3.718 -4.267 -3.444 1.00 0.00 C ATOM 426 O VAL A 25 -4.063 -4.763 -4.515 1.00 0.00 O ATOM 427 CB VAL A 25 -2.002 -6.020 -2.741 1.00 0.00 C ATOM 428 CG1 VAL A 25 -1.736 -5.886 -4.242 1.00 0.00 C ATOM 429 CG2 VAL A 25 -0.750 -5.678 -1.930 1.00 0.00 C ATOM 0 H VAL A 25 -4.152 -6.986 -2.008 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.822 -4.491 -1.528 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.259 -7.060 -2.538 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.889 -6.513 -4.519 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.619 -6.203 -4.798 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.511 -4.846 -4.480 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.077 -6.310 -2.254 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.490 -4.631 -2.086 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.944 -5.849 -0.871 1.00 0.00 H new ATOM 439 N ARG A 26 -3.767 -2.973 -3.165 1.00 0.00 N ATOM 440 CA ARG A 26 -4.250 -2.015 -4.145 1.00 0.00 C ATOM 441 C ARG A 26 -3.595 -0.650 -3.920 1.00 0.00 C ATOM 442 O ARG A 26 -3.197 -0.325 -2.802 1.00 0.00 O ATOM 443 CB ARG A 26 -5.770 -1.863 -4.063 1.00 0.00 C ATOM 444 CG ARG A 26 -6.466 -2.750 -5.098 1.00 0.00 C ATOM 445 CD ARG A 26 -7.370 -3.780 -4.418 1.00 0.00 C ATOM 446 NE ARG A 26 -8.511 -4.113 -5.300 1.00 0.00 N ATOM 447 CZ ARG A 26 -9.639 -3.393 -5.372 1.00 0.00 C ATOM 448 NH1 ARG A 26 -9.784 -2.296 -4.616 1.00 0.00 N ATOM 449 NH2 ARG A 26 -10.622 -3.770 -6.201 1.00 0.00 N ATOM 0 H ARG A 26 -3.480 -2.566 -2.275 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.986 -2.390 -5.134 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.112 -2.128 -3.063 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.044 -0.821 -4.228 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -7.057 -2.132 -5.773 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -5.719 -3.261 -5.705 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -6.801 -4.681 -4.190 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -7.736 -3.386 -3.470 1.00 0.00 H new ATOM 0 HE ARG A 26 -8.434 -4.942 -5.890 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -9.036 -2.009 -3.985 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -10.643 -1.748 -4.671 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -10.512 -4.605 -6.777 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -11.481 -3.222 -6.256 1.00 0.00 H new ATOM 463 N VAL A 27 -3.504 0.112 -5.000 1.00 0.00 N ATOM 464 CA VAL A 27 -2.904 1.434 -4.935 1.00 0.00 C ATOM 465 C VAL A 27 -4.001 2.493 -5.065 1.00 0.00 C ATOM 466 O VAL A 27 -4.734 2.514 -6.052 1.00 0.00 O ATOM 467 CB VAL A 27 -1.814 1.567 -6.000 1.00 0.00 C ATOM 468 CG1 VAL A 27 -0.749 2.578 -5.570 1.00 0.00 C ATOM 469 CG2 VAL A 27 -1.186 0.208 -6.314 1.00 0.00 C ATOM 0 H VAL A 27 -3.836 -0.161 -5.925 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.417 1.586 -3.972 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.280 1.939 -6.913 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.014 2.654 -6.344 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.212 3.553 -5.420 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.289 2.248 -4.638 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.414 0.331 -7.074 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.741 -0.205 -5.409 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.954 -0.471 -6.683 1.00 0.00 H new ATOM 479 N PHE A 28 -4.077 3.347 -4.055 1.00 0.00 N ATOM 480 CA PHE A 28 -5.072 4.406 -4.044 1.00 0.00 C ATOM 481 C PHE A 28 -4.409 5.779 -3.907 1.00 0.00 C ATOM 482 O PHE A 28 -3.507 5.957 -3.091 1.00 0.00 O ATOM 483 CB PHE A 28 -5.971 4.164 -2.830 1.00 0.00 C ATOM 484 CG PHE A 28 -5.506 4.876 -1.559 1.00 0.00 C ATOM 485 CD1 PHE A 28 -4.627 4.264 -0.720 1.00 0.00 C ATOM 486 CD2 PHE A 28 -5.970 6.120 -1.267 1.00 0.00 C ATOM 487 CE1 PHE A 28 -4.195 4.925 0.460 1.00 0.00 C ATOM 488 CE2 PHE A 28 -5.538 6.781 -0.087 1.00 0.00 C ATOM 489 CZ PHE A 28 -4.660 6.169 0.752 1.00 0.00 C ATOM 0 H PHE A 28 -3.466 3.327 -3.239 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.637 4.395 -4.976 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.982 4.493 -3.069 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -6.021 3.093 -2.636 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.258 3.276 -0.951 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.668 6.606 -1.933 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -3.497 4.440 1.126 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -5.907 7.769 0.144 1.00 0.00 H new ATOM 0 HZ PHE A 28 -4.332 6.671 1.650 1.00 0.00 H new ATOM 499 N GLY A 29 -4.883 6.713 -4.718 1.00 0.00 N ATOM 500 CA GLY A 29 -4.348 8.064 -4.697 1.00 0.00 C ATOM 501 C GLY A 29 -3.747 8.436 -6.054 1.00 0.00 C ATOM 502 O GLY A 29 -4.068 7.820 -7.069 1.00 0.00 O ATOM 0 H GLY A 29 -5.632 6.561 -5.394 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.139 8.768 -4.440 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.585 8.145 -3.923 1.00 0.00 H new ATOM 506 N SER A 30 -2.885 9.442 -6.027 1.00 0.00 N ATOM 507 CA SER A 30 -2.236 9.904 -7.242 1.00 0.00 C ATOM 508 C SER A 30 -1.182 8.889 -7.690 1.00 0.00 C ATOM 509 O SER A 30 -0.917 8.750 -8.883 1.00 0.00 O ATOM 510 CB SER A 30 -1.596 11.278 -7.037 1.00 0.00 C ATOM 511 OG SER A 30 -2.303 12.305 -7.728 1.00 0.00 O ATOM 0 H SER A 30 -2.621 9.950 -5.183 1.00 0.00 H new ATOM 0 HA SER A 30 -2.994 9.999 -8.020 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.569 11.510 -5.972 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.563 11.252 -7.384 1.00 0.00 H new ATOM 0 HG SER A 30 -1.864 13.167 -7.571 1.00 0.00 H new ATOM 517 N VAL A 31 -0.609 8.207 -6.709 1.00 0.00 N ATOM 518 CA VAL A 31 0.411 7.210 -6.988 1.00 0.00 C ATOM 519 C VAL A 31 -0.163 6.149 -7.930 1.00 0.00 C ATOM 520 O VAL A 31 0.457 5.807 -8.935 1.00 0.00 O ATOM 521 CB VAL A 31 0.940 6.622 -5.678 1.00 0.00 C ATOM 522 CG1 VAL A 31 1.625 7.698 -4.832 1.00 0.00 C ATOM 523 CG2 VAL A 31 -0.181 5.938 -4.892 1.00 0.00 C ATOM 0 H VAL A 31 -0.831 8.325 -5.721 1.00 0.00 H new ATOM 0 HA VAL A 31 1.263 7.666 -7.492 1.00 0.00 H new ATOM 0 HB VAL A 31 1.685 5.866 -5.926 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.992 7.254 -3.907 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.462 8.121 -5.389 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.910 8.487 -4.598 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.222 5.529 -3.965 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.959 6.666 -4.660 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.606 5.132 -5.490 1.00 0.00 H new ATOM 533 N ALA A 32 -1.341 5.659 -7.571 1.00 0.00 N ATOM 534 CA ALA A 32 -2.005 4.645 -8.371 1.00 0.00 C ATOM 535 C ALA A 32 -2.107 5.130 -9.819 1.00 0.00 C ATOM 536 O ALA A 32 -1.999 4.337 -10.752 1.00 0.00 O ATOM 537 CB ALA A 32 -3.373 4.330 -7.764 1.00 0.00 C ATOM 0 H ALA A 32 -1.852 5.946 -6.736 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.429 3.720 -8.373 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.871 3.569 -8.365 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.243 3.962 -6.746 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.981 5.235 -7.748 1.00 0.00 H new ATOM 543 N ARG A 33 -2.315 6.431 -9.960 1.00 0.00 N ATOM 544 CA ARG A 33 -2.433 7.032 -11.278 1.00 0.00 C ATOM 545 C ARG A 33 -1.051 7.414 -11.813 1.00 0.00 C ATOM 546 O ARG A 33 -0.943 8.093 -12.832 1.00 0.00 O ATOM 547 CB ARG A 33 -3.320 8.278 -11.238 1.00 0.00 C ATOM 548 CG ARG A 33 -4.678 8.005 -11.886 1.00 0.00 C ATOM 549 CD ARG A 33 -4.584 8.080 -13.411 1.00 0.00 C ATOM 550 NE ARG A 33 -5.366 9.233 -13.910 1.00 0.00 N ATOM 551 CZ ARG A 33 -5.442 9.588 -15.200 1.00 0.00 C ATOM 552 NH1 ARG A 33 -4.783 8.882 -16.129 1.00 0.00 N ATOM 553 NH2 ARG A 33 -6.176 10.649 -15.561 1.00 0.00 N ATOM 0 H ARG A 33 -2.405 7.086 -9.183 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.891 6.296 -11.938 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -3.463 8.594 -10.205 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -2.824 9.099 -11.756 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.035 7.019 -11.588 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.408 8.730 -11.527 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -3.542 8.178 -13.715 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -4.959 7.157 -13.853 1.00 0.00 H new ATOM 0 HE ARG A 33 -5.879 9.793 -13.229 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -4.224 8.075 -15.854 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -4.841 9.152 -17.111 