USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 660 hydrogens (31 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 SER OG : rot -87:sc= 1.56 USER MOD Set 1.2: A 48 THR OG1 : rot 81:sc= 0.00912 USER MOD Set 2.1: A 1 MET N :NH3+ -172:sc= 0.197 (180deg=0.129) USER MOD Set 2.2: A 6 THR OG1 : rot 150:sc= -0.335 USER MOD Set 3.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 3 THR OG1 : rot 45:sc= 0.216 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.114 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0107 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0646 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot -129:sc= -3.06! USER MOD Single : A 46 MET CE :methyl 142:sc= -0.42 (180deg=-2.81!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot -179:sc= 0.178 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -140:sc= -1.34 USER MOD Single : A 79 ASN : amide:sc= 0.0267 X(o=0.027,f=-0.16) USER MOD Single : A 87 SXH O33 : rot 26:sc= 0.915 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.962 -12.928 -1.305 1.00 5.89 N ATOM 2 CA MET A 1 7.298 -13.627 -0.199 1.00 5.39 C ATOM 3 C MET A 1 7.789 -13.175 1.179 1.00 4.66 C ATOM 4 O MET A 1 7.167 -12.315 1.799 1.00 4.91 O ATOM 5 CB MET A 1 7.245 -15.181 -0.407 1.00 5.72 C ATOM 6 CG MET A 1 8.497 -15.882 -0.971 1.00 6.12 C ATOM 7 SD MET A 1 9.918 -15.954 0.145 1.00 6.79 S ATOM 8 CE MET A 1 11.115 -16.774 -0.908 1.00 7.46 C ATOM 0 H1 MET A 1 7.496 -13.175 -2.201 1.00 5.89 H new ATOM 0 H2 MET A 1 7.899 -11.901 -1.154 1.00 5.89 H new ATOM 0 H3 MET A 1 8.962 -13.212 -1.345 1.00 5.89 H new ATOM 0 HA MET A 1 6.253 -13.318 -0.218 1.00 5.39 H new ATOM 0 HB2 MET A 1 7.012 -15.638 0.555 1.00 5.72 H new ATOM 0 HB3 MET A 1 6.411 -15.400 -1.074 1.00 5.72 H new ATOM 0 HG2 MET A 1 8.226 -16.900 -1.253 1.00 6.12 H new ATOM 0 HG3 MET A 1 8.799 -15.368 -1.884 1.00 6.12 H new ATOM 0 HE1 MET A 1 12.053 -16.896 -0.366 1.00 7.46 H new ATOM 0 HE2 MET A 1 10.734 -17.753 -1.198 1.00 7.46 H new ATOM 0 HE3 MET A 1 11.287 -16.172 -1.801 1.00 7.46 H new ATOM 20 N ALA A 2 8.861 -13.735 1.662 1.00 4.17 N ATOM 21 CA ALA A 2 9.472 -13.277 2.890 1.00 3.77 C ATOM 22 C ALA A 2 10.530 -12.281 2.491 1.00 2.58 C ATOM 23 O ALA A 2 10.667 -11.211 3.076 1.00 2.61 O ATOM 24 CB ALA A 2 10.083 -14.444 3.651 1.00 4.69 C ATOM 0 H ALA A 2 9.340 -14.521 1.222 1.00 4.17 H new ATOM 0 HA ALA A 2 8.737 -12.821 3.553 1.00 3.77 H new ATOM 0 HB1 ALA A 2 10.538 -14.080 4.572 1.00 4.69 H new ATOM 0 HB2 ALA A 2 9.305 -15.168 3.892 1.00 4.69 H new ATOM 0 HB3 ALA A 2 10.845 -14.922 3.035 1.00 4.69 H new ATOM 30 N THR A 3 11.251 -12.641 1.460 1.00 2.17 N ATOM 31 CA THR A 3 12.188 -11.781 0.853 1.00 1.65 C ATOM 32 C THR A 3 11.419 -10.878 -0.106 1.00 1.51 C ATOM 33 O THR A 3 10.914 -11.334 -1.139 1.00 2.34 O ATOM 34 CB THR A 3 13.226 -12.644 0.110 1.00 2.61 C ATOM 35 OG1 THR A 3 12.555 -13.717 -0.591 1.00 3.14 O ATOM 36 CG2 THR A 3 14.215 -13.239 1.096 1.00 3.14 C ATOM 0 H THR A 3 11.189 -13.561 1.024 1.00 2.17 H new ATOM 0 HA THR A 3 12.717 -11.164 1.579 1.00 1.65 H new ATOM 0 HB THR A 3 13.760 -12.014 -0.601 1.00 2.61 H new ATOM 0 HG1 THR A 3 11.768 -13.363 -1.055 1.00 3.14 H new ATOM 0 HG21 THR A 3 14.943 -13.847 0.559 1.00 3.14 H new ATOM 0 HG22 THR A 3 14.730 -12.436 1.623 1.00 3.14 H new ATOM 0 HG23 THR A 3 13.682 -13.862 1.815 1.00 3.14 H new ATOM 44 N LEU A 4 11.259 -9.632 0.293 1.00 1.02 N ATOM 45 CA LEU A 4 10.498 -8.630 -0.428 1.00 0.89 C ATOM 46 C LEU A 4 8.979 -8.834 -0.338 1.00 0.82 C ATOM 47 O LEU A 4 8.440 -9.954 -0.515 1.00 1.00 O ATOM 48 CB LEU A 4 10.961 -8.388 -1.894 1.00 0.93 C ATOM 49 CG LEU A 4 12.347 -7.732 -2.102 1.00 1.05 C ATOM 50 CD1 LEU A 4 13.489 -8.652 -1.718 1.00 1.31 C ATOM 51 CD2 LEU A 4 12.508 -7.253 -3.531 1.00 1.09 C ATOM 0 H LEU A 4 11.669 -9.277 1.157 1.00 1.02 H new ATOM 0 HA LEU A 4 10.729 -7.708 0.105 1.00 0.89 H new ATOM 0 HB2 LEU A 4 10.961 -9.348 -2.410 1.00 0.93 H new ATOM 0 HB3 LEU A 4 10.215 -7.763 -2.384 1.00 0.93 H new ATOM 0 HG LEU A 4 12.390 -6.872 -1.434 1.00 1.05 H new ATOM 0 HD11 LEU A 4 14.438 -8.142 -1.883 1.00 1.31 H new ATOM 0 HD12 LEU A 4 13.401 -8.922 -0.666 1.00 1.31 H new ATOM 0 HD13 LEU A 4 13.450 -9.554 -2.328 1.00 1.31 H new ATOM 0 HD21 LEU A 4 13.490 -6.796 -3.653 1.00 1.09 H new ATOM 0 HD22 LEU A 4 12.415 -8.100 -4.211 1.00 1.09 H new ATOM 0 HD23 LEU A 4 11.735 -6.519 -3.758 1.00 1.09 H new ATOM 63 N LEU A 5 8.321 -7.731 -0.017 1.00 0.69 N ATOM 64 CA LEU A 5 6.873 -7.610 0.087 1.00 0.62 C ATOM 65 C LEU A 5 6.226 -8.087 -1.214 1.00 0.51 C ATOM 66 O LEU A 5 6.606 -7.626 -2.298 1.00 0.50 O ATOM 67 CB LEU A 5 6.547 -6.121 0.248 1.00 0.64 C ATOM 68 CG LEU A 5 5.089 -5.718 0.476 1.00 0.71 C ATOM 69 CD1 LEU A 5 4.664 -6.021 1.875 1.00 1.14 C ATOM 70 CD2 LEU A 5 4.885 -4.250 0.181 1.00 1.01 C ATOM 0 H LEU A 5 8.803 -6.855 0.188 1.00 0.69 H new ATOM 0 HA LEU A 5 6.505 -8.202 0.925 1.00 0.62 H new ATOM 0 HB2 LEU A 5 7.132 -5.741 1.086 1.00 0.64 H new ATOM 0 HB3 LEU A 5 6.899 -5.605 -0.646 1.00 0.64 H new ATOM 0 HG LEU A 5 4.473 -6.301 -0.208 1.00 0.71 H new ATOM 0 HD11 LEU A 5 3.624 -5.725 2.011 1.00 1.14 H new ATOM 0 HD12 LEU A 5 4.765 -7.090 2.062 1.00 1.14 H new ATOM 0 HD13 LEU A 5 5.293 -5.469 2.574 1.00 1.14 H new ATOM 0 HD21 LEU A 5 3.841 -3.987 0.350 1.00 1.01 H new ATOM 0 HD22 LEU A 5 5.520 -3.655 0.837 1.00 1.01 H new ATOM 0 HD23 LEU A 5 5.147 -4.048 -0.858 1.00 1.01 H new ATOM 82 N THR A 6 5.294 -8.995 -1.113 1.00 0.53 N ATOM 83 CA THR A 6 4.569 -9.463 -2.264 1.00 0.54 C ATOM 84 C THR A 6 3.060 -9.300 -2.079 1.00 0.47 C ATOM 85 O THR A 6 2.628 -8.651 -1.115 1.00 0.45 O ATOM 86 CB THR A 6 4.948 -10.903 -2.641 1.00 0.74 C ATOM 87 OG1 THR A 6 4.984 -11.729 -1.453 1.00 0.84 O ATOM 88 CG2 THR A 6 6.291 -10.935 -3.356 1.00 1.01 C ATOM 0 H THR A 6 5.016 -9.431 -0.234 1.00 0.53 H new ATOM 0 HA THR A 6 4.863 -8.834 -3.104 1.00 0.54 H new ATOM 0 HB THR A 6 4.194 -11.298 -3.322 1.00 0.74 H new ATOM 0 HG1 THR A 6 4.746 -12.650 -1.688 1.00 0.84 H new ATOM 0 HG21 THR A 6 6.541 -11.964 -3.614 1.00 1.01 H new ATOM 0 HG22 THR A 6 6.234 -10.336 -4.265 1.00 1.01 H new ATOM 0 HG23 THR A 6 7.062 -10.528 -2.701 1.00 1.01 H new ATOM 96 N THR A 7 2.283 -9.912 -2.970 1.00 0.53 N ATOM 97 CA THR A 7 0.835 -9.811 -3.032 1.00 0.55 C ATOM 98 C THR A 7 0.167 -10.055 -1.664 1.00 0.49 C ATOM 99 O THR A 7 -0.590 -9.209 -1.180 1.00 0.47 O ATOM 100 CB THR A 7 0.355 -10.883 -4.007 1.00 0.73 C ATOM 101 OG1 THR A 7 1.319 -10.980 -5.072 1.00 0.83 O ATOM 102 CG2 THR A 7 -0.999 -10.503 -4.595 1.00 0.95 C ATOM 0 H THR A 7 2.666 -10.516 -3.697 1.00 0.53 H new ATOM 0 HA THR A 7 0.565 -8.803 -3.348 1.00 0.55 H new ATOM 0 HB THR A 7 0.252 -11.834 -3.484 1.00 0.73 H new ATOM 0 HG1 THR A 7 1.032 -11.665 -5.711 1.00 0.83 H new ATOM 0 HG21 THR A 7 -1.325 -11.279 -5.288 1.00 0.95 H new ATOM 0 HG22 THR A 7 -1.729 -10.403 -3.792 1.00 0.95 H new ATOM 0 HG23 THR A 7 -0.912 -9.555 -5.126 1.00 0.95 H new ATOM 110 N ASP A 8 0.444 -11.198 -1.051 1.00 0.57 N ATOM 111 CA ASP A 8 -0.187 -11.550 0.232 1.00 0.61 C ATOM 112 C ASP A 8 0.207 -10.595 1.335 1.00 0.54 C ATOM 113 O ASP A 8 -0.644 -10.115 2.086 1.00 0.53 O ATOM 114 CB ASP A 8 0.145 -12.986 0.648 1.00 0.81 C ATOM 115 CG ASP A 8 -0.358 -13.341 2.044 1.00 1.41 C ATOM 116 OD1 ASP A 8 -1.543 -13.697 2.202 1.00 1.86 O ATOM 117 OD2 ASP A 8 0.440 -13.293 3.007 1.00 2.14 O ATOM 0 H ASP A 8 1.094 -11.897 -1.410 1.00 0.57 H new ATOM 0 HA ASP A 8 -1.263 -11.471 0.077 1.00 0.61 H new ATOM 0 HB2 ASP A 8 -0.291 -13.676 -0.074 1.00 0.81 H new ATOM 0 HB3 ASP A 8 1.225 -13.127 0.612 1.00 0.81 H new ATOM 122 N ASP A 9 1.483 -10.271 1.389 1.00 0.55 N ATOM 123 CA ASP A 9 2.013 -9.441 2.467 1.00 0.57 C ATOM 124 C ASP A 9 1.458 -8.015 2.369 1.00 0.50 C ATOM 125 O ASP A 9 1.011 -7.433 3.366 1.00 0.57 O ATOM 126 CB ASP A 9 3.543 -9.392 2.442 1.00 0.65 C ATOM 127 CG ASP A 9 4.113 -9.005 3.800 1.00 1.13 C ATOM 128 OD1 ASP A 9 3.906 -7.865 4.248 1.00 1.61 O ATOM 129 OD2 ASP A 9 4.747 -9.866 4.470 1.00 1.61 O ATOM 0 H ASP A 9 2.177 -10.567 0.702 1.00 0.55 H new ATOM 0 HA ASP A 9 1.698 -9.893 3.407 1.00 0.57 H new ATOM 0 HB2 ASP A 9 3.934 -10.366 2.147 1.00 0.65 H new ATOM 0 HB3 ASP A 9 3.873 -8.675 1.690 1.00 0.65 H new ATOM 134 N LEU A 10 1.441 -7.477 1.147 1.00 0.43 N ATOM 135 CA LEU A 10 0.936 -6.132 0.899 1.00 0.43 C ATOM 136 C LEU A 10 -0.553 -6.073 1.182 1.00 0.41 C ATOM 137 O LEU A 10 -1.037 -5.099 1.761 1.00 0.47 O ATOM 138 CB LEU A 10 1.248 -5.680 -0.546 1.00 0.46 C ATOM 139 CG LEU A 10 0.691 -4.306 -0.990 1.00 0.57 C ATOM 140 CD1 LEU A 10 1.177 -3.178 -0.087 1.00 0.88 C ATOM 141 CD2 LEU A 10 1.085 -4.022 -2.431 1.00 0.79 C ATOM 0 H LEU A 10 1.774 -7.959 0.312 1.00 0.43 H new ATOM 0 HA LEU A 10 1.442 -5.442 1.574 1.00 0.43 H new ATOM 0 HB2 LEU A 10 2.331 -5.662 -0.668 1.00 0.46 H new ATOM 0 HB3 LEU A 10 0.863 -6.438 -1.228 1.00 0.46 H new ATOM 0 HG LEU A 10 -0.395 -4.351 -0.911 1.00 0.57 H new ATOM 0 HD11 LEU A 10 0.763 -2.231 -0.433 1.00 0.88 H new ATOM 0 HD12 LEU A 10 0.850 -3.364 0.936 1.00 0.88 H new ATOM 0 HD13 LEU A 10 2.266 -3.131 -0.117 1.00 0.88 H new ATOM 0 HD21 LEU A 10 0.688 -3.053 -2.733 1.00 0.79 H new ATOM 0 HD22 LEU A 10 2.172 -4.011 -2.516 1.00 0.79 H new ATOM 0 HD23 LEU A 10 0.678 -4.798 -3.079 1.00 0.79 H new ATOM 153 N ARG A 11 -1.268 -7.126 0.784 1.00 0.39 N ATOM 154 CA ARG A 11 -2.695 -7.250 1.061 1.00 0.44 C ATOM 155 C ARG A 11 -2.978 -7.047 2.533 1.00 0.44 C ATOM 156 O ARG A 11 -3.849 -6.265 2.890 1.00 0.48 O ATOM 157 CB ARG A 11 -3.215 -8.615 0.649 1.00 0.52 C ATOM 158 CG ARG A 11 -4.679 -8.835 0.978 1.00 0.70 C ATOM 159 CD ARG A 11 -5.143 -10.219 0.595 1.00 0.85 C ATOM 160 NE ARG A 11 -4.379 -11.279 1.252 1.00 1.22 N ATOM 161 CZ ARG A 11 -4.923 -12.222 2.024 1.00 1.67 C ATOM 162 NH1 ARG A 11 -6.205 -12.120 2.396 1.00 2.17 N ATOM 163 NH2 ARG A 11 -4.175 -13.231 2.468 1.00 2.23 N ATOM 0 H ARG A 11 -0.875 -7.911 0.264 1.00 0.39 H new ATOM 0 HA ARG A 11 -3.203 -6.479 0.481 1.00 0.44 H new ATOM 0 HB2 ARG A 11 -3.070 -8.740 -0.424 1.00 0.52 H new ATOM 0 HB3 ARG A 11 -2.621 -9.384 1.143 1.00 0.52 H new ATOM 0 HG2 ARG A 11 -4.838 -8.682 2.045 1.00 0.70 H new ATOM 0 HG3 ARG A 11 -5.283 -8.093 0.456 1.00 0.70 H new ATOM 0 HD2 ARG A 11 -6.197 -10.327 0.850 1.00 0.85 H new ATOM 0 HD3 ARG A 11 -5.063 -10.337 -0.486 1.00 0.85 H new ATOM 0 HE ARG A 11 -3.369 -11.299 1.112 1.00 1.22 H new ATOM 0 HH11 ARG A 11 -6.763 -11.323 2.089 1.00 2.17 H new ATOM 0 HH12 ARG A 11 -6.624 -12.839 2.986 1.00 2.17 H new ATOM 0 HH21 ARG A 11 -3.187 -13.282 2.218 1.00 2.23 H new ATOM 0 HH22 ARG A 11 -4.590 -13.952 3.058 1.00 2.23 H new ATOM 177 N ARG A 12 -2.221 -7.758 3.371 1.00 0.47 N ATOM 178 CA ARG A 12 -2.388 -7.702 4.817 1.00 0.54 C ATOM 179 C ARG A 12 -2.235 -6.277 5.311 1.00 0.54 C ATOM 180 O ARG A 12 -3.084 -5.776 6.035 1.00 0.62 O ATOM 181 CB ARG A 12 -1.364 -8.581 5.533 1.00 0.64 C ATOM 182 CG ARG A 12 -1.334 -10.034 5.108 1.00 1.04 C ATOM 183 CD ARG A 12 -0.297 -10.782 5.917 1.00 1.27 C ATOM 184 NE ARG A 12 -0.044 -12.135 5.426 1.00 1.78 N ATOM 185 CZ ARG A 12 0.115 -13.206 6.197 1.00 2.34 C ATOM 186 NH1 ARG A 12 -0.294 -13.191 7.465 1.00 2.59 N ATOM 187 NH2 ARG A 12 0.590 -14.323 5.658 1.00 3.25 N ATOM 0 H ARG A 12 -1.478 -8.386 3.063 1.00 0.47 H new ATOM 0 HA ARG A 12 -3.389 -8.071 5.041 1.00 0.54 H new ATOM 0 HB2 ARG A 12 -0.373 -8.155 5.375 1.00 0.64 H new ATOM 0 HB3 ARG A 12 -1.562 -8.539 6.604 1.00 0.64 H new ATOM 0 HG2 ARG A 12 -2.316 -10.485 5.252 1.00 1.04 H new ATOM 0 HG3 ARG A 12 -1.102 -10.107 4.045 1.00 1.04 H new ATOM 0 HD2 ARG A 12 0.636 -10.219 5.907 1.00 1.27 H new ATOM 0 HD3 ARG A 12 -0.626 -10.835 6.955 1.00 1.27 H new ATOM 0 HE ARG A 12 0.015 -12.267 4.416 1.00 1.78 H new ATOM 0 HH11 ARG A 12 -0.732 -12.354 7.850 1.00 2.59 H new ATOM 0 HH12 ARG A 12 -0.169 -14.016 8.051 1.00 2.59 H new ATOM 0 HH21 ARG A 12 0.827 -14.350 4.666 1.00 3.25 H new ATOM 0 HH22 ARG A 12 0.718 -15.154 6.236 1.00 3.25 H new ATOM 201 N ALA A 13 -1.177 -5.620 4.854 1.00 0.52 N ATOM 202 CA ALA A 13 -0.856 -4.267 5.274 1.00 0.59 C ATOM 203 C ALA A 13 -1.933 -3.283 4.845 1.00 0.59 C ATOM 204 O ALA A 13 -2.300 -2.386 5.601 1.00 0.69 O ATOM 205 CB ALA A 13 0.496 -3.851 4.722 1.00 0.66 C ATOM 0 H ALA A 13 -0.518 -6.012 4.181 1.00 0.52 H new ATOM 0 HA ALA A 13 -0.811 -4.255 6.363 1.00 0.59 H new ATOM 0 HB1 ALA A 13 0.724 -2.835 5.045 1.00 0.66 H new ATOM 0 HB2 ALA A 13 1.264 -4.530 5.092 1.00 0.66 H new ATOM 0 HB3 ALA A 13 0.472 -3.889 3.633 1.00 0.66 H new ATOM 211 N LEU A 14 -2.432 -3.457 3.635 1.00 0.52 N ATOM 212 CA LEU A 14 -3.497 -2.622 3.101 1.00 0.55 C ATOM 213 C LEU A 14 -4.800 -2.834 3.869 1.00 0.58 C ATOM 214 O LEU A 14 -5.459 -1.860 4.306 1.00 0.68 O ATOM 215 CB LEU A 14 -3.722 -2.923 1.611 1.00 0.52 C ATOM 216 CG LEU A 14 -2.648 -2.447 0.632 1.00 0.56 C ATOM 217 CD1 LEU A 14 -2.931 -3.011 -0.742 1.00 1.30 C ATOM 218 CD2 LEU A 14 -2.639 -0.930 0.553 1.00 1.05 C ATOM 0 H LEU A 14 -2.111 -4.181 2.993 1.00 0.52 H new ATOM 0 HA LEU A 14 -3.191 -1.582 3.215 1.00 0.55 H new ATOM 0 HB2 LEU A 14 -3.829 -4.002 1.497 1.00 0.52 H new ATOM 0 HB3 LEU A 14 -4.671 -2.475 1.315 1.00 0.52 H new ATOM 0 HG LEU A 14 -1.676 -2.793 0.985 1.00 0.56 H new ATOM 0 HD11 LEU A 14 -2.165 -2.671 -1.439 1.00 1.30 H new ATOM 0 HD12 LEU A 14 -2.924 -4.100 -0.697 1.00 1.30 H new ATOM 0 HD13 LEU A 14 -3.909 -2.669 -1.082 1.00 1.30 H new ATOM 0 HD21 LEU A 14 -1.869 -0.607 -0.148 1.00 1.05 H new ATOM 0 HD22 LEU A 14 -3.612 -0.578 0.211 1.00 1.05 H new ATOM 0 HD23 LEU A 14 -2.429 -0.516 1.539 1.00 1.05 H new ATOM 230 N VAL A 15 -5.172 -4.090 4.039 1.00 0.57 N ATOM 231 CA VAL A 15 -6.420 -4.454 4.685 1.00 0.66 C ATOM 232 C VAL A 15 -6.430 -4.087 6.201 1.00 0.72 C ATOM 233 O VAL A 15 -7.478 -4.063 6.853 1.00 0.91 O ATOM 234 CB VAL A 15 -6.854 -5.944 4.401 1.00 0.70 C ATOM 235 CG1 VAL A 15 -6.008 -6.944 5.152 1.00 0.88 C ATOM 236 CG2 VAL A 15 -8.333 -6.158 4.663 1.00 1.01 C ATOM 0 H VAL A 15 -4.616 -4.888 3.732 1.00 0.57 H new ATOM 0 HA VAL A 15 -7.193 -3.841 4.221 1.00 0.66 H new ATOM 0 HB VAL A 15 -6.680 -6.120 3.340 1.00 0.70 H new ATOM 0 HG11 VAL A 15 -6.348 -7.954 4.922 1.00 0.88 H new ATOM 0 HG12 VAL A 15 -4.965 -6.835 4.854 1.00 0.88 H new ATOM 0 HG13 VAL A 15 -6.099 -6.766 6.223 1.00 0.88 H new ATOM 0 HG21 VAL A 15 -8.593 -7.196 4.456 1.00 1.01 H new ATOM 0 HG22 VAL A 15 -8.555 -5.929 5.705 1.00 1.01 H new ATOM 0 HG23 VAL A 15 -8.916 -5.502 4.016 1.00 1.01 H new ATOM 246 N GLU A 16 -5.244 -3.807 6.761 1.00 0.66 N ATOM 247 CA GLU A 16 -5.158 -3.321 8.135 1.00 0.79 C ATOM 248 C GLU A 16 -5.806 -1.944 8.268 1.00 0.83 C ATOM 249 O GLU A 16 -6.350 -1.605 9.319 1.00 0.98 O ATOM 250 CB GLU A 16 -3.726 -3.299 8.670 1.00 0.94 C ATOM 251 CG GLU A 16 -3.126 -4.674 8.902 1.00 1.08 C ATOM 252 CD GLU A 16 -1.772 -4.606 9.551 1.00 1.28 C ATOM 253 OE1 GLU A 16 -1.683 -4.414 10.774 1.00 1.49 O ATOM 254 OE2 GLU A 16 -0.761 -4.766 8.843 1.00 1.71 O ATOM 0 H GLU A 16 -4.346 -3.909 6.287 1.00 0.66 H new ATOM 0 HA GLU A 16 -5.711 -4.032 8.749 1.00 0.79 H new ATOM 0 HB2 GLU A 16 -3.096 -2.754 7.967 1.00 0.94 H new ATOM 0 HB3 GLU A 16 -3.709 -2.745 9.608 1.00 0.94 H new ATOM 0 HG2 GLU A 16 -3.798 -5.259 9.530 1.00 1.08 H new ATOM 0 HG3 GLU A 16 -3.043 -5.197 7.949 1.00 1.08 H new ATOM 261 N SER A 17 -5.743 -1.148 7.215 1.00 0.77 N ATOM 262 CA SER A 17 -6.453 0.113 7.202 1.00 0.91 C ATOM 263 C SER A 17 -7.899 -0.106 6.789 1.00 0.95 C ATOM 264 O SER A 17 -8.816 0.120 7.578 1.00 1.24 O ATOM 265 CB SER A 17 -5.774 1.140 6.297 1.00 0.98 C ATOM 266 OG SER A 17 -4.554 1.586 6.865 1.00 1.24 O ATOM 0 H SER A 17 -5.213 -1.352 6.368 1.00 0.77 H new ATOM 0 HA SER A 17 -6.433 0.519 8.213 1.00 0.91 H new ATOM 0 HB2 SER A 17 -5.585 0.699 5.318 1.00 0.98 H new ATOM 0 HB3 SER A 17 -6.439 1.989 6.141 1.00 0.98 H new ATOM 0 HG SER A 17 -4.729 2.339 7.467 1.00 1.24 H new ATOM 272 N ALA A 18 -8.096 -0.581 5.574 1.00 0.83 N ATOM 273 CA ALA A 18 -9.424 -0.824 5.067 1.00 0.94 C ATOM 274 C ALA A 18 -9.948 -2.132 5.589 1.00 1.41 C ATOM 275 O ALA A 18 -9.643 -3.187 5.056 1.00 2.05 O ATOM 276 CB ALA A 18 -9.453 -0.805 3.557 1.00 1.05 C ATOM 0 H ALA A 18 -7.346 -0.806 4.920 1.00 0.83 H new ATOM 0 HA ALA A 18 -10.070 -0.019 5.418 1.00 0.94 H new ATOM 0 HB1 ALA A 18 -10.469 -0.992 3.210 1.00 1.05 H new ATOM 0 HB2 ALA A 18 -9.121 0.169 3.199 1.00 1.05 H new ATOM 0 HB3 ALA A 18 -8.790 -1.579 3.171 1.00 1.05 H new ATOM 282 N GLY A 19 -10.675 -2.062 6.660 1.00 1.80 N ATOM 283 CA GLY A 19 -11.250 -3.241 7.236 1.00 2.47 C ATOM 284 C GLY A 19 -12.668 -3.382 6.794 1.00 2.48 C ATOM 285 O GLY A 19 -13.276 -4.455 6.897 1.00 3.01 O ATOM 0 H GLY A 19 -10.886 -1.197 7.157 1.00 1.80 H new ATOM 0 HA2 GLY A 19 -10.678 -4.119 6.937 1.00 2.47 H new ATOM 0 HA3 GLY A 19 -11.203 -3.185 8.324 1.00 2.47 H new ATOM 289 N GLU A 20 -13.197 -2.290 6.316 1.00 2.56 N ATOM 290 CA GLU A 20 -14.502 -2.230 5.767 1.00 2.99 C ATOM 291 C GLU A 20 -14.381 -2.391 4.264 1.00 3.37 C ATOM 292 O GLU A 20 -13.400 -1.943 3.667 1.00 3.90 O ATOM 293 CB GLU A 20 -15.212 -0.902 6.127 1.00 3.57 C ATOM 294 CG GLU A 20 -14.456 0.390 5.767 1.00 4.14 C ATOM 295 CD GLU A 20 -13.359 0.748 6.748 1.00 4.54 C ATOM 296 OE1 GLU A 20 -12.205 0.305 6.585 1.00 4.96 O ATOM 297 OE2 GLU A 20 -13.636 1.490 7.711 1.00 4.80 O ATOM 0 H GLU A 20 -12.708 -1.395 6.302 1.00 2.56 H new ATOM 0 HA GLU A 20 -15.113 -3.030 6.186 1.00 2.99 H new ATOM 0 HB2 GLU A 20 -16.180 -0.884 5.626 1.00 3.57 H new ATOM 0 HB3 GLU A 20 -15.408 -0.897 7.199 1.00 3.57 H new ATOM 0 HG2 GLU A 20 -14.021 0.281 4.773 1.00 4.14 H new ATOM 0 HG3 GLU A 20 -15.168 1.214 5.715 1.00 4.14 H new ATOM 304 N THR A 21 -15.347 -2.999 3.651 1.00 3.68 N ATOM 305 CA THR A 21 -15.276 -3.261 2.249 1.00 4.48 C ATOM 306 C THR A 21 -15.991 -2.178 1.438 1.00 4.44 C ATOM 307 O THR A 21 -16.852 -2.454 0.596 1.00 4.98 O ATOM 308 CB THR A 21 -15.789 -4.683 1.927 1.00 5.48 C ATOM 309 OG1 THR A 21 -17.013 -4.950 2.656 1.00 5.80 O ATOM 310 CG2 THR A 21 -14.743 -5.719 2.305 1.00 6.23 C ATOM 0 H THR A 21 -16.201 -3.325 4.104 1.00 3.68 H new ATOM 0 HA THR A 21 -14.229 -3.225 1.949 1.00 4.48 H new ATOM 0 HB THR A 21 -15.985 -4.743 0.856 1.00 5.48 H new ATOM 0 HG1 THR A 21 -17.330 -5.853 2.443 1.00 5.80 H new ATOM 0 HG21 THR A 21 -15.118 -6.716 2.073 1.00 6.23 H new ATOM 0 HG22 THR A 21 -13.828 -5.535 1.742 1.00 6.23 H new ATOM 0 HG23 THR A 21 -14.532 -5.650 3.372 1.00 6.23 H new ATOM 318 N ASP A 22 -15.622 -0.936 1.700 1.00 4.14 N ATOM 319 CA ASP A 22 -16.181 0.197 0.986 1.00 4.35 C ATOM 320 C ASP A 22 -15.356 0.504 -0.232 1.00 4.02 C ATOM 321 O ASP A 22 -14.353 1.215 -0.169 1.00 4.29 O ATOM 322 CB ASP A 22 -16.334 1.442 1.868 1.00 4.92 C ATOM 323 CG ASP A 22 -17.483 1.342 2.838 1.00 5.42 C ATOM 324 OD1 ASP A 22 -18.626 1.657 2.468 1.00 5.81 O ATOM 325 OD2 ASP A 22 -17.262 0.926 3.995 1.00 5.76 O ATOM 0 H ASP A 22 -14.932 -0.686 2.408 1.00 4.14 H new ATOM 0 HA ASP A 22 -17.187 -0.087 0.677 1.00 4.35 H new ATOM 0 HB2 ASP A 22 -15.410 1.602 2.424 1.00 4.92 H new ATOM 0 HB3 ASP A 22 -16.478 2.315 1.232 1.00 4.92 H new ATOM 330 N GLY A 23 -15.770 -0.047 -1.326 1.00 3.87 N ATOM 331 CA GLY A 23 -15.068 0.079 -2.564 1.00 3.86 C ATOM 332 C GLY A 23 -15.104 -1.231 -3.273 1.00 3.70 C ATOM 333 O GLY A 23 -15.426 -1.305 -4.455 1.00 4.24 O ATOM 0 H GLY A 23 -16.620 -0.607 -1.387 1.00 3.87 H new ATOM 0 HA2 GLY A 23 -15.525 0.854 -3.180 1.00 3.86 H new ATOM 0 HA3 GLY A 23 -14.037 0.382 -2.384 1.00 3.86 H new ATOM 337 N THR A 24 -14.790 -2.264 -2.524 1.00 3.36 N ATOM 338 CA THR A 24 -14.822 -3.633 -2.954 1.00 3.53 C ATOM 339 C THR A 24 -14.216 -4.455 -1.818 1.00 2.73 C ATOM 340 O THR A 24 -13.930 -3.890 -0.751 1.00 3.11 O ATOM 341 CB THR A 24 -14.045 -3.874 -4.308 1.00 4.59 C ATOM 342 OG1 THR A 24 -14.295 -5.194 -4.812 1.00 5.10 O ATOM 343 CG2 THR A 24 -12.535 -3.668 -4.146 1.00 5.14 C ATOM 0 H THR A 24 -14.492 -2.161 -1.554 1.00 3.36 H new ATOM 0 HA THR A 24 -15.850 -3.930 -3.164 1.00 3.53 H new ATOM 0 HB THR A 24 -14.417 -3.137 -5.020 1.00 4.59 H new ATOM 0 HG1 THR A 24 -13.806 -5.322 -5.652 1.00 5.10 H new ATOM 0 HG21 THR A 24 -12.039 -3.844 -5.101 1.00 5.14 H new ATOM 0 HG22 THR A 24 -12.340 -2.647 -3.819 1.00 5.14 H new ATOM 0 HG23 THR A 24 -12.150 -4.367 -3.403 1.00 5.14 H new ATOM 351 N ASP A 25 -14.006 -5.730 -2.019 1.00 2.22 N ATOM 352 CA ASP A 25 -13.351 -6.541 -1.012 1.00 2.06 C ATOM 353 C ASP A 25 -11.875 -6.577 -1.300 1.00 1.66 C ATOM 354 O ASP A 25 -11.437 -7.177 -2.294 1.00 1.97 O ATOM 355 CB ASP A 25 -13.929 -7.968 -0.947 1.00 2.79 C ATOM 356 CG ASP A 25 -13.209 -8.851 0.074 1.00 3.18 C ATOM 357 OD1 ASP A 25 -12.784 -8.342 1.120 1.00 3.73 O ATOM 358 OD2 ASP A 25 -13.098 -10.086 -0.149 1.00 3.49 O ATOM 0 H ASP A 25 -14.276 -6.232 -2.865 1.00 2.22 H new ATOM 0 HA ASP A 25 -13.529 -6.090 -0.036 1.00 2.06 H new ATOM 0 HB2 ASP A 25 -14.988 -7.915 -0.693 1.00 2.79 H new ATOM 0 HB3 ASP A 25 -13.860 -8.429 -1.932 1.00 2.79 H new ATOM 363 N LEU A 26 -11.110 -5.892 -0.482 1.00 1.45 N ATOM 364 CA LEU A 26 -9.679 -5.833 -0.645 1.00 1.10 C ATOM 365 C LEU A 26 -9.118 -7.177 -0.219 1.00 1.10 C ATOM 366 O LEU A 26 -8.927 -7.443 0.979 1.00 1.60 O ATOM 367 CB LEU A 26 -9.088 -4.669 0.200 1.00 0.99 C ATOM 368 CG LEU A 26 -7.653 -4.175 -0.137 1.00 1.10 C ATOM 369 CD1 LEU A 26 -6.571 -5.224 0.109 1.00 1.49 C ATOM 370 CD2 LEU A 26 -7.595 -3.667 -1.566 1.00 1.62 C ATOM 0 H LEU A 26 -11.463 -5.361 0.314 1.00 1.45 H new ATOM 0 HA LEU A 26 -9.410 -5.636 -1.683 1.00 1.10 H new ATOM 0 HB2 LEU A 26 -9.763 -3.818 0.113 1.00 0.99 H new ATOM 0 HB3 LEU A 26 -9.098 -4.978 1.245 1.00 0.99 H new ATOM 0 HG LEU A 26 -7.438 -3.357 0.551 1.00 1.10 H new ATOM 0 HD11 LEU A 26 -5.597 -4.809 -0.148 1.00 1.49 H new ATOM 0 HD12 LEU A 26 -6.577 -5.513 1.160 1.00 1.49 H new ATOM 0 HD13 LEU A 26 -6.766 -6.100 -0.509 1.00 1.49 H new ATOM 0 HD21 LEU A 26 -6.585 -3.324 -1.789 1.00 1.62 H new ATOM 0 HD22 LEU A 26 -7.864 -4.472 -2.250 1.00 1.62 H new ATOM 0 HD23 LEU A 26 -8.294 -2.840 -1.687 1.00 1.62 H new ATOM 382 N SER A 27 -8.936 -8.038 -1.180 1.00 1.08 N ATOM 383 CA SER A 27 -8.474 -9.354 -0.938 1.00 1.10 C ATOM 384 C SER A 27 -7.940 -9.941 -2.230 1.00 1.13 C ATOM 385 O SER A 27 -8.705 -10.231 -3.149 1.00 1.60 O ATOM 386 CB SER A 27 -9.636 -10.195 -0.397 1.00 1.37 C ATOM 387 OG SER A 27 -9.245 -11.511 -0.062 1.00 1.84 O ATOM 0 H SER A 27 -9.110 -7.832 -2.164 1.00 1.08 H new ATOM 0 HA SER A 27 -7.670 -9.347 -0.202 1.00 1.10 H new ATOM 0 HB2 SER A 27 -10.052 -9.708 0.485 1.00 1.37 H new ATOM 0 HB3 SER A 27 -10.429 -10.235 -1.143 1.00 1.37 H new ATOM 0 HG SER A 27 -10.019 -12.006 0.279 1.00 1.84 H new ATOM 393 N GLY A 28 -6.628 -10.011 -2.331 1.00 0.95 N ATOM 394 CA GLY A 28 -5.979 -10.643 -3.480 1.00 1.09 C ATOM 395 C GLY A 28 -5.904 -9.734 -4.694 1.00 0.84 C ATOM 396 O GLY A 28 -4.818 -9.429 -5.187 1.00 1.04 O ATOM 0 H GLY A 28 -5.983 -9.640 -1.634 1.00 0.95 H new ATOM 0 HA2 GLY A 28 -4.971 -10.948 -3.199 1.00 1.09 H new ATOM 0 HA3 GLY A 28 -6.524 -11.549 -3.745 1.00 1.09 H new ATOM 400 N ASP A 29 -7.050 -9.320 -5.171 1.00 0.80 N ATOM 401 CA ASP A 29 -7.161 -8.411 -6.304 1.00 0.86 C ATOM 402 C ASP A 29 -7.084 -6.995 -5.798 1.00 0.77 C ATOM 403 O ASP A 29 -7.982 -6.554 -5.056 1.00 1.01 O ATOM 404 CB ASP A 29 -8.500 -8.593 -7.046 1.00 1.28 C ATOM 405 CG ASP A 29 -8.665 -9.931 -7.722 1.00 1.96 C ATOM 406 OD1 ASP A 29 -8.940 -10.930 -7.031 1.00 2.61 O ATOM 407 OD2 ASP A 29 -8.461 -10.023 -8.949 1.00 2.38 O ATOM 0 H ASP A 29 -7.950 -9.604 -4.784 1.00 0.80 H new ATOM 0 HA ASP A 29 -6.349 -8.629 -6.997 1.00 0.86 H new ATOM 0 HB2 ASP A 29 -9.316 -8.456 -6.336 1.00 1.28 H new ATOM 0 HB3 ASP A 29 -8.595 -7.807 -7.796 1.00 1.28 H new ATOM 412 N PHE A 30 -6.016 -6.295 -6.153 1.00 0.58 N ATOM 413 CA PHE A 30 -5.819 -4.915 -5.729 1.00 0.52 C ATOM 414 C PHE A 30 -4.703 -4.204 -6.497 1.00 0.46 C ATOM 415 O PHE A 30 -4.808 -3.022 -6.732 1.00 0.44 O ATOM 416 CB PHE A 30 -5.570 -4.797 -4.203 1.00 0.56 C ATOM 417 CG PHE A 30 -4.386 -5.567 -3.678 1.00 0.57 C ATOM 418 CD1 PHE A 30 -3.130 -4.998 -3.634 1.00 0.73 C ATOM 419 CD2 PHE A 30 -4.539 -6.856 -3.226 1.00 0.67 C ATOM 420 CE1 PHE A 30 -2.053 -5.703 -3.153 1.00 0.86 C ATOM 421 CE2 PHE A 30 -3.467 -7.565 -2.746 1.00 0.84 C ATOM 422 CZ PHE A 30 -2.222 -6.988 -2.711 1.00 0.89 C ATOM 0 H PHE A 30 -5.266 -6.663 -6.739 1.00 0.58 H new ATOM 0 HA PHE A 30 -6.756 -4.411 -5.966 1.00 0.52 H new ATOM 0 HB2 PHE A 30 -5.436 -3.744 -3.955 1.00 0.56 H new ATOM 0 HB3 PHE A 30 -6.464 -5.137 -3.679 1.00 0.56 H new ATOM 0 HD1 PHE A 30 -2.991 -3.985 -3.982 1.00 0.73 H new ATOM 0 HD2 PHE A 30 -5.516 -7.317 -3.249 1.00 0.67 H new ATOM 0 HE1 PHE A 30 -1.076 -5.245 -3.124 1.00 0.86 H new ATOM 0 HE2 PHE A 30 -3.603 -8.578 -2.396 1.00 0.84 H new ATOM 0 HZ PHE A 30 -1.377 -7.546 -2.336 1.00 0.89 H new ATOM 432 N LEU A 31 -3.640 -4.933 -6.879 1.00 0.48 N ATOM 433 CA LEU A 31 -2.452 -4.338 -7.540 1.00 0.49 C ATOM 434 C LEU A 31 -2.781 -3.460 -8.729 1.00 0.43 C ATOM 435 O LEU A 31 -2.192 -2.394 -8.899 1.00 0.46 O ATOM 436 CB LEU A 31 -1.457 -5.397 -8.004 1.00 0.62 C ATOM 437 CG LEU A 31 -0.716 -6.194 -6.947 1.00 0.73 C ATOM 438 CD1 LEU A 31 0.227 -7.151 -7.640 1.00 1.15 C ATOM 439 CD2 LEU A 31 0.063 -5.275 -6.019 1.00 1.53 C ATOM 0 H LEU A 31 -3.574 -5.942 -6.743 1.00 0.48 H new ATOM 0 HA LEU A 31 -2.010 -3.715 -6.762 1.00 0.49 H new ATOM 0 HB2 LEU A 31 -1.993 -6.103 -8.639 1.00 0.62 H new ATOM 0 HB3 LEU A 31 -0.714 -4.904 -8.632 1.00 0.62 H new ATOM 0 HG LEU A 31 -1.435 -6.746 -6.342 1.00 0.73 H new ATOM 0 HD11 LEU A 31 0.768 -7.733 -6.894 1.00 1.15 H new ATOM 0 HD12 LEU A 31 -0.343 -7.824 -8.281 1.00 1.15 H new ATOM 0 HD13 LEU A 31 0.937 -6.588 -8.246 1.00 1.15 H new ATOM 0 HD21 LEU A 31 0.585 -5.871 -5.271 1.00 1.53 H new ATOM 0 HD22 LEU A 31 0.788 -4.703 -6.598 1.00 1.53 H new ATOM 0 HD23 LEU A 31 -0.625 -4.591 -5.522 1.00 1.53 H new ATOM 451 N ASP A 32 -3.719 -3.904 -9.521 1.00 0.43 N ATOM 452 CA ASP A 32 -4.051 -3.257 -10.780 1.00 0.49 C ATOM 453 C ASP A 32 -5.205 -2.293 -10.578 1.00 0.41 C ATOM 454 O ASP A 32 -5.533 -1.490 -11.448 1.00 0.51 O ATOM 455 CB ASP A 32 -4.427 -4.351 -11.797 1.00 0.68 C ATOM 456 CG ASP A 32 -4.588 -3.865 -13.216 1.00 1.43 C ATOM 457 OD1 ASP A 32 -3.562 -3.588 -13.867 1.00 2.17 O ATOM 458 OD2 ASP A 32 -5.723 -3.803 -13.723 1.00 1.99 O ATOM 0 H ASP A 32 -4.283 -4.729 -9.318 1.00 0.43 H new ATOM 0 HA ASP A 32 -3.200 -2.687 -11.152 1.00 0.49 H new ATOM 0 HB2 ASP A 32 -3.660 -5.125 -11.777 1.00 0.68 H new ATOM 0 HB3 ASP A 32 -5.359 -4.818 -11.479 1.00 0.68 H new ATOM 463 N LEU A 33 -5.788 -2.360 -9.412 1.00 0.36 N ATOM 464 CA LEU A 33 -6.909 -1.540 -9.063 1.00 0.35 C ATOM 465 C LEU A 33 -6.433 -0.223 -8.457 1.00 0.32 C ATOM 466 O LEU A 33 -5.487 -0.184 -7.676 1.00 0.38 O ATOM 467 CB LEU A 33 -7.837 -2.289 -8.105 1.00 0.46 C ATOM 468 CG LEU A 33 -8.385 -3.627 -8.626 1.00 0.70 C ATOM 469 CD1 LEU A 33 -9.275 -4.284 -7.584 1.00 1.56 C ATOM 470 CD2 LEU A 33 -9.142 -3.432 -9.933 1.00 1.56 C ATOM 0 H LEU A 33 -5.492 -2.995 -8.670 1.00 0.36 H new ATOM 0 HA LEU A 33 -7.474 -1.309 -9.966 1.00 0.35 H new ATOM 0 HB2 LEU A 33 -7.299 -2.474 -7.176 1.00 0.46 H new ATOM 0 HB3 LEU A 33 -8.679 -1.641 -7.862 1.00 0.46 H new ATOM 0 HG LEU A 33 -7.539 -4.287 -8.820 1.00 0.70 H new ATOM 0 HD11 LEU A 33 -9.653 -5.230 -7.972 1.00 1.56 H new ATOM 0 HD12 LEU A 33 -8.699 -4.468 -6.677 1.00 1.56 H new ATOM 0 HD13 LEU A 33 -10.113 -3.626 -7.354 1.00 1.56 H new ATOM 0 HD21 LEU A 33 -9.520 -4.393 -10.281 1.00 1.56 H new ATOM 0 HD22 LEU A 33 -9.977 -2.751 -9.772 1.00 1.56 H new ATOM 0 HD23 LEU A 33 -8.471 -3.013 -10.683 1.00 1.56 H new ATOM 482 N ARG A 34 -7.080 0.834 -8.822 1.00 0.39 N ATOM 483 CA ARG A 34 -6.740 2.159 -8.363 1.00 0.49 C ATOM 484 C ARG A 34 -7.194 2.346 -6.936 1.00 0.45 C ATOM 485 O ARG A 34 -8.315 1.959 -6.589 1.00 0.50 O ATOM 486 CB ARG A 34 -7.430 3.181 -9.250 1.00 0.73 C ATOM 487 CG ARG A 34 -6.908 3.228 -10.675 1.00 0.89 C ATOM 488 CD ARG A 34 -5.721 4.158 -10.810 1.00 0.95 C ATOM 489 NE ARG A 34 -6.120 5.562 -10.590 1.00 1.79 N ATOM 490 CZ ARG A 34 -5.692 6.613 -11.303 1.00 2.53 C ATOM 491 NH1 ARG A 34 -4.795 6.462 -12.261 1.00 2.76 N ATOM 492 NH2 ARG A 34 -6.185 7.807 -11.059 1.00 3.48 N ATOM 0 H ARG A 34 -7.876 0.811 -9.459 1.00 0.39 H new ATOM 0 HA ARG A 34 -5.659 2.292 -8.410 1.00 0.49 H new ATOM 0 HB2 ARG A 34 -8.497 2.962 -9.274 1.00 0.73 H new ATOM 0 HB3 ARG A 34 -7.317 4.168 -8.802 1.00 0.73 H new ATOM 0 HG2 ARG A 34 -6.621 2.225 -10.990 1.00 0.89 H new ATOM 0 HG3 ARG A 34 -7.704 3.556 -11.343 1.00 0.89 H new ATOM 0 HD2 ARG A 34 -4.952 3.878 -10.090 1.00 0.95 H new ATOM 0 HD3 ARG A 34 -5.283 4.052 -11.802 1.00 0.95 H new ATOM 0 HE ARG A 34 -6.776 5.748 -9.832 1.00 1.79 H new ATOM 0 HH11 ARG A 34 -4.419 5.536 -12.466 1.00 2.76 H new ATOM 0 HH12 ARG A 34 -4.479 7.271 -12.795 1.00 2.76 H new ATOM 0 HH21 ARG A 34 -6.889 7.929 -10.331 1.00 3.48 H new ATOM 0 HH22 ARG A 34 -5.864 8.611 -11.598 1.00 3.48 H new ATOM 506 N PHE A 35 -6.325 2.937 -6.112 1.00 0.43 N ATOM 507 CA PHE A 35 -6.634 3.232 -4.707 1.00 0.43 C ATOM 508 C PHE A 35 -7.985 3.918 -4.567 1.00 0.48 C ATOM 509 O PHE A 35 -8.823 3.494 -3.768 1.00 0.52 O ATOM 510 CB PHE A 35 -5.559 4.112 -4.052 1.00 0.44 C ATOM 511 CG PHE A 35 -4.216 3.465 -3.864 1.00 0.47 C ATOM 512 CD1 PHE A 35 -4.072 2.367 -3.032 1.00 0.52 C ATOM 513 CD2 PHE A 35 -3.094 3.979 -4.484 1.00 0.53 C ATOM 514 CE1 PHE A 35 -2.836 1.791 -2.830 1.00 0.58 C ATOM 515 CE2 PHE A 35 -1.854 3.405 -4.290 1.00 0.59 C ATOM 516 CZ PHE A 35 -1.725 2.311 -3.460 1.00 0.60 C ATOM 0 H PHE A 35 -5.389 3.225 -6.397 1.00 0.43 H new ATOM 0 HA PHE A 35 -6.660 2.270 -4.195 1.00 0.43 H new ATOM 0 HB2 PHE A 35 -5.429 5.008 -4.659 1.00 0.44 H new ATOM 0 HB3 PHE A 35 -5.925 4.437 -3.078 1.00 0.44 H new ATOM 0 HD1 PHE A 35 -4.939 1.957 -2.535 1.00 0.52 H new ATOM 0 HD2 PHE A 35 -3.188 4.841 -5.128 1.00 0.53 H new ATOM 0 HE1 PHE A 35 -2.738 0.934 -2.180 1.00 0.58 H new ATOM 0 HE2 PHE A 35 -0.986 3.812 -4.787 1.00 0.59 H new ATOM 0 HZ PHE A 35 -0.755 1.862 -3.304 1.00 0.60 H new ATOM 526 N GLU A 36 -8.196 4.946 -5.378 1.00 0.53 N ATOM 527 CA GLU A 36 -9.418 5.740 -5.361 1.00 0.67 C ATOM 528 C GLU A 36 -10.696 4.899 -5.552 1.00 0.73 C ATOM 529 O GLU A 36 -11.742 5.206 -4.973 1.00 0.87 O ATOM 530 CB GLU A 36 -9.352 6.843 -6.411 1.00 0.75 C ATOM 531 CG GLU A 36 -9.171 6.348 -7.839 1.00 1.26 C ATOM 532 CD GLU A 36 -9.240 7.466 -8.830 1.00 1.59 C ATOM 533 OE1 GLU A 36 -10.350 7.944 -9.140 1.00 2.04 O ATOM 534 OE2 GLU A 36 -8.184 7.865 -9.352 1.00 1.90 O ATOM 0 H GLU A 36 -7.517 5.256 -6.073 1.00 0.53 H new ATOM 0 HA GLU A 36 -9.482 6.182 -4.367 1.00 0.67 H new ATOM 0 HB2 GLU A 36 -10.267 7.432 -6.358 1.00 0.75 H new ATOM 0 HB3 GLU A 36 -8.527 7.512 -6.165 1.00 0.75 H new ATOM 0 HG2 GLU A 36 -8.210 5.842 -7.929 1.00 1.26 H new ATOM 0 HG3 GLU A 36 -9.941 5.612 -8.068 1.00 1.26 H new ATOM 541 N ASP A 37 -10.599 3.823 -6.318 1.00 0.70 N ATOM 542 CA ASP A 37 -11.756 3.000 -6.623 1.00 0.83 C ATOM 543 C ASP A 37 -11.975 1.973 -5.545 1.00 0.82 C ATOM 544 O ASP A 37 -13.104 1.573 -5.278 1.00 0.98 O ATOM 545 CB ASP A 37 -11.599 2.266 -7.966 1.00 0.94 C ATOM 546 CG ASP A 37 -11.529 3.165 -9.174 1.00 1.41 C ATOM 547 OD1 ASP A 37 -12.515 3.857 -9.453 1.00 1.71 O ATOM 548 OD2 ASP A 37 -10.472 3.236 -9.835 1.00 2.12 O ATOM 0 H ASP A 37 -9.728 3.500 -6.740 1.00 0.70 H new ATOM 0 HA ASP A 37 -12.611 3.673 -6.684 1.00 0.83 H new ATOM 0 HB2 ASP A 37 -10.694 1.660 -7.929 1.00 0.94 H new ATOM 0 HB3 ASP A 37 -12.437 1.580 -8.089 1.00 0.94 H new ATOM 553 N ILE A 38 -10.902 1.570 -4.894 1.00 0.68 N ATOM 554 CA ILE A 38 -10.979 0.518 -3.890 1.00 0.70 C ATOM 555 C ILE A 38 -11.103 1.059 -2.467 1.00 0.72 C ATOM 556 O ILE A 38 -10.899 0.339 -1.502 1.00 0.82 O ATOM 557 CB ILE A 38 -9.816 -0.509 -4.004 1.00 0.69 C ATOM 558 CG1 ILE A 38 -8.445 0.189 -3.896 1.00 0.63 C ATOM 559 CG2 ILE A 38 -9.932 -1.271 -5.315 1.00 0.80 C ATOM 560 CD1 ILE A 38 -7.247 -0.742 -4.004 1.00 0.75 C ATOM 0 H ILE A 38 -9.967 1.951 -5.039 1.00 0.68 H new ATOM 0 HA ILE A 38 -11.903 -0.017 -4.107 1.00 0.70 H new ATOM 0 HB ILE A 38 -9.891 -1.214 -3.176 1.00 0.69 H new ATOM 0 HG12 ILE A 38 -8.374 0.943 -4.680 1.00 0.63 H new ATOM 0 HG13 ILE A 38 -8.394 0.715 -2.943 1.00 0.63 H new ATOM 0 HG21 ILE A 38 -9.116 -1.989 -5.392 1.00 0.80 H new ATOM 0 HG22 ILE A 38 -10.885 -1.800 -5.346 1.00 0.80 H new ATOM 0 HG23 ILE A 38 -9.879 -0.571 -6.149 1.00 0.80 H new ATOM 0 HD11 ILE A 38 -6.327 -0.163 -3.917 1.00 0.75 H new ATOM 0 HD12 ILE A 38 -7.287 -1.481 -3.204 1.00 0.75 H new ATOM 0 HD13 ILE A 38 -7.266 -1.250 -4.968 1.00 0.75 H new ATOM 572 N GLY A 39 -11.504 2.314 -2.360 1.00 0.75 N ATOM 573 CA GLY A 39 -11.770 2.913 -1.062 1.00 0.87 C ATOM 574 C GLY A 39 -10.538 3.436 -0.356 1.00 0.68 C ATOM 575 O GLY A 39 -10.594 3.801 0.827 1.00 0.76 O ATOM 0 H GLY A 39 -11.652 2.937 -3.154 1.00 0.75 H new ATOM 0 HA2 GLY A 39 -12.477 3.733 -1.191 1.00 0.87 H new ATOM 0 HA3 GLY A 39 -12.253 2.172 -0.425 1.00 0.87 H new ATOM 579 N TYR A 40 -9.439 3.502 -1.052 1.00 0.55 N ATOM 580 CA TYR A 40 -8.217 3.969 -0.457 1.00 0.52 C ATOM 581 C TYR A 40 -7.977 5.412 -0.720 1.00 0.56 C ATOM 582 O TYR A 40 -7.494 5.804 -1.792 1.00 0.71 O ATOM 583 CB TYR A 40 -7.008 3.146 -0.875 1.00 0.60 C ATOM 584 CG TYR A 40 -6.917 1.831 -0.187 1.00 0.55 C ATOM 585 CD1 TYR A 40 -7.729 0.781 -0.544 1.00 0.75 C ATOM 586 CD2 TYR A 40 -6.009 1.645 0.837 1.00 0.62 C ATOM 587 CE1 TYR A 40 -7.650 -0.421 0.097 1.00 0.94 C ATOM 588 CE2 TYR A 40 -5.915 0.449 1.483 1.00 0.79 C ATOM 589 CZ TYR A 40 -6.745 -0.588 1.107 1.00 0.93 C ATOM 590 OH TYR A 40 -6.669 -1.786 1.742 1.00 1.21 O ATOM 0 H TYR A 40 -9.363 3.238 -2.034 1.00 0.55 H new ATOM 0 HA TYR A 40 -8.349 3.839 0.617 1.00 0.52 H new ATOM 0 HB2 TYR A 40 -7.046 2.982 -1.952 1.00 0.60 H new ATOM 0 HB3 TYR A 40 -6.102 3.717 -0.671 1.00 0.60 H new ATOM 0 HD1 TYR A 40 -8.442 0.910 -1.345 1.00 0.75 H new ATOM 0 HD2 TYR A 40 -5.364 2.460 1.130 1.00 0.62 H new ATOM 0 HE1 TYR A 40 -8.298 -1.235 -0.192 1.00 0.94 H new ATOM 0 HE2 TYR A 40 -5.199 0.314 2.280 1.00 0.79 H new ATOM 0 HH TYR A 40 -6.716 -1.646 2.711 1.00 1.21 H new ATOM 600 N ASP A 41 -8.326 6.208 0.237 1.00 0.58 N ATOM 601 CA ASP A 41 -8.036 7.602 0.166 1.00 0.77 C ATOM 602 C ASP A 41 -6.642 7.788 0.710 1.00 0.91 C ATOM 603 O ASP A 41 -6.090 6.877 1.343 1.00 1.78 O ATOM 604 CB ASP A 41 -9.031 8.448 0.975 1.00 0.86 C ATOM 605 CG ASP A 41 -8.864 8.311 2.466 1.00 1.62 C ATOM 606 OD1 ASP A 41 -9.401 7.346 3.043 1.00 2.34 O ATOM 607 OD2 ASP A 41 -8.184 9.161 3.081 1.00 2.07 O ATOM 0 H ASP A 41 -8.815 5.914 1.082 1.00 0.58 H new ATOM 0 HA ASP A 41 -8.117 7.937 -0.868 1.00 0.77 H new ATOM 0 HB2 ASP A 41 -8.913 9.496 0.699 1.00 0.86 H new ATOM 0 HB3 ASP A 41 -10.046 8.159 0.703 1.00 0.86 H new ATOM 612 N SER A 42 -6.094 8.922 0.468 1.00 0.59 N ATOM 613 CA SER A 42 -4.754 9.284 0.862 1.00 0.58 C ATOM 614 C SER A 42 -4.454 9.074 2.376 1.00 0.51 C ATOM 615 O SER A 42 -3.338 8.705 2.741 1.00 0.51 O ATOM 616 CB SER A 42 -4.549 10.704 0.431 1.00 0.71 C ATOM 617 OG SER A 42 -5.779 11.425 0.731 1.00 0.97 O ATOM 0 H SER A 42 -6.578 9.668 -0.033 1.00 0.59 H new ATOM 0 HA SER A 42 -4.043 8.617 0.374 1.00 0.58 H new ATOM 0 HB2 SER A 42 -3.704 11.148 0.957 1.00 0.71 H new ATOM 0 HB3 SER A 42 -4.323 10.754 -0.634 1.00 0.71 H new ATOM 622 N LEU A 43 -5.447 9.256 3.240 1.00 0.48 N ATOM 623 CA LEU A 43 -5.230 9.101 4.671 1.00 0.51 C ATOM 624 C LEU A 43 -5.214 7.616 5.024 1.00 0.46 C ATOM 625 O LEU A 43 -4.375 7.165 5.785 1.00 0.50 O ATOM 626 CB LEU A 43 -6.279 9.902 5.477 1.00 0.60 C ATOM 627 CG LEU A 43 -6.070 10.035 7.004 1.00 0.76 C ATOM 628 CD1 LEU A 43 -6.864 11.210 7.511 1.00 1.40 C ATOM 629 CD2 LEU A 43 -6.516 8.778 7.751 1.00 1.64 C ATOM 0 H LEU A 43 -6.400 9.508 2.977 1.00 0.48 H new ATOM 0 HA LEU A 43 -4.260 9.515 4.945 1.00 0.51 H new ATOM 0 HB2 LEU A 43 -6.328 10.907 5.057 1.00 0.60 H new ATOM 0 HB3 LEU A 43 -7.252 9.440 5.311 1.00 0.60 H new ATOM 0 HG LEU A 43 -5.005 10.178 7.185 1.00 0.76 H new ATOM 0 HD11 LEU A 43 -6.721 11.309 8.587 1.00 1.40 H new ATOM 0 HD12 LEU A 43 -6.525 12.119 7.015 1.00 1.40 H new ATOM 0 HD13 LEU A 43 -7.922 11.053 7.299 1.00 1.40 H new ATOM 0 HD21 LEU A 43 -6.352 8.913 8.820 1.00 1.64 H new ATOM 0 HD22 LEU A 43 -7.575 8.601 7.566 1.00 1.64 H new ATOM 0 HD23 LEU A 43 -5.939 7.922 7.401 1.00 1.64 H new ATOM 641 N ALA A 44 -6.103 6.852 4.420 1.00 0.44 N ATOM 642 CA ALA A 44 -6.123 5.401 4.636 1.00 0.45 C ATOM 643 C ALA A 44 -4.849 4.779 4.055 1.00 0.41 C ATOM 644 O ALA A 44 -4.343 3.748 4.525 1.00 0.47 O ATOM 645 CB ALA A 44 -7.356 4.781 3.989 1.00 0.51 C ATOM 0 H ALA A 44 -6.818 7.198 3.780 1.00 0.44 H new ATOM 0 HA ALA A 44 -6.164 5.202 5.707 1.00 0.45 H new ATOM 0 HB1 ALA A 44 -7.354 3.704 4.159 1.00 0.51 H new ATOM 0 HB2 ALA A 44 -8.254 5.216 4.427 1.00 0.51 H new ATOM 0 HB3 ALA A 44 -7.343 4.979 2.917 1.00 0.51 H new ATOM 651 N LEU A 45 -4.333 5.426 3.042 1.00 0.39 N ATOM 652 CA LEU A 45 -3.129 5.008 2.391 1.00 0.42 C ATOM 653 C LEU A 45 -1.891 5.369 3.215 1.00 0.41 C ATOM 654 O LEU A 45 -0.965 4.562 3.316 1.00 0.44 O ATOM 655 CB LEU A 45 -3.054 5.616 0.999 1.00 0.50 C ATOM 656 CG LEU A 45 -1.830 5.268 0.165 1.00 0.61 C ATOM 657 CD1 LEU A 45 -1.716 3.762 -0.029 1.00 1.19 C ATOM 658 CD2 LEU A 45 -1.922 5.966 -1.164 1.00 0.90 C ATOM 0 H LEU A 45 -4.747 6.269 2.644 1.00 0.39 H new ATOM 0 HA LEU A 45 -3.149 3.922 2.300 1.00 0.42 H new ATOM 0 HB2 LEU A 45 -3.941 5.309 0.445 1.00 0.50 H new ATOM 0 HB3 LEU A 45 -3.100 6.700 1.099 