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -6.677 11.187 -14.854 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -6.234 10.919 -16.543 1.00 0.00 H new ATOM 567 N GLY A 34 -0.030 6.962 -11.100 1.00 0.00 N ATOM 568 CA GLY A 34 1.340 7.248 -11.490 1.00 0.00 C ATOM 569 C GLY A 34 1.685 8.718 -11.241 1.00 0.00 C ATOM 570 O GLY A 34 2.308 9.364 -12.083 1.00 0.00 O ATOM 0 H GLY A 34 -0.124 6.400 -10.254 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.023 6.610 -10.928 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.479 7.012 -12.545 1.00 0.00 H new ATOM 574 N GLU A 35 1.266 9.203 -10.082 1.00 0.00 N ATOM 575 CA GLU A 35 1.523 10.584 -9.712 1.00 0.00 C ATOM 576 C GLU A 35 2.116 10.655 -8.303 1.00 0.00 C ATOM 577 O GLU A 35 1.545 10.113 -7.358 1.00 0.00 O ATOM 578 CB GLU A 35 0.248 11.425 -9.813 1.00 0.00 C ATOM 579 CG GLU A 35 0.052 11.955 -11.235 1.00 0.00 C ATOM 580 CD GLU A 35 -1.402 12.369 -11.470 1.00 0.00 C ATOM 581 OE1 GLU A 35 -2.189 11.479 -11.858 1.00 0.00 O ATOM 582 OE2 GLU A 35 -1.693 13.565 -11.256 1.00 0.00 O ATOM 0 H GLU A 35 0.750 8.664 -9.386 1.00 0.00 H new ATOM 0 HA GLU A 35 2.249 10.998 -10.412 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.613 10.823 -9.524 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.302 12.260 -9.114 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.709 12.809 -11.402 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.336 11.188 -11.955 1.00 0.00 H new ATOM 589 N ALA A 36 3.254 11.327 -8.208 1.00 0.00 N ATOM 590 CA ALA A 36 3.930 11.475 -6.930 1.00 0.00 C ATOM 591 C ALA A 36 5.307 12.102 -7.157 1.00 0.00 C ATOM 592 O ALA A 36 6.253 11.412 -7.536 1.00 0.00 O ATOM 593 CB ALA A 36 4.017 10.114 -6.237 1.00 0.00 C ATOM 0 H ALA A 36 3.725 11.775 -8.994 1.00 0.00 H new ATOM 0 HA ALA A 36 3.368 12.139 -6.273 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.524 10.225 -5.279 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.012 9.724 -6.073 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.577 9.421 -6.865 1.00 0.00 H new ATOM 599 N ARG A 37 5.377 13.403 -6.917 1.00 0.00 N ATOM 600 CA ARG A 37 6.623 14.131 -7.090 1.00 0.00 C ATOM 601 C ARG A 37 7.710 13.544 -6.189 1.00 0.00 C ATOM 602 O ARG A 37 7.500 12.518 -5.543 1.00 0.00 O ATOM 603 CB ARG A 37 6.444 15.615 -6.762 1.00 0.00 C ATOM 604 CG ARG A 37 5.773 15.798 -5.400 1.00 0.00 C ATOM 605 CD ARG A 37 4.374 16.400 -5.555 1.00 0.00 C ATOM 606 NE ARG A 37 4.250 17.613 -4.716 1.00 0.00 N ATOM 607 CZ ARG A 37 4.749 18.811 -5.049 1.00 0.00 C ATOM 608 NH1 ARG A 37 5.409 18.964 -6.205 1.00 0.00 N ATOM 609 NH2 ARG A 37 4.588 19.856 -4.225 1.00 0.00 N ATOM 0 H ARG A 37 4.591 13.972 -6.604 1.00 0.00 H new ATOM 0 HA ARG A 37 6.921 14.035 -8.134 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.415 16.111 -6.763 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.842 16.092 -7.535 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.705 14.836 -4.892 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.385 16.447 -4.773 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.190 16.650 -6.600 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.620 15.668 -5.265 1.00 0.00 H new ATOM 0 HE ARG A 37 3.754 17.532 -3.829 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.532 18.168 -6.831 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.789 19.876 -6.459 1.00 0.00 H new ATOM 0 HH21 ARG A 37 4.086 19.739 -3.345 1.00 0.00 H new ATOM 0 HH22 ARG A 37 4.968 20.768 -4.478 1.00 0.00 H new ATOM 623 N GLU A 38 8.850 14.219 -6.174 1.00 0.00 N ATOM 624 CA GLU A 38 9.972 13.777 -5.363 1.00 0.00 C ATOM 625 C GLU A 38 9.789 14.230 -3.913 1.00 0.00 C ATOM 626 O GLU A 38 10.610 13.917 -3.052 1.00 0.00 O ATOM 627 CB GLU A 38 11.296 14.286 -5.934 1.00 0.00 C ATOM 628 CG GLU A 38 11.396 13.994 -7.432 1.00 0.00 C ATOM 629 CD GLU A 38 12.179 12.704 -7.689 1.00 0.00 C ATOM 630 OE1 GLU A 38 13.306 12.610 -7.157 1.00 0.00 O ATOM 631 OE2 GLU A 38 11.632 11.842 -8.410 1.00 0.00 O ATOM 0 H GLU A 38 9.021 15.069 -6.711 1.00 0.00 H new ATOM 0 HA GLU A 38 10.002 12.688 -5.382 1.00 0.00 H new ATOM 0 HB2 GLU A 38 11.381 15.359 -5.763 1.00 0.00 H new ATOM 0 HB3 GLU A 38 12.127 13.813 -5.411 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.396 13.907 -7.857 1.00 0.00 H new ATOM 0 HG3 GLU A 38 11.885 14.827 -7.937 1.00 0.00 H new ATOM 638 N ASP A 39 8.707 14.962 -3.687 1.00 0.00 N ATOM 639 CA ASP A 39 8.407 15.462 -2.356 1.00 0.00 C ATOM 640 C ASP A 39 7.025 14.962 -1.929 1.00 0.00 C ATOM 641 O ASP A 39 6.347 15.608 -1.131 1.00 0.00 O ATOM 642 CB ASP A 39 8.384 16.991 -2.335 1.00 0.00 C ATOM 643 CG ASP A 39 8.875 17.627 -1.033 1.00 0.00 C ATOM 644 OD1 ASP A 39 8.223 17.374 0.003 1.00 0.00 O ATOM 645 OD2 ASP A 39 9.891 18.352 -1.103 1.00 0.00 O ATOM 0 H ASP A 39 8.028 15.220 -4.403 1.00 0.00 H new ATOM 0 HA ASP A 39 9.181 15.104 -1.678 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.998 17.360 -3.156 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.364 17.327 -2.524 1.00 0.00 H new ATOM 650 N SER A 40 6.649 13.817 -2.479 1.00 0.00 N ATOM 651 CA SER A 40 5.360 13.223 -2.164 1.00 0.00 C ATOM 652 C SER A 40 5.558 11.829 -1.567 1.00 0.00 C ATOM 653 O SER A 40 6.650 11.267 -1.643 1.00 0.00 O ATOM 654 CB SER A 40 4.471 13.148 -3.407 1.00 0.00 C ATOM 655 OG SER A 40 3.637 14.296 -3.538 1.00 0.00 O ATOM 0 H SER A 40 7.214 13.285 -3.141 1.00 0.00 H new ATOM 0 HA SER A 40 4.861 13.857 -1.431 1.00 0.00 H new ATOM 0 HB2 SER A 40 5.096 13.051 -4.294 1.00 0.00 H new ATOM 0 HB3 SER A 40 3.851 12.253 -3.355 1.00 0.00 H new ATOM 0 HG SER A 40 2.858 14.073 -4.090 1.00 0.00 H new ATOM 661 N ASP A 41 4.486 11.310 -0.988 1.00 0.00 N ATOM 662 CA ASP A 41 4.528 9.992 -0.378 1.00 0.00 C ATOM 663 C ASP A 41 3.837 8.986 -1.301 1.00 0.00 C ATOM 664 O ASP A 41 3.352 9.351 -2.371 1.00 0.00 O ATOM 665 CB ASP A 41 3.795 9.982 0.965 1.00 0.00 C ATOM 666 CG ASP A 41 2.772 11.103 1.151 1.00 0.00 C ATOM 667 OD1 ASP A 41 1.666 10.962 0.585 1.00 0.00 O ATOM 668 OD2 ASP A 41 3.117 12.077 1.855 1.00 0.00 O ATOM 0 H ASP A 41 3.582 11.779 -0.928 1.00 0.00 H new ATOM 0 HA ASP A 41 5.573 9.727 -0.220 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.287 9.024 1.077 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.533 10.047 1.765 1.00 0.00 H new ATOM 673 N LEU A 42 3.814 7.739 -0.853 1.00 0.00 N ATOM 674 CA LEU A 42 3.190 6.678 -1.625 1.00 0.00 C ATOM 675 C LEU A 42 1.989 6.130 -0.853 1.00 0.00 C ATOM 676 O LEU A 42 2.154 5.471 0.173 1.00 0.00 O ATOM 677 CB LEU A 42 4.220 5.610 -1.999 1.00 0.00 C ATOM 678 CG LEU A 42 3.683 4.396 -2.760 1.00 0.00 C ATOM 679 CD1 LEU A 42 3.091 4.812 -4.108 1.00 0.00 C ATOM 680 CD2 LEU A 42 4.763 3.324 -2.914 1.00 0.00 C ATOM 0 H LEU A 42 4.217 7.440 0.035 1.00 0.00 H new ATOM 0 HA LEU A 42 2.811 7.067 -2.570 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.996 6.079 -2.604 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.697 5.258 -1.084 1.00 0.00 H new ATOM 0 HG LEU A 42 2.875 3.956 -2.176 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.717 3.931 -4.629 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.272 5.512 -3.945 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.862 5.290 -4.712 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.355 2.472 -3.458 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.608 3.736 -3.465 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.096 2.999 -1.928 1.00 0.00 H new ATOM 692 N ASP A 43 0.806 6.421 -1.376 1.00 0.00 N ATOM 693 CA ASP A 43 -0.422 5.966 -0.748 1.00 0.00 C ATOM 694 C ASP A 43 -0.773 4.572 -1.274 1.00 0.00 C ATOM 695 O ASP A 43 -0.988 4.393 -2.472 1.00 0.00 O ATOM 696 CB ASP A 43 -1.588 6.901 -1.075 1.00 0.00 C ATOM 697 CG ASP A 43 -1.440 8.328 -0.543 1.00 0.00 C ATOM 698 OD1 ASP A 43 -0.704 9.103 -1.191 1.00 0.00 O ATOM 699 OD2 ASP A 43 -2.068 8.612 0.500 1.00 0.00 O ATOM 0 H ASP A 43 0.673 6.966 -2.228 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.263 5.951 0.330 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.708 6.943 -2.158 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.504 6.471 -0.669 1.00 0.00 H new ATOM 704 N LEU A 44 -0.819 3.621 -0.353 1.00 0.00 N ATOM 705 CA LEU A 44 -1.139 2.250 -0.709 1.00 0.00 C ATOM 706 C LEU A 44 -2.312 1.766 0.146 1.00 0.00 C ATOM 707 O LEU A 44 -2.290 1.898 1.368 1.00 0.00 O ATOM 708 CB LEU A 44 0.104 1.364 -0.604 1.00 0.00 C ATOM 709 CG LEU A 44 1.284 1.756 -1.496 1.00 0.00 C ATOM 710 CD1 LEU A 44 2.480 0.832 -1.260 1.00 0.00 C ATOM 711 CD2 LEU A 44 0.869 1.792 -2.969 1.00 0.00 C ATOM 0 H LEU A 44 -0.640 3.773 0.640 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.457 2.192 -1.750 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.441 1.366 0.433 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.183 0.340 -0.844 1.00 0.00 H new ATOM 0 HG LEU A 44 1.598 2.764 -1.225 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.305 1.132 -1.906 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.792 0.900 -0.218 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.196 -0.196 -1.488 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.726 2.073 -3.582 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.515 0.807 -3.271 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.071 2.522 -3.104 1.00 0.00 H new ATOM 723 N LEU A 45 -3.309 1.216 -0.532 1.00 0.00 N ATOM 724 CA LEU A 45 -4.489 0.712 0.151 1.00 0.00 C ATOM 725 C LEU A 45 -4.403 -0.812 0.250 1.00 0.00 C ATOM 726 O LEU A 45 -4.454 -1.508 -0.763 1.00 0.00 O ATOM 727 CB LEU A 45 -5.761 1.213 -0.537 1.00 0.00 C ATOM 728 CG LEU A 45 -7.065 0.534 -0.113 1.00 0.00 C ATOM 729 CD1 LEU A 45 -7.249 0.600 1.404 1.00 0.00 C ATOM 730 CD2 LEU A 45 -8.260 1.126 -0.863 1.00 0.00 C ATOM 0 H LEU A 45 -3.324 1.108 -1.546 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.533 1.096 1.170 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.854 2.283 -0.350 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.642 1.087 -1.613 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.006 -0.520 -0.384 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.183 0.110 1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.417 0.095 1.894 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.278 1.642 1.722 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -9.174 0.626 -0.543 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -8.334 2.192 -0.646 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.124 0.983 -1.935 1.00 0.00 H new ATOM 742 N VAL A 46 -4.275 -1.287 1.481 1.00 0.00 N ATOM 743 CA VAL A 46 -4.182 -2.716 1.725 1.00 0.00 C ATOM 744 C VAL A 46 -5.065 -3.083 2.920 1.00 0.00 C ATOM 745 O VAL A 46 -5.273 -2.268 3.817 1.00 0.00 O ATOM 746 CB VAL A 46 -2.719 -3.120 1.917 1.00 0.00 C ATOM 747 CG1 VAL A 46 -2.091 -3.551 0.591 1.00 0.00 C ATOM 748 CG2 VAL A 46 -1.917 -1.987 2.561 1.00 0.00 C ATOM 0 H VAL A 46 -4.234 -0.707 2.319 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.549 -3.275 0.865 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.694 -3.975 2.593 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.051 -3.833 0.756 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.639 -4.403 0.189 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.135 -2.724 -0.118 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.881 -2.300 2.686 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.955 -1.105 1.921 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.344 -1.747 3.535 1.00 0.00 H new ATOM 758 N ALA A 47 -5.562 -4.311 2.893 1.00 0.00 N ATOM 759 CA ALA A 47 -6.418 -4.796 3.962 1.00 0.00 C ATOM 760 C ALA A 47 -5.897 -6.149 4.453 1.00 0.00 C ATOM 761 O ALA A 47 -5.753 -7.084 3.668 1.00 0.00 O ATOM 762 CB ALA A 47 -7.862 -4.874 3.464 1.00 0.00 C ATOM 0 H ALA A 47 -5.388 -4.985 2.147 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.401 -4.109 4.808 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.504 -5.238 4.266 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.194 -3.883 3.154 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.918 -5.557 2.616 1.00 0.00 H new ATOM 768 N PHE A 48 -5.628 -6.208 5.749 1.00 0.00 N ATOM 769 CA PHE A 48 -5.126 -7.430 6.354 1.00 0.00 C ATOM 770 C PHE A 48 -6.274 -8.285 6.896 1.00 0.00 C ATOM 771 O PHE A 48 -7.264 -7.755 7.397 1.00 0.00 O ATOM 772 CB PHE A 48 -4.222 -7.015 7.516 1.00 0.00 C ATOM 773 CG PHE A 48 -3.476 -5.699 7.285 1.00 0.00 C ATOM 774 CD1 PHE A 48 -4.078 -4.516 7.581 1.00 0.00 C ATOM 775 CD2 PHE A 48 -2.212 -5.713 6.785 1.00 0.00 C ATOM 776 CE1 PHE A 48 -3.387 -3.295 7.367 1.00 0.00 C ATOM 777 CE2 PHE A 48 -1.520 -4.491 6.571 1.00 0.00 C ATOM 778 CZ PHE A 48 -2.122 -3.308 6.866 1.00 0.00 C ATOM 0 H PHE A 48 -5.748 -5.429 6.397 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.589 -8.020 5.611 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.826 -6.925 8.419 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.494 -7.806 7.697 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.082 -4.506 7.979 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -1.734 -6.653 6.551 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.865 -2.356 7.602 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.516 -4.502 6.174 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.596 -2.379 6.703 1.00 0.00 H new ATOM 788 N GLU A 49 -6.102 -9.593 6.776 1.00 0.00 N ATOM 789 CA GLU A 49 -7.111 -10.527 7.248 1.00 0.00 C ATOM 790 C GLU A 49 -6.920 -10.805 8.740 1.00 0.00 C ATOM 791 O GLU A 49 -6.412 -9.958 9.474 1.00 0.00 O ATOM 792 CB GLU A 49 -7.077 -11.825 6.439 1.00 0.00 C ATOM 793 CG GLU A 49 -5.862 -12.675 6.816 1.00 0.00 C ATOM 794 CD GLU A 49 -5.480 -13.621 5.676 1.00 0.00 C ATOM 795 OE1 GLU A 49 -6.142 -14.677 5.570 1.00 0.00 O ATOM 796 OE2 GLU A 49 -4.535 -13.268 4.938 1.00 0.00 O ATOM 0 H GLU A 49 -5.279 -10.029 6.359 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.092 -10.075 7.106 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.991 -12.392 6.616 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.047 -11.593 5.374 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.019 -12.026 7.053 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.082 -13.252 7.714 1.00 0.00 H new ATOM 803 N GLU A 50 -7.337 -11.996 9.146 1.00 0.00 N ATOM 804 CA GLU A 50 -7.218 -12.396 10.537 1.00 0.00 C ATOM 805 C GLU A 50 -5.829 -12.978 10.806 1.00 0.00 C ATOM 806 O GLU A 50 -5.144 -13.411 9.880 1.00 0.00 O ATOM 807 CB GLU A 50 -8.313 -13.395 10.916 1.00 0.00 C ATOM 808 CG GLU A 50 -7.824 -14.362 11.996 1.00 0.00 C ATOM 809 CD GLU A 50 -8.913 -15.374 12.360 1.00 0.00 C ATOM 810 OE1 GLU A 50 -10.077 -14.936 12.483 1.00 0.00 O ATOM 811 OE2 GLU A 50 -8.556 -16.563 12.507 1.00 0.00 O ATOM 0 H GLU A 50 -7.758 -12.696 8.535 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.347 -11.511 11.161 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.191 -12.858 11.274 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.620 -13.956 10.033 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.937 -14.888 11.643 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.531 -13.803 12.884 1.00 0.00 H new ATOM 818 N GLY A 51 -5.454 -12.970 12.077 1.00 0.00 N ATOM 819 CA GLY A 51 -4.159 -13.491 12.478 1.00 0.00 C ATOM 820 C GLY A 51 -3.118 -12.372 12.559 1.00 0.00 C ATOM 821 O GLY A 51 -2.205 -12.427 13.380 1.00 0.00 O ATOM 0 H GLY A 51 -6.025 -12.611 12.842 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.245 -13.983 13.447 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.831 -14.247 11.765 1.00 0.00 H new ATOM 825 N ARG A 52 -3.292 -11.383 11.695 1.00 0.00 N ATOM 826 CA ARG A 52 -2.379 -10.253 11.658 1.00 0.00 C ATOM 827 C ARG A 52 -2.656 -9.309 12.830 1.00 0.00 C ATOM 828 O ARG A 52 -3.754 -9.307 13.384 1.00 0.00 O ATOM 829 CB ARG A 52 -2.514 -9.479 10.345 1.00 0.00 C ATOM 830 CG ARG A 52 -3.900 -8.841 10.224 1.00 0.00 C ATOM 831 CD ARG A 52 -3.937 -7.476 10.913 1.00 0.00 C ATOM 832 NE ARG A 52 -5.160 -7.359 11.740 1.00 0.00 N ATOM 833 CZ ARG A 52 -5.458 -6.293 12.494 1.00 0.00 C ATOM 834 NH1 ARG A 52 -4.624 -5.244 12.531 1.00 0.00 N ATOM 835 NH2 ARG A 52 -6.589 -6.274 13.211 1.00 0.00 N ATOM 0 H ARG A 52 -4.051 -11.341 11.015 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.364 -10.643 11.733 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.748 -8.705 10.295 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.344 -10.151 9.504 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.162 -8.729 9.172 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.647 -9.498 10.670 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.052 -7.351 11.537 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.915 -6.682 10.167 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.817 -8.139 11.735 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.763 -5.258 11.985 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.851 -4.432 13.105 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.224 -7.072 13.183 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.815 -5.462 13.785 1.00 0.00 H new ATOM 849 N THR A 53 -1.641 -8.528 13.172 1.00 0.00 N ATOM 850 CA THR A 53 -1.762 -7.582 14.267 1.00 