1.00 0.50 H new ATOM 0 HG LEU A 45 -0.935 5.603 0.689 1.00 0.61 H new ATOM 0 HD11 LEU A 45 -0.833 3.538 -0.628 1.00 1.19 H new ATOM 0 HD12 LEU A 45 -1.628 3.276 0.942 1.00 1.19 H new ATOM 0 HD13 LEU A 45 -2.605 3.393 -0.540 1.00 1.19 H new ATOM 0 HD21 LEU A 45 -1.047 5.720 -1.766 1.00 0.90 H new ATOM 0 HD22 LEU A 45 -2.823 5.641 -1.684 1.00 0.90 H new ATOM 0 HD23 LEU A 45 -1.963 7.044 -1.007 1.00 0.90 H new ATOM 670 N MET A 46 -1.893 6.560 3.833 1.00 0.42 N ATOM 671 CA MET A 46 -0.735 7.031 4.624 1.00 0.48 C ATOM 672 C MET A 46 -0.455 6.095 5.774 1.00 0.46 C ATOM 673 O MET A 46 0.699 5.863 6.132 1.00 0.53 O ATOM 674 CB MET A 46 -0.910 8.501 5.123 1.00 0.57 C ATOM 675 CG MET A 46 -1.900 8.764 6.271 1.00 0.58 C ATOM 676 SD MET A 46 -1.313 8.274 7.920 1.00 1.46 S ATOM 677 CE MET A 46 0.260 9.138 8.011 1.00 1.78 C ATOM 0 H MET A 46 -2.675 7.214 3.804 1.00 0.42 H new ATOM 0 HA MET A 46 0.128 7.028 3.958 1.00 0.48 H new ATOM 0 HB2 MET A 46 0.068 8.865 5.436 1.00 0.57 H new ATOM 0 HB3 MET A 46 -1.218 9.108 4.271 1.00 0.57 H new ATOM 0 HG2 MET A 46 -2.139 9.827 6.288 1.00 0.58 H new ATOM 0 HG3 MET A 46 -2.828 8.232 6.059 1.00 0.58 H new ATOM 0 HE1 MET A 46 0.411 9.513 9.023 1.00 1.78 H new ATOM 0 HE2 MET A 46 1.067 8.452 7.754 1.00 1.78 H new ATOM 0 HE3 MET A 46 0.257 9.974 7.311 1.00 1.78 H new ATOM 687 N GLU A 47 -1.521 5.530 6.318 1.00 0.44 N ATOM 688 CA GLU A 47 -1.431 4.594 7.406 1.00 0.49 C ATOM 689 C GLU A 47 -0.639 3.383 6.968 1.00 0.47 C ATOM 690 O GLU A 47 0.318 2.990 7.617 1.00 0.51 O ATOM 691 CB GLU A 47 -2.811 4.143 7.800 1.00 0.54 C ATOM 692 CG GLU A 47 -3.736 5.209 8.299 1.00 0.78 C ATOM 693 CD GLU A 47 -5.021 4.607 8.782 1.00 1.06 C ATOM 694 OE1 GLU A 47 -5.688 3.910 7.993 1.00 1.88 O ATOM 695 OE2 GLU A 47 -5.414 4.860 9.951 1.00 1.03 O ATOM 0 H GLU A 47 -2.475 5.715 6.009 1.00 0.44 H new ATOM 0 HA GLU A 47 -0.940 5.078 8.250 1.00 0.49 H new ATOM 0 HB2 GLU A 47 -3.274 3.663 6.938 1.00 0.54 H new ATOM 0 HB3 GLU A 47 -2.715 3.382 8.575 1.00 0.54 H new ATOM 0 HG2 GLU A 47 -3.260 5.762 9.109 1.00 0.78 H new ATOM 0 HG3 GLU A 47 -3.940 5.924 7.502 1.00 0.78 H new ATOM 702 N THR A 48 -1.042 2.822 5.841 1.00 0.45 N ATOM 703 CA THR A 48 -0.395 1.668 5.268 1.00 0.48 C ATOM 704 C THR A 48 1.061 1.992 4.903 1.00 0.44 C ATOM 705 O THR A 48 1.962 1.179 5.140 1.00 0.46 O ATOM 706 CB THR A 48 -1.170 1.193 4.030 1.00 0.54 C ATOM 707 OG1 THR A 48 -2.547 0.949 4.405 1.00 0.63 O ATOM 708 CG2 THR A 48 -0.560 -0.092 3.484 1.00 0.65 C ATOM 0 H THR A 48 -1.835 3.162 5.298 1.00 0.45 H new ATOM 0 HA THR A 48 -0.389 0.866 6.006 1.00 0.48 H new ATOM 0 HB THR A 48 -1.120 1.961 3.258 1.00 0.54 H new ATOM 0 HG1 THR A 48 -3.035 1.799 4.429 1.00 0.63 H new ATOM 0 HG21 THR A 48 -1.120 -0.416 2.607 1.00 0.65 H new ATOM 0 HG22 THR A 48 0.478 0.088 3.206 1.00 0.65 H new ATOM 0 HG23 THR A 48 -0.602 -0.868 4.248 1.00 0.65 H new ATOM 716 N ALA A 49 1.275 3.175 4.336 1.00 0.45 N ATOM 717 CA ALA A 49 2.607 3.640 3.976 1.00 0.48 C ATOM 718 C ALA A 49 3.519 3.643 5.200 1.00 0.44 C ATOM 719 O ALA A 49 4.549 2.972 5.208 1.00 0.45 O ATOM 720 CB ALA A 49 2.540 5.030 3.352 1.00 0.57 C ATOM 0 H ALA A 49 0.531 3.836 4.114 1.00 0.45 H new ATOM 0 HA ALA A 49 3.024 2.955 3.238 1.00 0.48 H new ATOM 0 HB1 ALA A 49 3.545 5.360 3.090 1.00 0.57 H new ATOM 0 HB2 ALA A 49 1.923 4.996 2.454 1.00 0.57 H new ATOM 0 HB3 ALA A 49 2.103 5.729 4.066 1.00 0.57 H new ATOM 726 N ALA A 50 3.091 4.339 6.247 1.00 0.44 N ATOM 727 CA ALA A 50 3.850 4.441 7.498 1.00 0.46 C ATOM 728 C ALA A 50 4.050 3.066 8.141 1.00 0.44 C ATOM 729 O ALA A 50 5.117 2.770 8.715 1.00 0.44 O ATOM 730 CB ALA A 50 3.134 5.374 8.462 1.00 0.56 C ATOM 0 H ALA A 50 2.208 4.850 6.257 1.00 0.44 H new ATOM 0 HA ALA A 50 4.835 4.848 7.267 1.00 0.46 H new ATOM 0 HB1 ALA A 50 3.703 5.445 9.389 1.00 0.56 H new ATOM 0 HB2 ALA A 50 3.046 6.363 8.013 1.00 0.56 H new ATOM 0 HB3 ALA A 50 2.139 4.983 8.676 1.00 0.56 H new ATOM 736 N ARG A 51 3.025 2.236 8.022 1.00 0.46 N ATOM 737 CA ARG A 51 3.015 0.870 8.534 1.00 0.48 C ATOM 738 C ARG A 51 4.139 0.064 7.878 1.00 0.46 C ATOM 739 O ARG A 51 4.918 -0.609 8.558 1.00 0.49 O ATOM 740 CB ARG A 51 1.636 0.262 8.234 1.00 0.54 C ATOM 741 CG ARG A 51 1.357 -1.131 8.763 1.00 0.78 C ATOM 742 CD ARG A 51 -0.095 -1.514 8.456 1.00 0.80 C ATOM 743 NE ARG A 51 -1.047 -0.575 9.103 1.00 1.68 N ATOM 744 CZ ARG A 51 -2.071 0.067 8.496 1.00 2.07 C ATOM 745 NH1 ARG A 51 -2.431 -0.227 7.254 1.00 1.80 N ATOM 746 NH2 ARG A 51 -2.764 0.981 9.154 1.00 3.14 N ATOM 0 H ARG A 51 2.156 2.497 7.556 1.00 0.46 H new ATOM 0 HA ARG A 51 3.188 0.854 9.610 1.00 0.48 H new ATOM 0 HB2 ARG A 51 0.877 0.933 8.637 1.00 0.54 H new ATOM 0 HB3 ARG A 51 1.504 0.244 7.152 1.00 0.54 H new ATOM 0 HG2 ARG A 51 2.038 -1.848 8.305 1.00 0.78 H new ATOM 0 HG3 ARG A 51 1.534 -1.165 9.838 1.00 0.78 H new ATOM 0 HD2 ARG A 51 -0.254 -1.512 7.378 1.00 0.80 H new ATOM 0 HD3 ARG A 51 -0.288 -2.529 8.804 1.00 0.80 H new ATOM 0 HE ARG A 51 -0.916 -0.398 10.099 1.00 1.68 H new ATOM 0 HH11 ARG A 51 -1.932 -0.951 6.736 1.00 1.80 H new ATOM 0 HH12 ARG A 51 -3.207 0.270 6.817 1.00 1.80 H new ATOM 0 HH21 ARG A 51 -2.527 1.203 10.121 1.00 3.14 H new ATOM 0 HH22 ARG A 51 -3.536 1.464 8.695 1.00 3.14 H new ATOM 760 N LEU A 52 4.243 0.176 6.562 1.00 0.44 N ATOM 761 CA LEU A 52 5.289 -0.495 5.819 1.00 0.46 C ATOM 762 C LEU A 52 6.643 0.125 6.109 1.00 0.38 C ATOM 763 O LEU A 52 7.635 -0.596 6.257 1.00 0.40 O ATOM 764 CB LEU A 52 4.992 -0.487 4.317 1.00 0.55 C ATOM 765 CG LEU A 52 3.779 -1.309 3.877 1.00 0.70 C ATOM 766 CD1 LEU A 52 3.511 -1.116 2.397 1.00 0.83 C ATOM 767 CD2 LEU A 52 4.001 -2.784 4.178 1.00 0.80 C ATOM 0 H LEU A 52 3.609 0.730 5.987 1.00 0.44 H new ATOM 0 HA LEU A 52 5.317 -1.534 6.147 1.00 0.46 H new ATOM 0 HB2 LEU A 52 4.843 0.545 4.000 1.00 0.55 H new ATOM 0 HB3 LEU A 52 5.870 -0.859 3.789 1.00 0.55 H new ATOM 0 HG LEU A 52 2.910 -0.962 4.436 1.00 0.70 H new ATOM 0 HD11 LEU A 52 2.645 -1.709 2.104 1.00 0.83 H new ATOM 0 HD12 LEU A 52 3.314 -0.063 2.197 1.00 0.83 H new ATOM 0 HD13 LEU A 52 4.381 -1.438 1.825 1.00 0.83 H new ATOM 0 HD21 LEU A 52 3.129 -3.356 3.859 1.00 0.80 H new ATOM 0 HD22 LEU A 52 4.882 -3.136 3.641 1.00 0.80 H new ATOM 0 HD23 LEU A 52 4.151 -2.918 5.249 1.00 0.80 H new ATOM 779 N GLU A 53 6.677 1.452 6.224 1.00 0.35 N ATOM 780 CA GLU A 53 7.905 2.179 6.522 1.00 0.33 C ATOM 781 C GLU A 53 8.562 1.699 7.790 1.00 0.34 C ATOM 782 O GLU A 53 9.663 1.188 7.751 1.00 0.41 O ATOM 783 CB GLU A 53 7.673 3.674 6.637 1.00 0.34 C ATOM 784 CG GLU A 53 7.349 4.365 5.350 1.00 0.35 C ATOM 785 CD GLU A 53 7.228 5.846 5.544 1.00 0.42 C ATOM 786 OE1 GLU A 53 8.254 6.537 5.421 1.00 0.49 O ATOM 787 OE2 GLU A 53 6.135 6.353 5.860 1.00 0.59 O ATOM 0 H GLU A 53 5.857 2.049 6.113 1.00 0.35 H new ATOM 0 HA GLU A 53 8.566 1.980 5.679 1.00 0.33 H new ATOM 0 HB2 GLU A 53 6.858 3.847 7.340 1.00 0.34 H new ATOM 0 HB3 GLU A 53 8.565 4.133 7.064 1.00 0.34 H new ATOM 0 HG2 GLU A 53 8.126 4.154 4.616 1.00 0.35 H new ATOM 0 HG3 GLU A 53 6.416 3.971 4.948 1.00 0.35 H new ATOM 794 N SER A 54 7.869 1.827 8.896 1.00 0.36 N ATOM 795 CA SER A 54 8.425 1.477 10.181 1.00 0.43 C ATOM 796 C SER A 54 8.748 -0.027 10.292 1.00 0.42 C ATOM 797 O SER A 54 9.763 -0.407 10.878 1.00 0.48 O ATOM 798 CB SER A 54 7.492 1.962 11.283 1.00 0.55 C ATOM 799 OG SER A 54 7.274 3.378 11.149 1.00 1.22 O ATOM 0 H SER A 54 6.911 2.174 8.931 1.00 0.36 H new ATOM 0 HA SER A 54 9.384 1.981 10.297 1.00 0.43 H new ATOM 0 HB2 SER A 54 