0.00 C ATOM 851 C THR A 53 -1.170 -6.228 13.870 1.00 0.00 C ATOM 852 O THR A 53 -0.601 -6.089 12.788 1.00 0.00 O ATOM 853 CB THR A 53 -1.095 -8.197 15.499 1.00 0.00 C ATOM 854 OG1 THR A 53 0.300 -8.080 15.235 1.00 0.00 O ATOM 855 CG2 THR A 53 -1.330 -9.706 15.600 1.00 0.00 C ATOM 0 H THR A 53 -0.732 -8.532 12.710 1.00 0.00 H new ATOM 0 HA THR A 53 -2.807 -7.388 14.507 1.00 0.00 H new ATOM 0 HB THR A 53 -1.474 -7.709 16.397 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.807 -8.454 15.986 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.836 -10.092 16.491 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.400 -9.904 15.664 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.922 -10.198 14.717 1.00 0.00 H new ATOM 863 N LEU A 54 -1.325 -5.264 14.766 1.00 0.00 N ATOM 864 CA LEU A 54 -0.814 -3.926 14.522 1.00 0.00 C ATOM 865 C LEU A 54 0.678 -4.008 14.190 1.00 0.00 C ATOM 866 O LEU A 54 1.180 -3.231 13.379 1.00 0.00 O ATOM 867 CB LEU A 54 -1.131 -3.008 15.704 1.00 0.00 C ATOM 868 CG LEU A 54 -1.918 -1.738 15.374 1.00 0.00 C ATOM 869 CD1 LEU A 54 -1.080 -0.780 14.524 1.00 0.00 C ATOM 870 CD2 LEU A 54 -3.253 -2.077 14.708 1.00 0.00 C ATOM 0 H LEU A 54 -1.797 -5.383 15.662 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.309 -3.480 13.660 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.694 -3.580 16.442 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.192 -2.718 16.175 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.146 -1.225 16.308 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.662 0.115 14.303 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.179 -0.501 15.071 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.801 -1.270 13.591 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.792 -1.156 14.484 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.070 -2.624 13.783 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.850 -2.692 15.381 1.00 0.00 H new ATOM 882 N LEU A 55 1.344 -4.955 14.833 1.00 0.00 N ATOM 883 CA LEU A 55 2.767 -5.148 14.616 1.00 0.00 C ATOM 884 C LEU A 55 3.028 -5.351 13.122 1.00 0.00 C ATOM 885 O LEU A 55 3.978 -4.794 12.573 1.00 0.00 O ATOM 886 CB LEU A 55 3.294 -6.287 15.492 1.00 0.00 C ATOM 887 CG LEU A 55 4.341 -5.899 16.538 1.00 0.00 C ATOM 888 CD1 LEU A 55 5.622 -5.397 15.871 1.00 0.00 C ATOM 889 CD2 LEU A 55 3.774 -4.882 17.531 1.00 0.00 C ATOM 0 H LEU A 55 0.924 -5.597 15.505 1.00 0.00 H new ATOM 0 HA LEU A 55 3.322 -4.260 14.920 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.449 -6.745 16.006 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.723 -7.050 14.842 1.00 0.00 H new ATOM 0 HG LEU A 55 4.603 -6.791 17.107 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.350 -5.128 16.637 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.035 -6.183 15.238 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.396 -4.522 15.262 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.539 -4.623 18.263 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.466 -3.984 16.996 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.913 -5.313 18.042 1.00 0.00 H new ATOM 901 N ASP A 56 2.169 -6.150 12.507 1.00 0.00 N ATOM 902 CA ASP A 56 2.294 -6.433 11.088 1.00 0.00 C ATOM 903 C ASP A 56 2.014 -5.158 10.291 1.00 0.00 C ATOM 904 O ASP A 56 2.642 -4.914 9.262 1.00 0.00 O ATOM 905 CB ASP A 56 1.287 -7.497 10.647 1.00 0.00 C ATOM 906 CG ASP A 56 1.560 -8.906 11.178 1.00 0.00 C ATOM 907 OD1 ASP A 56 2.703 -9.374 10.984 1.00 0.00 O ATOM 908 OD2 ASP A 56 0.620 -9.483 11.766 1.00 0.00 O ATOM 0 H ASP A 56 1.383 -6.611 12.966 1.00 0.00 H new ATOM 0 HA ASP A 56 3.305 -6.796 10.905 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.292 -7.190 10.970 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.272 -7.532 9.558 1.00 0.00 H new ATOM 913 N HIS A 57 1.069 -4.378 10.796 1.00 0.00 N ATOM 914 CA HIS A 57 0.698 -3.134 10.144 1.00 0.00 C ATOM 915 C HIS A 57 1.921 -2.220 10.048 1.00 0.00 C ATOM 916 O HIS A 57 2.252 -1.732 8.968 1.00 0.00 O ATOM 917 CB HIS A 57 -0.480 -2.474 10.864 1.00 0.00 C ATOM 918 CG HIS A 57 -1.820 -3.091 10.542 1.00 0.00 C ATOM 919 ND1 HIS A 57 -2.938 -2.335 10.231 1.00 0.00 N ATOM 920 CD2 HIS A 57 -2.210 -4.396 10.486 1.00 0.00 C ATOM 921 CE1 HIS A 57 -3.949 -3.160 10.001 1.00 0.00 C ATOM 922 NE2 HIS A 57 -3.496 -4.437 10.159 1.00 0.00 N ATOM 0 H HIS A 57 0.549 -4.584 11.649 1.00 0.00 H new ATOM 0 HA HIS A 57 0.360 -3.338 9.128 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.314 -2.532 11.940 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -0.506 -1.416 10.602 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -2.977 -1.317 10.187 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.579 -5.252 10.676 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.955 -2.872 9.735 1.00 0.00 H new ATOM 930 N ALA A 58 2.559 -2.016 11.191 1.00 0.00 N ATOM 931 CA ALA A 58 3.739 -1.170 11.249 1.00 0.00 C ATOM 932 C ALA A 58 4.890 -1.856 10.511 1.00 0.00 C ATOM 933 O ALA A 58 5.656 -1.202 9.804 1.00 0.00 O ATOM 934 CB ALA A 58 4.080 -0.868 12.709 1.00 0.00 C ATOM 0 H ALA A 58 2.281 -2.422 12.084 1.00 0.00 H new ATOM 0 HA ALA A 58 3.552 -0.217 10.754 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.965 -0.233 12.752 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.242 -0.354 13.180 1.00 0.00 H new ATOM 0 HB3 ALA A 58 4.276 -1.801 13.237 1.00 0.00 H new ATOM 940 N ARG A 59 4.977 -3.164 10.700 1.00 0.00 N ATOM 941 CA ARG A 59 6.022 -3.945 10.061 1.00 0.00 C ATOM 942 C ARG A 59 5.875 -3.884 8.540 1.00 0.00 C ATOM 943 O ARG A 59 6.862 -3.722 7.823 1.00 0.00 O ATOM 944 CB ARG A 59 5.971 -5.406 10.514 1.00 0.00 C ATOM 945 CG ARG A 59 6.870 -5.635 11.731 1.00 0.00 C ATOM 946 CD ARG A 59 8.127 -6.416 11.345 1.00 0.00 C ATOM 947 NE ARG A 59 8.836 -6.867 12.564 1.00 0.00 N ATOM 948 CZ ARG A 59 8.381 -7.820 13.389 1.00 0.00 C ATOM 949 NH1 ARG A 59 7.214 -8.427 13.132 1.00 0.00 N ATOM 950 NH2 ARG A 59 9.091 -8.164 14.471 1.00 0.00 N ATOM 0 H ARG A 59 4.340 -3.703 11.287 1.00 0.00 H new ATOM 0 HA ARG A 59 6.982 -3.519 10.353 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.945 -5.679 10.759 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.287 -6.055 9.697 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.152 -4.676 12.165 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.319 -6.181 12.497 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.857 -7.276 10.732 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.784 -5.789 10.743 1.00 0.00 H new ATOM 0 HE ARG A 59 9.727 -6.425 12.790 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.673 -8.164 12.309 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.867 -9.152 13.760 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.978 -7.701 14.667 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.745 -8.889 15.099 1.00 0.00 H new ATOM 964 N LEU A 60 4.636 -4.018 8.091 1.00 0.00 N ATOM 965 CA LEU A 60 4.347 -3.981 6.667 1.00 0.00 C ATOM 966 C LEU A 60 4.829 -2.649 6.089 1.00 0.00 C ATOM 967 O LEU A 60 5.339 -2.602 4.971 1.00 0.00 O ATOM 968 CB LEU A 60 2.865 -4.261 6.413 1.00 0.00 C ATOM 969 CG LEU A 60 2.488 -4.629 4.977 1.00 0.00 C ATOM 970 CD1 LEU A 60 3.678 -5.244 4.238 1.00 0.00 C ATOM 971 CD2 LEU A 60 1.261 -5.543 4.949 1.00 0.00 C ATOM 0 H LEU A 60 3.820 -4.152 8.688 1.00 0.00 H new ATOM 0 HA LEU A 60 4.890 -4.771 6.147 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.552 -5.073 7.069 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.294 -3.379 6.703 1.00 0.00 H new ATOM 0 HG LEU A 60 2.220 -3.714 4.449 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.383 -5.496 3.220 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.499 -4.528 4.211 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.001 -6.147 4.756 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.014 -5.789 3.916 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.477 -6.459 5.499 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.416 -5.033 5.412 1.00 0.00 H new ATOM 983 N LYS A 61 4.650 -1.599 6.877 1.00 0.00 N ATOM 984 CA LYS A 61 5.060 -0.269 6.457 1.00 0.00 C ATOM 985 C LYS A 61 6.584 -0.224 6.338 1.00 0.00 C ATOM 986 O LYS A 61 7.118 0.184 5.308 1.00 0.00 O ATOM 987 CB LYS A 61 4.485 0.791 7.398 1.00 0.00 C ATOM 988 CG LYS A 61 5.520 1.877 7.698 1.00 0.00 C ATOM 989 CD LYS A 61 5.833 2.698 6.445 1.00 0.00 C ATOM 990 CE LYS A 61 6.317 4.101 6.816 1.00 0.00 C ATOM 991 NZ LYS A 61 5.368 4.746 7.751 1.00 0.00 N ATOM 0 H LYS A 61 4.227 -1.642 7.804 1.00 0.00 H new ATOM 0 HA LYS A 61 4.656 -0.039 5.471 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.600 1.241 6.947 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.165 0.322 8.328 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.146 2.534 8.483 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.434 1.419 8.075 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.596 2.191 5.854 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.942 2.770 5.821 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.305 4.042 7.274 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.418 4.707 5.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.299 5.760 7.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.431 4.306 7.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.706 4.626 8.727 1.00 0.00 H new ATOM 1005 N LEU A 62 7.242 -0.650 7.406 1.00 0.00 N ATOM 1006 CA LEU A 62 8.695 -0.663 7.434 1.00 0.00 C ATOM 1007 C LEU A 62 9.212 -1.634 6.371 1.00 0.00 C ATOM 1008 O LEU A 62 10.185 -1.340 5.678 1.00 0.00 O ATOM 1009 CB LEU A 62 9.201 -0.971 8.846 1.00 0.00 C ATOM 1010 CG LEU A 62 9.592 -2.425 9.116 1.00 0.00 C ATOM 1011 CD1 LEU A 62 10.976 -2.736 8.542 1.00 0.00 C ATOM 1012 CD2 LEU A 62 9.505 -2.747 10.609 1.00 0.00 C ATOM 0 H LEU A 62 6.796 -0.989 8.258 1.00 0.00 H new ATOM 0 HA LEU A 62 9.090 0.322 7.186 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.067 -0.340 9.046 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.427 -0.685 9.558 1.00 0.00 H new ATOM 0 HG LEU A 62 8.879 -3.072 8.605 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.230 -3.776 8.748 1.00 0.00 H new ATOM 0 HD12 LEU A 62 10.969 -2.570 7.465 1.00 0.00 H new ATOM 0 HD13 LEU A 62 11.717 -2.083 9.004 1.00 0.00 H new ATOM 0 HD21 LEU A 62 9.788 -3.787 10.774 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.181 -2.095 11.162 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.484 -2.589 10.956 1.00 0.00 H new ATOM 1024 N ALA A 63 8.539 -2.771 6.275 1.00 0.00 N ATOM 1025 CA ALA A 63 8.918 -3.786 5.308 1.00 0.00 C ATOM 1026 C ALA A 63 8.794 -3.211 3.896 1.00 0.00 C ATOM 1027 O ALA A 63 9.704 -3.356 3.080 1.00 0.00 O ATOM 1028 CB ALA A 63 8.052 -5.032 5.508 1.00 0.00 C ATOM 0 H ALA A 63 7.733 -3.012 6.852 1.00 0.00 H new ATOM 0 HA ALA A 63 9.956 -4.084 5.453 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.337 -5.793 4.782 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.199 -5.419 6.516 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.003 -4.772 5.368 1.00 0.00 H new ATOM 1034 N LEU A 64 7.661 -2.570 3.649 1.00 0.00 N ATOM 1035 CA LEU A 64 7.406 -1.973 2.350 1.00 0.00 C ATOM 1036 C LEU A 64 8.478 -0.920 2.059 1.00 0.00 C ATOM 1037 O LEU A 64 8.963 -0.818 0.933 1.00 0.00 O ATOM 1038 CB LEU A 64 5.977 -1.431 2.280 1.00 0.00 C ATOM 1039 CG LEU A 64 4.882 -2.461 1.996 1.00 0.00 C ATOM 1040 CD1 LEU A 64 4.119 -2.112 0.717 1.00 0.00 C ATOM 1041 CD2 LEU A 64 5.460 -3.877 1.950 1.00 0.00 C ATOM 0 H LEU A 64 6.909 -2.451 4.328 1.00 0.00 H new ATOM 0 HA LEU A 64 7.475 -2.726 1.565 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.749 -0.940 3.226 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.938 -0.665 1.505 1.00 0.00 H new ATOM 0 HG LEU A 64 4.165 -2.432 2.817 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.347 -2.860 0.538 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.656 -1.131 0.826 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.810 -2.096 -0.126 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.661 -4.590 1.747 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.210 -3.938 1.162 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.921 -4.113 2.909 1.00 0.00 H new ATOM 1053 N GLU A 65 8.816 -0.164 3.093 1.00 0.00 N ATOM 1054 CA GLU A 65 9.821 0.877 2.962 1.00 0.00 C ATOM 1055 C GLU A 65 11.214 0.257 2.838 1.00 0.00 C ATOM 1056 O GLU A 65 12.111 0.851 2.241 1.00 0.00 O ATOM 1057 CB GLU A 65 9.757 1.851 4.140 1.00 0.00 C ATOM 1058 CG GLU A 65 8.575 2.812 3.994 1.00 0.00 C ATOM 1059 CD GLU A 65 8.647 3.932 5.034 1.00 0.00 C ATOM 1060 OE1 GLU A 65 9.139 3.643 6.146 1.00 0.00 O ATOM 1061 OE2 GLU A 65 8.209 5.052 4.693 1.00 0.00 O ATOM 0 H GLU A 65 8.412 -0.252 4.025 1.00 0.00 H new ATOM 0 HA GLU A 65 9.615 1.443 2.053 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.664 1.294 5.072 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.686 2.418 4.198 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.572 3.241 2.992 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.640 2.264 4.109 1.00 0.00 H new ATOM 1068 N GLY A 66 11.352 -0.929 3.412 1.00 0.00 N ATOM 1069 CA GLY A 66 12.621 -1.636 3.373 1.00 0.00 C ATOM 1070 C GLY A 66 12.892 -2.199 1.976 1.00 0.00 C ATOM 1071 O GLY A 66 14.004 -2.085 1.462 1.00 0.00 O ATOM 0 H GLY A 66 10.606 -1.418 3.907 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.427 -0.960 3.659 1.00 0.00 H new ATOM 0 HA3 GLY A 66 12.612 -2.448 4.101 1.00 0.00 H new ATOM 1075 N LEU A 67 11.858 -2.795 1.402 1.00 0.00 N ATOM 1076 CA LEU A 67 11.970 -3.376 0.075 1.00 0.00 C ATOM 1077 C LEU A 67 12.273 -2.270 -0.938 1.00 0.00 C ATOM 1078 O LEU A 67 13.158 -2.419 -1.779 1.00 0.00 O ATOM 1079 CB LEU A 67 10.720 -4.192 -0.261 1.00 0.00 C ATOM 1080 CG LEU A 67 10.935 -5.691 -0.477 1.00 0.00 C ATOM 1081 CD1 LEU A 67 10.620 -6.479 0.797 1.00 0.00 C ATOM 1082 CD2 LEU A 67 10.129 -6.194 -1.676 1.00 0.00 C ATOM 0 H LEU A 67 10.938 -2.888 1.832 1.00 0.00 H new ATOM 0 HA LEU A 67 12.801 -4.080 0.037 1.00 0.00 H new ATOM 0 HB2 LEU A 67 9.998 -4.061 0.545 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.270 -3.776 -1.163 1.00 0.00 H new ATOM 0 HG LEU A 67 11.988 -5.855 -0.706 1.00 0.00 H new ATOM 0 HD11 LEU A 67 10.781 -7.542 0.617 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.274 -6.145 1.603 1.00 0.00 H new ATOM 0 HD13 LEU A 67 9.581 -6.312 1.080 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.300 -7.262 -1.807 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.068 -6.015 -1.502 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.444 -5.663 -2.575 1.00 0.00 H new ATOM 1094 N LEU A 68 11.521 -1.185 -0.823 1.00 0.00 N ATOM 1095 CA LEU A 68 11.698 -0.054 -1.718 1.00 0.00 C ATOM 1096 C LEU A 68 12.772 0.877 -1.150 1.00 0.00 C ATOM 1097 O LEU A 68 13.194 1.822 -1.815 1.00 0.00 O ATOM 1098 CB LEU A 68 10.359 0.638 -1.977 1.00 0.00 C ATOM 1099 CG LEU A 68 9.532 0.085 -3.140 1.00 0.00 C ATOM 1100 CD1 LEU A 68 8.070 0.523 -3.030 1.00 0.00 C ATOM 1101 CD2 LEU A 68 10.148 0.476 -4.485 1.00 0.00 C ATOM 0 H LEU A 68 10.788 -1.065 -0.124 1.00 0.00 H new ATOM 0 HA LEU A 68 12.051 -0.391 -2.693 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.759 0.576 -1.069 1.00 0.00 H new ATOM 0 HB3 LEU A 68 10.549 1.695 -2.163 1.00 0.00 H new ATOM 0 HG LEU A 68 9.547 -1.003 -3.083 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.504 0.117 -3.868 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.649 0.153 -2.095 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.014 1.611 -3.048 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.541 0.071 -5.295 1.00 0.00 H new ATOM 0 HD22 LEU A 68 10.183 1.562 -4.567 1.00 0.00 H new ATOM 0 HD23 LEU A 68 11.159 0.074 -4.553 1.00 0.00 H new ATOM 1113 N GLY A 69 13.183 0.577 0.073 1.00 0.00 N ATOM 1114 CA GLY A 69 14.199 1.376 0.738 1.00 0.00 C ATOM 1115 C GLY A 69 13.864 2.866 0.659 1.00 0.00 C ATOM 1116 O GLY A 69 14.743 3.713 0.811 1.00 0.00 O ATOM 0 H GLY A 69 12.831 -0.208 0.621 1.00 0.00 H new ATOM 0 HA2 GLY A 69 14.279 1.073 1.782 1.00 0.00 H new ATOM 0 HA3 GLY A 69 15.170 1.193 0.277 1.00 0.00 H new ATOM 1120 N VAL A 70 12.589 3.142 0.423 1.00 0.00 N ATOM 1121 CA VAL A 70 12.127 4.515 0.323 1.00 0.00 C ATOM 1122 C VAL A 70 10.897 4.701 1.214 1.00 0.00 C ATOM 1123 O VAL A 70 10.439 3.754 1.851 1.00 0.00 O ATOM 1124 CB VAL A 70 11.864 4.873 -1.141 1.00 0.00 C ATOM 1125 CG1 VAL A 70 13.083 4.560 -2.010 1.00 0.00 C ATOM 1126 CG2 VAL A 70 10.618 4.156 -1.666 1.00 0.00 C ATOM 0 H VAL A 70 11.862 2.437 0.298 1.00 0.00 H new ATOM 0 HA VAL A 70 12.894 5.203 0.679 1.00 0.00 H new ATOM 0 HB VAL A 70 11.681 5.946 -1.195 1.00 0.00 H new ATOM 0 HG11 VAL A 70 12.869 4.824 -3.046 1.00 0.00 H new ATOM 0 HG12 VAL A 70 13.938 5.136 -1.658 1.00 0.00 H new ATOM 0 HG13 VAL A 70 13.312 3.496 -1.947 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.454 4.428 -2.709 1.00 0.00 H new ATOM 0 HG22 VAL A 70 10.760 3.078 -1.590 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.752 4.451 -1.074 1.00 0.00 H new ATOM 1136 N ARG A 71 10.397 5.928 1.230 1.00 0.00 N ATOM 1137 CA ARG A 71 9.229 6.250 2.032 1.00 0.00 C ATOM 1138 C ARG A 71 7.961 5.724 1.358 1.00 