6.541 1.432 11.227 1.00 0.55 H new ATOM 0 HB3 SER A 54 7.923 1.742 12.260 1.00 0.55 H new ATOM 0 HG SER A 54 6.672 3.685 11.859 1.00 1.22 H new ATOM 805 N ARG A 55 7.911 -0.861 9.689 1.00 0.44 N ATOM 806 CA ARG A 55 8.110 -2.309 9.706 1.00 0.51 C ATOM 807 C ARG A 55 9.353 -2.731 8.902 1.00 0.56 C ATOM 808 O ARG A 55 10.186 -3.515 9.381 1.00 0.64 O ATOM 809 CB ARG A 55 6.856 -3.018 9.180 1.00 0.60 C ATOM 810 CG ARG A 55 6.983 -4.521 9.041 1.00 0.77 C ATOM 811 CD ARG A 55 5.691 -5.133 8.549 1.00 0.95 C ATOM 812 NE ARG A 55 5.845 -6.554 8.237 1.00 1.51 N ATOM 813 CZ ARG A 55 5.318 -7.149 7.165 1.00 1.97 C ATOM 814 NH1 ARG A 55 4.394 -6.530 6.447 1.00 1.87 N ATOM 815 NH2 ARG A 55 5.652 -8.393 6.862 1.00 2.88 N ATOM 0 H ARG A 55 7.081 -0.559 9.178 1.00 0.44 H new ATOM 0 HA ARG A 55 8.283 -2.609 10.740 1.00 0.51 H new ATOM 0 HB2 ARG A 55 6.025 -2.799 9.850 1.00 0.60 H new ATOM 0 HB3 ARG A 55 6.600 -2.598 8.207 1.00 0.60 H new ATOM 0 HG2 ARG A 55 7.789 -4.758 8.347 1.00 0.77 H new ATOM 0 HG3 ARG A 55 7.252 -4.957 10.003 1.00 0.77 H new ATOM 0 HD2 ARG A 55 4.919 -5.010 9.308 1.00 0.95 H new ATOM 0 HD3 ARG A 55 5.352 -4.601 7.660 1.00 0.95 H new ATOM 0 HE ARG A 55 6.391 -7.127 8.881 1.00 1.51 H new ATOM 0 HH11 ARG A 55 4.083 -5.596 6.713 1.00 1.87 H new ATOM 0 HH12 ARG A 55 3.993 -6.987 5.628 1.00 1.87 H new ATOM 0 HH21 ARG A 55 6.314 -8.901 7.449 1.00 2.88 H new ATOM 0 HH22 ARG A 55 5.247 -8.844 6.042 1.00 2.88 H new ATOM 829 N TYR A 56 9.478 -2.211 7.695 1.00 0.56 N ATOM 830 CA TYR A 56 10.574 -2.589 6.805 1.00 0.67 C ATOM 831 C TYR A 56 11.796 -1.695 6.957 1.00 0.70 C ATOM 832 O TYR A 56 12.842 -1.958 6.370 1.00 0.86 O ATOM 833 CB TYR A 56 10.104 -2.631 5.348 1.00 0.75 C ATOM 834 CG TYR A 56 9.169 -3.778 5.046 1.00 0.85 C ATOM 835 CD1 TYR A 56 9.677 -5.019 4.715 1.00 1.09 C ATOM 836 CD2 TYR A 56 7.790 -3.629 5.103 1.00 0.82 C ATOM 837 CE1 TYR A 56 8.855 -6.081 4.444 1.00 1.24 C ATOM 838 CE2 TYR A 56 6.950 -4.693 4.837 1.00 0.96 C ATOM 839 CZ TYR A 56 7.496 -5.922 4.508 1.00 1.17 C ATOM 840 OH TYR A 56 6.684 -6.995 4.245 1.00 1.33 O ATOM 0 H TYR A 56 8.835 -1.523 7.302 1.00 0.56 H new ATOM 0 HA TYR A 56 10.884 -3.591 7.102 1.00 0.67 H new ATOM 0 HB2 TYR A 56 9.603 -1.693 5.110 1.00 0.75 H new ATOM 0 HB3 TYR A 56 10.975 -2.702 4.696 1.00 0.75 H new ATOM 0 HD1 TYR A 56 10.747 -5.155 4.669 1.00 1.09 H new ATOM 0 HD2 TYR A 56 7.368 -2.668 5.359 1.00 0.82 H new ATOM 0 HE1 TYR A 56 9.277 -7.040 4.181 1.00 1.24 H new ATOM 0 HE2 TYR A 56 5.878 -4.567 4.885 1.00 0.96 H new ATOM 0 HH TYR A 56 5.746 -6.721 4.316 1.00 1.33 H new ATOM 850 N GLY A 57 11.660 -0.643 7.728 1.00 0.61 N ATOM 851 CA GLY A 57 12.765 0.266 7.971 1.00 0.68 C ATOM 852 C GLY A 57 12.979 1.229 6.820 1.00 0.72 C ATOM 853 O GLY A 57 14.002 1.904 6.746 1.00 0.91 O ATOM 0 H GLY A 57 10.793 -0.391 8.202 1.00 0.61 H new ATOM 0 HA2 GLY A 57 12.575 0.830 8.884 1.00 0.68 H new ATOM 0 HA3 GLY A 57 13.676 -0.309 8.136 1.00 0.68 H new ATOM 857 N VAL A 58 11.985 1.350 5.977 1.00 0.62 N ATOM 858 CA VAL A 58 12.103 2.151 4.784 1.00 0.65 C ATOM 859 C VAL A 58 11.537 3.538 5.016 1.00 0.57 C ATOM 860 O VAL A 58 10.953 3.804 6.060 1.00 0.50 O ATOM 861 CB VAL A 58 11.420 1.493 3.541 1.00 0.67 C ATOM 862 CG1 VAL A 58 12.001 0.123 3.270 1.00 0.81 C ATOM 863 CG2 VAL A 58 9.907 1.395 3.713 1.00 0.57 C ATOM 0 H VAL A 58 11.077 0.900 6.096 1.00 0.62 H new ATOM 0 HA VAL A 58 13.168 2.224 4.563 1.00 0.65 H new ATOM 0 HB VAL A 58 11.620 2.138 2.685 1.00 0.67 H new ATOM 0 HG11 VAL A 58 11.510 -0.315 2.401 1.00 0.81 H new ATOM 0 HG12 VAL A 58 13.070 0.213 3.076 1.00 0.81 H new ATOM 0 HG13 VAL A 58 11.842 -0.518 4.137 1.00 0.81 H new ATOM 0 HG21 VAL A 58 9.469 0.932 2.828 1.00 0.57 H new ATOM 0 HG22 VAL A 58 9.679 0.789 4.590 1.00 0.57 H new ATOM 0 HG23 VAL A 58 9.490 2.394 3.844 1.00 0.57 H new ATOM 873 N SER A 59 11.712 4.411 4.073 1.00 0.63 N ATOM 874 CA SER A 59 11.186 5.750 4.169 1.00 0.63 C ATOM 875 C SER A 59 10.523 6.138 2.846 1.00 0.62 C ATOM 876 O SER A 59 11.177 6.191 1.803 1.00 0.73 O ATOM 877 CB SER A 59 12.317 6.719 4.523 1.00 0.83 C ATOM 878 OG SER A 59 13.029 6.262 5.681 1.00 1.41 O ATOM 0 H SER A 59 12.223 4.221 3.211 1.00 0.63 H new ATOM 0 HA SER A 59 10.433 5.797 4.956 1.00 0.63 H new ATOM 0 HB2 SER A 59 13.002 6.810 3.680 1.00 0.83 H new ATOM 0 HB3 SER A 59 11.908 7.712 4.709 1.00 0.83 H new ATOM 0 HG SER A 59 13.749 6.892 5.892 1.00 1.41 H new ATOM 884 N ILE A 60 9.228 6.350 2.894 1.00 0.52 N ATOM 885 CA ILE A 60 8.453 6.696 1.722 1.00 0.53 C ATOM 886 C ILE A 60 8.238 8.208 1.664 1.00 0.59 C ATOM 887 O ILE A 60 7.570 8.782 2.535 1.00 0.67 O ATOM 888 CB ILE A 60 7.075 5.964 1.693 1.00 0.51 C ATOM 889 CG1 ILE A 60 7.278 4.439 1.736 1.00 0.50 C ATOM 890 CG2 ILE A 60 6.283 6.359 0.438 1.00 0.57 C ATOM 891 CD1 ILE A 60 5.988 3.641 1.779 1.00 0.55 C ATOM 0 H ILE A 60 8.679 6.287 3.751 1.00 0.52 H new ATOM 0 HA ILE A 60 9.019 6.370 0.849 1.00 0.53 H new ATOM 0 HB ILE A 60 6.506 6.266 2.572 1.00 0.51 H new ATOM 0 HG12 ILE A 60 7.851 4.135 0.860 1.00 0.50 H new ATOM 0 HG13 ILE A 60 7.877 4.188 2.611 1.00 0.50 H new ATOM 0 HG21 ILE A 60 5.325 5.839 0.434 1.00 0.57 H new ATOM 0 HG22 ILE A 60 6.112 7.436 0.440 1.00 0.57 H new ATOM 0 HG23 ILE A 60 6.849 6.083 -0.451 1.00 0.57 H new ATOM 0 HD11 ILE A 60 6.220 2.576 1.808 1.00 0.55 H new ATOM 0 HD12 ILE A 60 5.421 3.913 2.669 1.00 0.55 H new ATOM 0 HD13 ILE A 60 5.395 3.860 0.891 1.00 0.55 H new ATOM 903 N PRO A 61 8.834 8.879 0.678 1.00 0.62 N ATOM 904 CA PRO A 61 8.668 10.317 0.482 1.00 0.71 C ATOM 905 C PRO A 61 7.261 10.679 -0.025 1.00 0.65 C ATOM 906 O PRO A 61 6.572 9.852 -0.671 1.00 0.57 O ATOM 907 CB PRO A 61 9.723 10.667 -0.585 1.00 0.78 C ATOM 908 CG PRO A 61 10.613 9.477 -0.657 1.00 0.77 C ATOM 909 CD PRO A 61 9.758 8.306 -0.302 1.00 0.64 C ATOM 0 HA PRO A 61 8.790 10.866 1.416 1.00 0.71 H new ATOM 0 HB2 PRO A 61 9.256 10.869 -1.549 1.00 0.78 H new ATOM 0 HB3 PRO A 61 10.282 11.561 -0.308 1.00 0.78 H new ATOM 0 HG2 PRO A 61 11.035 9.364 -1.656 1.00 0.77 H new ATOM 0 HG3 PRO A 61 11.451 9.573 0.034 1.00 0.77 H new ATOM 0 HD2 PRO A 61 9.234 7.907 -1.170 1.00 0.64 H new ATOM 0 HD3 PRO A 61 10.343 7.489 0.120 1.00 0.64 H new ATOM 917 N ASP A 62 6.877 11.922 0.230 1.00 0.75 N ATOM 918 CA ASP A 62 5.556 12.493 -0.114 1.00 0.78 C ATOM 919 C ASP A 62 5.292 12.367 -1.602 1.00 0.68 C ATOM 920 O ASP A 62 4.194 12.001 -2.028 1.00 0.67 O ATOM 921 CB ASP A 62 5.516 13.999 0.231 1.00 0.99 C ATOM 922 CG ASP A 62 5.902 14.329 1.653 1.00 1.34 C ATOM 923 OD1 ASP A 62 7.121 14.376 1.951 1.00 1.88 O ATOM 924 OD2 ASP A 62 5.021 14.580 2.488 1.00 2.03 O ATOM 0 H ASP A 62 7.487 12.593 0.697 1.00 0.75 H new ATOM 0 HA ASP A 62 4.805 11.945 0.456 1.00 0.78 H new ATOM 0 HB2 ASP A 62 6.185 14.531 -0.446 1.00 0.99 H new ATOM 0 HB3 ASP A 62 4.510 14.374 0.045 1.00 0.99 H new ATOM 929 N ASP A 63 6.336 12.605 -2.386 1.00 0.67 N ATOM 930 CA ASP A 63 6.235 12.612 -3.849 1.00 0.67 C ATOM 931 C ASP A 63 5.991 11.240 -4.383 1.00 0.58 C ATOM 932 O ASP A 63 5.294 11.070 -5.362 1.00 0.60 O ATOM 933 CB ASP A 63 7.510 13.161 -4.511 1.00 0.85 C ATOM 934 CG ASP A 63 7.700 14.648 -4.372 1.00 1.44 C ATOM 935 OD1 ASP A 63 7.091 15.420 -5.151 1.00 1.95 O ATOM 936 OD2 ASP A 63 8.426 15.075 -3.456 1.00 2.23 O ATOM 0 H ASP A 63 7.273 12.798 -2.033 1.00 0.67 H new ATOM 0 HA ASP A 63 5.393 13.262 -4.089 1.00 0.67 H new ATOM 0 HB2 ASP A 63 8.374 12.656 -4.079 1.00 0.85 H new ATOM 0 HB3 ASP A 63 7.490 12.908 -5.571 1.00 0.85 H new ATOM 