0.00 C ATOM 1139 O ARG A 71 7.724 5.988 0.181 1.00 0.00 O ATOM 1140 CB ARG A 71 9.101 7.761 2.237 1.00 0.00 C ATOM 1141 CG ARG A 71 7.852 8.100 3.052 1.00 0.00 C ATOM 1142 CD ARG A 71 7.873 9.561 3.506 1.00 0.00 C ATOM 1143 NE ARG A 71 7.402 9.662 4.906 1.00 0.00 N ATOM 1144 CZ ARG A 71 6.114 9.605 5.271 1.00 0.00 C ATOM 1145 NH1 ARG A 71 5.161 9.446 4.343 1.00 0.00 N ATOM 1146 NH2 ARG A 71 5.780 9.706 6.565 1.00 0.00 N ATOM 0 H ARG A 71 10.780 6.711 0.700 1.00 0.00 H new ATOM 0 HA ARG A 71 9.352 5.772 3.004 1.00 0.00 H new ATOM 0 HB2 ARG A 71 9.987 8.138 2.748 1.00 0.00 H new ATOM 0 HB3 ARG A 71 9.055 8.260 1.269 1.00 0.00 H new ATOM 0 HG2 ARG A 71 6.961 7.915 2.452 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.793 7.446 3.922 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.883 9.962 3.424 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.238 10.162 2.855 1.00 0.00 H new ATOM 0 HE ARG A 71 8.102 9.782 5.638 1.00 0.00 H new ATOM 0 HH11 ARG A 71 5.416 9.368 3.358 1.00 0.00 H new ATOM 0 HH12 ARG A 71 4.181 9.403 4.621 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.506 9.826 7.271 1.00 0.00 H new ATOM 0 HH22 ARG A 71 4.800 9.663 6.844 1.00 0.00 H new ATOM 1160 N VAL A 72 7.178 4.989 2.134 1.00 0.00 N ATOM 1161 CA VAL A 72 5.939 4.423 1.627 1.00 0.00 C ATOM 1162 C VAL A 72 4.819 4.671 2.639 1.00 0.00 C ATOM 1163 O VAL A 72 5.052 4.653 3.846 1.00 0.00 O ATOM 1164 CB VAL A 72 6.135 2.941 1.303 1.00 0.00 C ATOM 1165 CG1 VAL A 72 4.811 2.287 0.904 1.00 0.00 C ATOM 1166 CG2 VAL A 72 7.191 2.752 0.212 1.00 0.00 C ATOM 0 H VAL A 72 7.378 4.772 3.111 1.00 0.00 H new ATOM 0 HA VAL A 72 5.649 4.910 0.696 1.00 0.00 H new ATOM 0 HB VAL A 72 6.494 2.446 2.205 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.979 1.234 0.679 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.100 2.374 1.726 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.409 2.787 0.023 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.310 1.689 0.001 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.874 3.268 -0.694 1.00 0.00 H new ATOM 0 HG23 VAL A 72 8.142 3.164 0.551 1.00 0.00 H new ATOM 1176 N ASP A 73 3.626 4.898 2.108 1.00 0.00 N ATOM 1177 CA ASP A 73 2.468 5.149 2.949 1.00 0.00 C ATOM 1178 C ASP A 73 1.457 4.015 2.771 1.00 0.00 C ATOM 1179 O ASP A 73 0.890 3.848 1.693 1.00 0.00 O ATOM 1180 CB ASP A 73 1.780 6.460 2.563 1.00 0.00 C ATOM 1181 CG ASP A 73 1.328 7.325 3.741 1.00 0.00 C ATOM 1182 OD1 ASP A 73 2.108 7.413 4.713 1.00 0.00 O ATOM 1183 OD2 ASP A 73 0.211 7.879 3.642 1.00 0.00 O ATOM 0 H ASP A 73 3.437 4.913 1.106 1.00 0.00 H new ATOM 0 HA ASP A 73 2.810 5.211 3.982 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.463 7.043 1.945 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.911 6.229 1.947 1.00 0.00 H new ATOM 1188 N ILE A 74 1.264 3.264 3.846 1.00 0.00 N ATOM 1189 CA ILE A 74 0.331 2.149 3.821 1.00 0.00 C ATOM 1190 C ILE A 74 -0.958 2.554 4.539 1.00 0.00 C ATOM 1191 O ILE A 74 -0.923 3.315 5.504 1.00 0.00 O ATOM 1192 CB ILE A 74 0.985 0.891 4.395 1.00 0.00 C ATOM 1193 CG1 ILE A 74 2.092 0.379 3.471 1.00 0.00 C ATOM 1194 CG2 ILE A 74 -0.061 -0.186 4.688 1.00 0.00 C ATOM 1195 CD1 ILE A 74 2.622 -0.975 3.948 1.00 0.00 C ATOM 0 H ILE A 74 1.737 3.405 4.739 1.00 0.00 H new ATOM 0 HA ILE A 74 0.061 1.900 2.795 1.00 0.00 H new ATOM 0 HB ILE A 74 1.453 1.152 5.344 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.708 0.286 2.455 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.907 1.102 3.439 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.431 -1.070 5.095 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.782 0.194 5.412 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.578 -0.451 3.766 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.408 -1.316 3.274 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.027 -0.873 4.955 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.810 -1.702 3.956 1.00 0.00 H new ATOM 1207 N VAL A 75 -2.066 2.026 4.039 1.00 0.00 N ATOM 1208 CA VAL A 75 -3.364 2.322 4.621 1.00 0.00 C ATOM 1209 C VAL A 75 -4.133 1.016 4.833 1.00 0.00 C ATOM 1210 O VAL A 75 -4.005 0.081 4.045 1.00 0.00 O ATOM 1211 CB VAL A 75 -4.116 3.321 3.740 1.00 0.00 C ATOM 1212 CG1 VAL A 75 -5.592 2.937 3.611 1.00 0.00 C ATOM 1213 CG2 VAL A 75 -3.965 4.746 4.276 1.00 0.00 C ATOM 0 H VAL A 75 -2.091 1.395 3.238 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.247 2.793 5.597 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.674 3.289 2.744 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.103 3.664 2.980 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.672 1.947 3.163 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -6.053 2.927 4.599 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.509 5.437 3.632 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.368 4.799 5.287 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.910 5.019 4.292 1.00 0.00 H new ATOM 1223 N SER A 76 -4.914 0.994 5.903 1.00 0.00 N ATOM 1224 CA SER A 76 -5.704 -0.182 6.229 1.00 0.00 C ATOM 1225 C SER A 76 -7.184 0.090 5.956 1.00 0.00 C ATOM 1226 O SER A 76 -7.767 1.008 6.531 1.00 0.00 O ATOM 1227 CB SER A 76 -5.500 -0.594 7.688 1.00 0.00 C ATOM 1228 OG SER A 76 -6.319 0.162 8.576 1.00 0.00 O ATOM 0 H SER A 76 -5.017 1.771 6.555 1.00 0.00 H new ATOM 0 HA SER A 76 -5.370 -1.005 5.597 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.726 -1.654 7.800 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.453 -0.461 7.959 1.00 0.00 H new ATOM 0 HG SER A 76 -6.661 -0.423 9.284 1.00 0.00 H new ATOM 1234 N GLU A 77 -7.751 -0.725 5.079 1.00 0.00 N ATOM 1235 CA GLU A 77 -9.152 -0.585 4.723 1.00 0.00 C ATOM 1236 C GLU A 77 -9.993 -0.312 5.972 1.00 0.00 C ATOM 1237 O GLU A 77 -10.948 0.461 5.925 1.00 0.00 O ATOM 1238 CB GLU A 77 -9.657 -1.825 3.982 1.00 0.00 C ATOM 1239 CG GLU A 77 -9.514 -1.656 2.469 1.00 0.00 C ATOM 1240 CD GLU A 77 -10.228 -2.784 1.721 1.00 0.00 C ATOM 1241 OE1 GLU A 77 -10.623 -3.755 2.402 1.00 0.00 O ATOM 1242 OE2 GLU A 77 -10.363 -2.650 0.486 1.00 0.00 O ATOM 0 H GLU A 77 -7.265 -1.485 4.604 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.251 0.266 4.049 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.097 -2.701 4.308 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.702 -2.003 4.234 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.929 -0.695 2.166 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.458 -1.647 2.199 1.00 0.00 H new ATOM 1249 N ARG A 78 -9.606 -0.961 7.060 1.00 0.00 N ATOM 1250 CA ARG A 78 -10.312 -0.798 8.319 1.00 0.00 C ATOM 1251 C ARG A 78 -10.204 0.649 8.805 1.00 0.00 C ATOM 1252 O ARG A 78 -11.216 1.296 9.067 1.00 0.00 O ATOM 1253 CB ARG A 78 -9.747 -1.732 9.392 1.00 0.00 C ATOM 1254 CG ARG A 78 -10.859 -2.562 10.036 1.00 0.00 C ATOM 1255 CD ARG A 78 -10.354 -3.271 11.295 1.00 0.00 C ATOM 1256 NE ARG A 78 -11.300 -3.053 12.412 1.00 0.00 N ATOM 1257 CZ ARG A 78 -11.495 -1.870 13.011 1.00 0.00 C ATOM 1258 NH1 ARG A 78 -10.812 -0.792 12.603 1.00 0.00 N ATOM 1259 NH2 ARG A 78 -12.374 -1.765 14.017 1.00 0.00 N ATOM 0 H ARG A 78 -8.812 -1.601 7.096 1.00 0.00 H new ATOM 0 HA ARG A 78 -11.358 -1.050 8.147 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.004 -2.395 8.948 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.236 -1.147 10.156 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -11.699 -1.916 10.290 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.228 -3.299 9.322 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.245 -4.338 11.103 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.367 -2.894 11.564 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.837 -3.853 12.747 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.144 -0.872 11.837 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.960 0.108 13.059 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.895 -2.585 14.327 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.522 -0.865 14.473 1.00 0.00 H new ATOM 1273 N GLY A 79 -8.968 1.113 8.910 1.00 0.00 N ATOM 1274 CA GLY A 79 -8.715 2.472 9.359 1.00 0.00 C ATOM 1275 C GLY A 79 -9.439 3.487 8.472 1.00 0.00 C ATOM 1276 O GLY A 79 -10.029 4.444 8.971 1.00 0.00 O ATOM 0 H GLY A 79 -8.131 0.573 8.692 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.046 2.585 10.391 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.643 2.670 9.344 1.00 0.00 H new ATOM 1280 N LEU A 80 -9.369 3.243 7.171 1.00 0.00 N ATOM 1281 CA LEU A 80 -10.011 4.123 6.210 1.00 0.00 C ATOM 1282 C LEU A 80 -11.500 4.235 6.541 1.00 0.00 C ATOM 1283 O LEU A 80 -12.192 3.224 6.653 1.00 0.00 O ATOM 1284 CB LEU A 80 -9.733 3.651 4.781 1.00 0.00 C ATOM 1285 CG LEU A 80 -8.499 4.252 4.104 1.00 0.00 C ATOM 1286 CD1 LEU A 80 -8.888 5.418 3.193 1.00 0.00 C ATOM 1287 CD2 LEU A 80 -7.449 4.659 5.139 1.00 0.00 C ATOM 0 H LEU A 80 -8.878 2.449 6.761 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.593 5.127 6.277 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -9.625 2.566 4.792 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -10.606 3.878 4.168 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.048 3.486 3.473 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.993 5.827 2.724 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.573 5.065 2.422 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.376 6.194 3.783 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.583 5.083 4.631 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.873 5.402 5.815 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.142 3.783 5.710 1.00 0.00 H new ATOM 1299 N ALA A 81 -11.950 5.473 6.689 1.00 0.00 N ATOM 1300 CA ALA A 81 -13.344 5.730 7.006 1.00 0.00 C ATOM 1301 C ALA A 81 -14.234 4.857 6.118 1.00 0.00 C ATOM 1302 O ALA A 81 -13.785 4.352 5.090 1.00 0.00 O ATOM 1303 CB ALA A 81 -13.639 7.222 6.840 1.00 0.00 C ATOM 0 H ALA A 81 -11.373 6.309 6.595 1.00 0.00 H new ATOM 0 HA ALA A 81 -13.556 5.469 8.043 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -14.685 7.415 7.078 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -13.002 7.796 7.513 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -13.440 7.520 5.810 1.00 0.00 H new ATOM 1309 N PRO A 82 -15.511 4.702 6.558 1.00 0.00 N ATOM 1310 CA PRO A 82 -16.467 3.900 5.815 1.00 0.00 C ATOM 1311 C PRO A 82 -16.950 4.640 4.566 1.00 0.00 C ATOM 1312 O PRO A 82 -17.059 4.049 3.493 1.00 0.00 O ATOM 1313 CB PRO A 82 -17.585 3.606 6.801 1.00 0.00 C ATOM 1314 CG PRO A 82 -17.443 4.635 7.911 1.00 0.00 C ATOM 1315 CD PRO A 82 -16.077 5.285 7.771 1.00 0.00 C ATOM 0 HA PRO A 82 -16.035 2.974 5.437 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -18.560 3.682 6.320 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -17.502 2.593 7.195 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -18.231 5.384 7.840 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -17.542 4.160 8.887 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -16.161 6.369 7.688 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -15.450 5.080 8.639 1.00 0.00 H new ATOM 1323 N ARG A 83 -17.228 5.923 4.748 1.00 0.00 N ATOM 1324 CA ARG A 83 -17.697 6.750 3.649 1.00 0.00 C ATOM 1325 C ARG A 83 -16.536 7.103 2.717 1.00 0.00 C ATOM 1326 O ARG A 83 -16.741 7.339 1.527 1.00 0.00 O ATOM 1327 CB ARG A 83 -18.337 8.040 4.166 1.00 0.00 C ATOM 1328 CG ARG A 83 -17.301 8.928 4.857 1.00 0.00 C ATOM 1329 CD ARG A 83 -17.971 10.118 5.546 1.00 0.00 C ATOM 1330 NE ARG A 83 -18.821 9.645 6.662 1.00 0.00 N ATOM 1331 CZ ARG A 83 -19.553 10.451 7.442 1.00 0.00 C ATOM 1332 NH1 ARG A 83 -19.545 11.775 7.234 1.00 0.00 N ATOM 1333 NH2 ARG A 83 -20.294 9.934 8.431 1.00 0.00 N ATOM 0 H ARG A 83 -17.137 6.410 5.640 1.00 0.00 H new ATOM 0 HA ARG A 83 -18.447 6.179 3.101 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -18.791 8.583 3.337 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -19.138 7.798 4.865 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -16.747 8.343 5.591 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -16.578 9.287 4.124 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -17.213 10.805 5.922 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -18.575 10.672 4.827 1.00 0.00 H new ATOM 0 HE ARG A 83 -18.851 8.643 6.849 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -18.981 12.170 6.481 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -20.103 12.388 7.829 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -20.301 8.927 8.590 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -20.851 10.548 9.025 1.00 0.00 H new ATOM 1347 N LEU A 84 -15.343 7.127 3.292 1.00 0.00 N ATOM 1348 CA LEU A 84 -14.150 7.447 2.528 1.00 0.00 C ATOM 1349 C LEU A 84 -13.659 6.190 1.807 1.00 0.00 C ATOM 1350 O LEU A 84 -13.114 6.273 0.707 1.00 0.00 O ATOM 1351 CB LEU A 84 -13.094 8.092 3.427 1.00 0.00 C ATOM 1352 CG LEU A 84 -13.280 9.582 3.718 1.00 0.00 C ATOM 1353 CD1 LEU A 84 -12.132 10.121 4.574 1.00 0.00 C ATOM 1354 CD2 LEU A 84 -13.449 10.377 2.421 1.00 0.00 C ATOM 0 H LEU A 84 -15.177 6.930 4.279 1.00 0.00 H new ATOM 0 HA LEU A 84 -14.377 8.187 1.761 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -13.077 7.556 4.376 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -12.117 7.952 2.964 1.00 0.00 H new ATOM 0 HG LEU A 84 -14.197 9.705 4.294 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -12.289 11.182 4.766 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.100 9.582 5.521 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -11.189 9.983 4.046 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -13.580 11.433 2.656 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -12.563 10.251 1.799 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -14.325 10.014 1.883 1.00 0.00 H new ATOM 1366 N ARG A 85 -13.870 5.054 2.456 1.00 0.00 N ATOM 1367 CA ARG A 85 -13.455 3.781 1.891 1.00 0.00 C ATOM 1368 C ARG A 85 -13.995 3.632 0.467 1.00 0.00 C ATOM 1369 O ARG A 85 -13.247 3.309 -0.454 1.00 0.00 O ATOM 1370 CB ARG A 85 -13.953 2.612 2.743 1.00 0.00 C ATOM 1371 CG ARG A 85 -13.601 1.272 2.094 1.00 0.00 C ATOM 1372 CD ARG A 85 -14.300 0.115 2.811 1.00 0.00 C ATOM 1373 NE ARG A 85 -15.722 0.055 2.407 1.00 0.00 N ATOM 1374 CZ ARG A 85 -16.588 -0.871 2.842 1.00 0.00 C ATOM 1375 NH1 ARG A 85 -16.183 -1.819 3.697 1.00 0.00 N ATOM 1376 NH2 ARG A 85 -17.860 -0.848 2.421 1.00 0.00 N ATOM 0 H ARG A 85 -14.323 4.989 3.368 1.00 0.00 H new ATOM 0 HA ARG A 85 -12.365 3.765 1.874 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -13.509 2.667 3.737 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -15.033 2.685 2.872 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -13.894 1.284 1.044 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -12.522 1.123 2.122 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -13.805 -0.826 2.570 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -14.225 0.247 3.890 1.00 0.00 H new ATOM 0 HE ARG A 85 -16.065 0.762 1.757 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -15.215 -1.837 4.018 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -16.843 -2.523 4.028 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -18.169 -0.126 1.770 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -18.519 -1.552 2.752 1.00 0.00 H new ATOM 1390 N GLU A 86 -15.291 3.874 0.331 1.00 0.00 N ATOM 1391 CA GLU A 86 -15.940 3.770 -0.965 1.00 0.00 C ATOM 1392 C GLU A 86 -15.206 4.630 -1.996 1.00 0.00 C ATOM 1393 O GLU A 86 -15.006 4.206 -3.134 1.00 0.00 O ATOM 1394 CB GLU A 86 -17.415 4.165 -0.873 1.00 0.00 C ATOM 1395 CG GLU A 86 -18.250 3.412 -1.911 1.00 0.00 C ATOM 1396 CD GLU A 86 -19.643 4.030 -2.047 1.00 0.00 C ATOM 1397 OE1 GLU A 86 -19.699 5.252 -2.307 1.00 0.00 O ATOM 1398 OE2 GLU A 86 -20.620 3.268 -1.887 1.00 0.00 O ATOM 0 H GLU A 86 -15.909 4.142 1.097 1.00 0.00 H new ATOM 0 HA GLU A 86 -15.896 2.730 -1.289 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -17.791 3.950 0.127 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -17.518 5.239 -1.028 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -17.743 3.433 -2.876 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -18.339 2.365 -1.621 1.00 0.00 H new ATOM 1405 N GLN A 87 -14.824 5.822 -1.562 1.00 0.00 N ATOM 1406 CA GLN A 87 -14.116 6.745 -2.433 1.00 0.00 C ATOM 1407 C GLN A 87 -12.682 6.264 -2.663 1.00 0.00 C ATOM 1408 O GLN A 87 -12.140 6.417 -3.756 1.00 0.00 O ATOM 1409 CB GLN A 87 -14.133 8.163 -1.859 1.00 0.00 C ATOM 1410 CG GLN A 87 -13.654 9.180 -2.897 1.00 0.00 C ATOM 1411 CD GLN A 87 -13.983 10.608 -2.458 1.00 0.00 C ATOM 1412 OE1 GLN A 87 -14.732 10.841 -1.522 1.00 0.00 O ATOM 1413 NE2 GLN A 87 -13.385 11.549 -3.182 1.00 0.00 N ATOM 0 H GLN A 87 -14.991 6.170 -0.618 1.00 0.00 H new ATOM 0 HA GLN A 87 -14.628 6.771 -3.395 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -15.143 8.416 -1.535 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -13.494 8.210 -0.977 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -12.578 9.079 -3.041 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -14.125 8.974 -3.858 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -12.770 11.286 -3.952 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -13.541 12.534 -2.967 1.00 0.00 H new ATOM 1422 N VAL A 88 -12.108 5.691 -1.615 1.00 0.00 N ATOM 1423 CA VAL A 88 -10.748 5.187 -1.689 1.00 0.00 C ATOM 1424 C VAL A 88 -10.715 3.951 -2.589 1.00 0.00 C ATOM 1425 O VAL A 88 -9.844 3.827 -3.449 1.00 0.00 O ATOM 1426 CB VAL A 88 -10.213 4.915 -0.281 1.00 0.00 C ATOM 1427 CG1 VAL A 88 -8.754 4.458 -0.328 1.00 0.00 C ATOM 1428 CG2 VAL A 88 -10.374 6.146 0.613 1.00 0.00 C ATOM 0 H VAL A 88 -12.561 5.565 -0.710 1.00 0.00 H new ATOM 0 HA VAL A 88 -10.089 5.932 -2.135 1.00 0.00 H new ATOM 0 HB VAL A 88 -10.803 4.107 0.152 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.398 4.272 0.685 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -8.678 3.542 -0.913 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -8.144 5.235 -0.789 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.986 5.926 1.608 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.821 6.982 0.184 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -11.430 6.408 0.685 1.00 0.00 H new ATOM 1438 N LEU A 89 -11.675 3.066 -2.362 1.00 0.00 N ATOM 1439 CA LEU A 89 -11.767 1.844 -3.142 1.00 0.00 C ATOM 1440 C LEU A 89 -11.854 2.198 -4.628 1.00 0.00 C ATOM 1441 O LEU A 89 -11.116 1.648 -5.444 1.00 0.00 O ATOM 1442 CB LEU A 89 -12.929 0.979 -2.647 1.00 0.00 C ATOM 1443 CG LEU A 89 -12.793 0.423 -1.229 1.00 0.00 C ATOM 1444 CD1 LEU A 89 -14.094 -0.243 -0.775 1.00 0.00 C ATOM 1445 CD2 LEU A 89 -11.597 -0.526 -1.123 1.00 0.00 C ATOM 0 H LEU A 89 -12.396 3.171 -1.648 1.00 0.00 H new ATOM 0 HA LEU A 89 -10.870 1.239 -3.010 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -13.844 1.570 -2.698 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -13.051 0.142 -3.334 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.603 1.256 -0.553 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.971 -0.630 0.236 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -14.901 0.489 -0.787 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -14.338 -1.063 -1.450 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -11.524 -0.907 -0.104 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -11.731 -1.359 -1.813 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.683 0.011 -1.376 1.00 0.00 H new ATOM 1457 N ARG A 90 -12.761 3.114 -4.934 1.00 0.00 N ATOM 1458 CA ARG A 90 -12.953 3.547 -6.307 1.00 0.00 C ATOM 1459 C ARG A 90 -11.621 3.992 -6.915 1.00 0.00 C ATOM 1460 O ARG A 90 -11.461 3.994 -8.134 1.00 0.00 O ATOM 1461 CB ARG A 90 -13.952 4.703 -6.385 1.00 0.00 C ATOM 1462 CG ARG A 90 -15.303 4.225 -6.922 1.00 0.00 C ATOM 1463 CD ARG A 90 -16.054 3.408 -5.868 1.00 0.00 C ATOM 1464 NE ARG A 90 -16.996 2.476 -6.527 1.00 0.00 N ATOM 1465 CZ ARG A 90 -17.543 1.411 -5.926 1.00 0.00 C ATOM 1466 NH1 ARG A 90 -17.244 1.136 -4.649 1.00 0.00 N ATOM 1467 NH2 ARG A 90 -18.388 0.621 -6.602 1.00 0.00 N ATOM 0 H ARG A 90 -13.371 3.568 -4.254 1.00 0.00 H new ATOM 0 HA ARG A 90 -13.348 2.701 -6.869 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -14.084 5.141 -5.396 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -13.557 5.487 -7.031 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -15.905 5.084 -7.218 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -15.150 3.620 -7.815 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -15.346 2.850 -5.256 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -16.598 4.075 -5.199 1.00 0.00 H new ATOM 0 HE ARG A 90 -17.244 2.656 -7.500 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -16.600 1.737 -4.135 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -17.660 0.325 -4.191 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -18.615 0.830 -7.574 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -18.805 -0.190 -6.144 1.00 0.00 H new ATOM 1481 N GLU A 91 -10.699 4.358 -6.036 1.00 0.00 N ATOM 1482 CA GLU A 91 -9.386 4.803 -6.471 1.00 0.00 C ATOM 1483 C GLU A 91 -8.404 3.631 -6.478 1.00 0.00 C ATOM 1484 O GLU A 91 -7.592 3.502 -7.393 1.00 0.00 O ATOM 1485 CB GLU A 91 -8.874 5.943 -5.588 1.00 0.00 C ATOM 1486 CG GLU A 91 -9.901 7.073 -5.500 1.00 0.00 C ATOM 1487 CD GLU A 91 -9.509 8.242 -6.406 1.00 0.00 C ATOM 1488 OE1 GLU A 91 -8.678 9.058 -5.952 1.00 0.00 O ATOM 1489 OE2 GLU A 91 -10.050 8.294 -7.532 1.00 0.00 O ATOM 0 H GLU A 91 -10.835 4.355 -5.025 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.471 5.185 -7.488 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.658 5.565 -4.589 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -7.938 6.328 -5.992 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.884 6.699 -5.787 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.980 7.418 -4.469 1.00 0.00 H new ATOM 1496 N ALA A 92 -8.509 2.805 -5.447 1.00 0.00 N ATOM 1497 CA ALA A 92 -7.640 1.647 -5.324 1.00 0.00 C ATOM 1498 C ALA A 92 -7.612 0.892 -6.654 1.00 0.00 C ATOM 1499 O ALA A 92 -8.619 0.827 -7.357 1.00 0.00 O ATOM 1500 CB ALA A 92 -8.119 0.770 -4.165 1.00 0.00 C ATOM 0 H ALA A 92 -9.183 2.915 -4.689 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.619 1.955 -5.099 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.467 -0.099 -4.073 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.092 1.344 -3.239 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -9.140 0.439 -4.357 1.00 0.00 H new ATOM 1506 N ILE A 93 -6.447 0.339 -6.959 1.00 0.00 N ATOM 1507 CA ILE A 93 -6.274 -0.410 -8.192 1.00 0.00 C ATOM 1508 C ILE A 93 -5.452 -1.669 -7.909 1.00 0.00 C ATOM 1509 O ILE A 93 -4.413 -1.601 -7.254 1.00 0.00 O ATOM 1510 CB ILE A 93 -5.677 0.483 -9.282 1.00 0.00 C ATOM 1511 CG1 ILE A 93 -4.246 0.895 -8.929 1.00 0.00 C ATOM 1512 CG2 ILE A 93 -6.572 1.694 -9.551 1.00 0.00 C ATOM 1513 CD1 ILE A 93 -3.543 1.520 -10.136 1.00 0.00 C ATOM 0 H ILE A 93 -5.614 0.395 -6.373 1.00 0.00 H new ATOM 0 HA ILE A 93 -7.239 -0.740 -8.576 1.00 0.00 H new ATOM 0 HB ILE A 93 -5.629 -0.092 -10.207 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -4.262 1.607 -8.104 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -3.686 0.024 -8.588 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -6.124 2.312 -10.330 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -7.555 1.355 -9.878 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.675 2.280 -8.638 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.528 1.804 -9.859 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.508 0.797 -10.951 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -4.092 2.405 -10.459 1.00 0.00 H new ATOM 1525 N PRO A 94 -5.961 -2.817 -8.429 1.00 0.00 N ATOM 1526 CA PRO A 94 -5.285 -4.089 -8.239 1.00 0.00 C ATOM 1527 C PRO A 94 -4.048 -4.192 -9.133 1.00 0.00 C ATOM 1528 O PRO A 94 -4.128 -3.961 -10.339 1.00 0.00 O ATOM 1529 CB PRO A 94 -6.335 -5.143 -8.553 1.00 0.00 C ATOM 1530 CG PRO A 94 -7.414 -4.432 -9.353 1.00 0.00 C ATOM 1531 CD PRO A 94 -7.189 -2.935 -9.210 1.00 0.00 C ATOM 0 HA PRO A 94 -4.903 -4.215 -7.226 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -5.904 -5.966 -9.124 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -6.745 -5.570 -7.638 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -7.369 -4.727 -10.401 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -8.404 -4.706 -8.987 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -7.087 -2.455 -10.183 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -8.027 -2.455 -8.705 1.00 0.00 H new ATOM 1539 N LEU A 95 -2.933 -4.539 -8.508 1.00 0.00 N ATOM 1540 CA LEU A 95 -1.680 -4.675 -9.231 1.00 0.00 C ATOM 1541 C LEU A 95 -1.635 -6.045 -9.911 1.00 0.00 C ATOM 1542 O LEU A 95 -2.461 -6.910 -9.626 1.00 0.00 O ATOM 1543 CB LEU A 95 -0.493 -4.410 -8.303 1.00 0.00 C ATOM 1544 CG LEU A 95 0.825 -5.082 -8.691 1.00 0.00 C ATOM 1545 CD1 LEU A 95 1.901 -4.041 -9.004 1.00 0.00 C ATOM 1546 CD2 LEU A 95 1.277 -6.067 -7.611 1.00 0.00 C ATOM 0 H LEU A 95 -2.871 -4.730 -7.508 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.612 -3.925 -10.019 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.328 -3.334 -8.255 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.763 -4.737 -7.299 1.00 0.00 H new ATOM 0 HG LEU A 95 0.659 -5.657 -9.602 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.828 -4.546 -9.277 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.571 -3.415 -9.833 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.072 -3.419 -8.125 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.216 -6.531 -7.912 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.420 -5.535 -6.670 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.517 -6.838 -7.480 1.00 0.00 H new