941 N VAL A 64 6.525 10.254 -3.715 1.00 0.60 N ATOM 942 CA VAL A 64 6.378 8.892 -4.162 1.00 0.64 C ATOM 943 C VAL A 64 4.982 8.409 -3.819 1.00 0.60 C ATOM 944 O VAL A 64 4.264 7.904 -4.677 1.00 0.58 O ATOM 945 CB VAL A 64 7.422 7.965 -3.506 1.00 0.84 C ATOM 946 CG1 VAL A 64 7.273 6.551 -4.033 1.00 0.97 C ATOM 947 CG2 VAL A 64 8.829 8.479 -3.762 1.00 0.98 C ATOM 0 H VAL A 64 7.067 10.366 -2.858 1.00 0.60 H new ATOM 0 HA VAL A 64 6.537 8.863 -5.240 1.00 0.64 H new ATOM 0 HB VAL A 64 7.250 7.957 -2.430 1.00 0.84 H new ATOM 0 HG11 VAL A 64 8.016 5.907 -3.562 1.00 0.97 H new ATOM 0 HG12 VAL A 64 6.274 6.181 -3.804 1.00 0.97 H new ATOM 0 HG13 VAL A 64 7.422 6.548 -5.113 1.00 0.97 H new ATOM 0 HG21 VAL A 64 9.551 7.812 -3.291 1.00 0.98 H new ATOM 0 HG22 VAL A 64 9.014 8.515 -4.836 1.00 0.98 H new ATOM 0 HG23 VAL A 64 8.933 9.480 -3.343 1.00 0.98 H new ATOM 957 N ALA A 65 4.593 8.604 -2.572 1.00 0.72 N ATOM 958 CA ALA A 65 3.286 8.179 -2.083 1.00 0.85 C ATOM 959 C ALA A 65 2.141 8.860 -2.850 1.00 0.80 C ATOM 960 O ALA A 65 1.065 8.282 -3.033 1.00 0.90 O ATOM 961 CB ALA A 65 3.179 8.455 -0.598 1.00 1.09 C ATOM 0 H ALA A 65 5.171 9.061 -1.867 1.00 0.72 H new ATOM 0 HA ALA A 65 3.192 7.107 -2.254 1.00 0.85 H new ATOM 0 HB1 ALA A 65 2.201 8.136 -0.238 1.00 1.09 H new ATOM 0 HB2 ALA A 65 3.958 7.906 -0.069 1.00 1.09 H new ATOM 0 HB3 ALA A 65 3.301 9.523 -0.417 1.00 1.09 H new ATOM 967 N GLY A 66 2.388 10.072 -3.309 1.00 0.73 N ATOM 968 CA GLY A 66 1.397 10.795 -4.057 1.00 0.81 C ATOM 969 C GLY A 66 1.352 10.414 -5.530 1.00 0.73 C ATOM 970 O GLY A 66 0.338 10.644 -6.195 1.00 0.92 O ATOM 0 H GLY A 66 3.268 10.570 -3.173 1.00 0.73 H new ATOM 0 HA2 GLY A 66 0.417 10.617 -3.614 1.00 0.81 H new ATOM 0 HA3 GLY A 66 1.596 11.863 -3.972 1.00 0.81 H new ATOM 974 N ARG A 67 2.423 9.818 -6.051 1.00 0.56 N ATOM 975 CA ARG A 67 2.465 9.487 -7.477 1.00 0.61 C ATOM 976 C ARG A 67 2.044 8.052 -7.756 1.00 0.58 C ATOM 977 O ARG A 67 1.755 7.702 -8.895 1.00 0.79 O ATOM 978 CB ARG A 67 3.836 9.796 -8.115 1.00 0.63 C ATOM 979 CG ARG A 67 5.015 8.953 -7.626 1.00 0.57 C ATOM 980 CD ARG A 67 6.313 9.468 -8.239 1.00 0.87 C ATOM 981 NE ARG A 67 7.508 8.757 -7.754 1.00 1.64 N ATOM 982 CZ ARG A 67 8.656 9.362 -7.372 1.00 2.30 C ATOM 983 NH1 ARG A 67 8.744 10.699 -7.338 1.00 2.40 N ATOM 984 NH2 ARG A 67 9.709 8.627 -7.030 1.00 3.30 N ATOM 0 H ARG A 67 3.256 9.559 -5.523 1.00 0.56 H new ATOM 0 HA ARG A 67 1.731 10.138 -7.952 1.00 0.61 H new ATOM 0 HB2 ARG A 67 3.748 9.668 -9.194 1.00 0.63 H new ATOM 0 HB3 ARG A 67 4.068 10.846 -7.936 1.00 0.63 H new ATOM 0 HG2 ARG A 67 5.075 8.993 -6.538 1.00 0.57 H new ATOM 0 HG3 ARG A 67 4.864 7.908 -7.898 1.00 0.57 H new ATOM 0 HD2 ARG A 67 6.257 9.373 -9.323 1.00 0.87 H new ATOM 0 HD3 ARG A 67 6.415 10.530 -8.017 1.00 0.87 H new ATOM 0 HE ARG A 67 7.467 7.739 -7.703 1.00 1.64 H new ATOM 0 HH11 ARG A 67 7.941 11.270 -7.602 1.00 2.40 H new ATOM 0 HH12 ARG A 67 9.614 11.146 -7.048 1.00 2.40 H new ATOM 0 HH21 ARG A 67 9.650 7.609 -7.056 1.00 3.30 H new ATOM 0 HH22 ARG A 67 10.576 9.081 -6.742 1.00 3.30 H new ATOM 998 N VAL A 68 1.972 7.240 -6.725 1.00 0.45 N ATOM 999 CA VAL A 68 1.565 5.858 -6.898 1.00 0.45 C ATOM 1000 C VAL A 68 0.032 5.762 -6.943 1.00 0.46 C ATOM 1001 O VAL A 68 -0.669 6.062 -5.972 1.00 0.53 O ATOM 1002 CB VAL A 68 2.185 4.917 -5.806 1.00 0.53 C ATOM 1003 CG1 VAL A 68 3.699 4.868 -5.956 1.00 1.45 C ATOM 1004 CG2 VAL A 68 1.823 5.352 -4.387 1.00 0.85 C ATOM 0 H VAL A 68 2.187 7.507 -5.764 1.00 0.45 H new ATOM 0 HA VAL A 68 1.956 5.505 -7.852 1.00 0.45 H new ATOM 0 HB VAL A 68 1.763 3.924 -5.963 1.00 0.53 H new ATOM 0 HG11 VAL A 68 4.119 4.212 -5.193 1.00 1.45 H new ATOM 0 HG12 VAL A 68 3.955 4.486 -6.944 1.00 1.45 H new ATOM 0 HG13 VAL A 68 4.109 5.871 -5.838 1.00 1.45 H new ATOM 0 HG21 VAL A 68 2.277 4.668 -3.670 1.00 0.85 H new ATOM 0 HG22 VAL A 68 2.194 6.362 -4.210 1.00 0.85 H new ATOM 0 HG23 VAL A 68 0.740 5.337 -4.267 1.00 0.85 H new ATOM 1014 N ASP A 69 -0.474 5.408 -8.109 1.00 0.47 N ATOM 1015 CA ASP A 69 -1.921 5.374 -8.362 1.00 0.53 C ATOM 1016 C ASP A 69 -2.502 4.020 -8.017 1.00 0.42 C ATOM 1017 O ASP A 69 -3.700 3.902 -7.691 1.00 0.48 O ATOM 1018 CB ASP A 69 -2.232 5.658 -9.846 1.00 0.71 C ATOM 1019 CG ASP A 69 -1.720 6.989 -10.349 1.00 1.34 C ATOM 1020 OD1 ASP A 69 -2.412 8.020 -10.191 1.00 1.82 O ATOM 1021 OD2 ASP A 69 -0.625 7.031 -10.939 1.00 2.04 O ATOM 0 H ASP A 69 0.095 5.135 -8.911 1.00 0.47 H new ATOM 0 HA ASP A 69 -2.368 6.144 -7.733 1.00 0.53 H new ATOM 0 HB2 ASP A 69 -1.799 4.863 -10.454 1.00 0.71 H new ATOM 0 HB3 ASP A 69 -3.311 5.619 -9.992 1.00 0.71 H new ATOM 1026 N THR A 70 -1.679 3.010 -8.077 1.00 0.35 N ATOM 1027 CA THR A 70 -2.085 1.660 -7.804 1.00 0.29 C ATOM 1028 C THR A 70 -1.090 1.006 -6.841 1.00 0.26 C ATOM 1029 O THR A 70 0.080 1.428 -6.770 1.00 0.29 O ATOM 1030 CB THR A 70 -2.175 0.850 -9.119 1.00 0.37 C ATOM 1031 OG1 THR A 70 -1.032 1.132 -9.932 1.00 0.50 O ATOM 1032 CG2 THR A 70 -3.441 1.178 -9.890 1.00 0.39 C ATOM 0 H THR A 70 -0.693 3.103 -8.321 1.00 0.35 H new ATOM 0 HA THR A 70 -3.071 1.672 -7.340 1.00 0.29 H new ATOM 0 HB THR A 70 -2.201 -0.209 -8.863 1.00 0.37 H new ATOM 0 HG1 THR A 70 -1.307 1.201 -10.870 1.00 0.50 H new ATOM 0 HG21 THR A 70 -3.471 0.591 -10.808 1.00 0.39 H new ATOM 0 HG22 THR A 70 -4.311 0.940 -9.279 1.00 0.39 H new ATOM 0 HG23 THR A 70 -3.451 2.239 -10.138 1.00 0.39 H new ATOM 1040 N PRO A 71 -1.537 -0.003 -6.052 1.00 0.27 N ATOM 1041 CA PRO A 71 -0.686 -0.710 -5.085 1.00 0.31 C ATOM 1042 C PRO A 71 0.544 -1.326 -5.736 1.00 0.32 C ATOM 1043 O PRO A 71 1.584 -1.438 -5.103 1.00 0.37 O ATOM 1044 CB PRO A 71 -1.599 -1.803 -4.528 1.00 0.34 C ATOM 1045 CG PRO A 71 -2.967 -1.270 -4.726 1.00 0.34 C ATOM 1046 CD PRO A 71 -2.920 -0.512 -6.015 1.00 0.30 C ATOM 0 HA PRO A 71 -0.297 -0.035 -4.322 1.00 0.31 H new ATOM 0 HB2 PRO A 71 -1.459 -2.746 -5.056 1.00 0.34 H new ATOM 0 HB3 PRO A 71 -1.395 -1.994 -3.475 1.00 0.34 H new ATOM 0 HG2 PRO A 71 -3.699 -2.076 -4.772 1.00 0.34 H new ATOM 0 HG3 PRO A 71 -3.258 -0.621 -3.900 1.00 0.34 H new ATOM 0 HD2 PRO A 71 -3.136 -1.154 -6.869 1.00 0.30 H new ATOM 0 HD3 PRO A 71 -3.649 0.298 -6.033 1.00 0.30 H new ATOM 1054 N ARG A 72 0.405 -1.721 -7.002 1.00 0.32 N ATOM 1055 CA ARG A 72 1.504 -2.275 -7.808 1.00 0.38 C ATOM 1056 C ARG A 72 2.703 -1.324 -7.779 1.00 0.35 C ATOM 1057 O ARG A 72 3.836 -1.724 -7.543 1.00 0.36 O ATOM 1058 CB ARG A 72 1.049 -2.399 -9.249 1.00 0.45 C ATOM 1059 CG ARG A 72 1.996 -3.166 -10.159 1.00 0.88 C ATOM 1060 CD ARG A 72 1.742 -2.819 -11.617 1.00 0.81 C ATOM 1061 NE ARG A 72 0.317 -2.875 -11.975 1.00 0.86 N ATOM 1062 CZ ARG A 72 -0.425 -1.806 -12.350 1.00 1.05 C ATOM 1063 NH1 ARG A 72 0.079 -0.569 -12.282 1.00 1.48 N ATOM 1064 NH2 ARG A 72 -1.673 -1.967 -12.758 1.00 1.55 N ATOM 0 H ARG A 72 -0.480 -1.667 -7.506 1.00 0.32 H new ATOM 0 HA ARG A 72 1.784 -3.247 -7.401 1.00 0.38 H new ATOM 0 HB2 ARG A 72 0.076 -2.890 -9.266 1.00 0.45 H new ATOM 0 HB3 ARG A 72 0.908 -1.398 -9.657 1.00 0.45 H new ATOM 0 HG2 ARG A 72 3.028 -2.931 -9.899 1.00 0.88 H new ATOM 0 HG3 ARG A 72 1.865 -4.237 -10.007 1.00 0.88 H new ATOM 0 HD2 ARG A 72 2.124 -1.818 -11.820 1.00 0.81 H new ATOM 0 HD3 ARG A 72 2.299 -3.508 -12.252 1.00 0.81 H new ATOM 0 HE ARG A 72 -0.145 -3.783 -11.938 1.00 0.86 H new ATOM 0 HH11 ARG A 72 1.031 -0.424 -11.945 1.00 1.48 H new ATOM 0 HH12 ARG A 72 -0.488 0.229 -12.567 1.00 1.48 H new ATOM 0 HH21 ARG A 72 -2.082 -2.901 -12.792 1.00 1.55 H new ATOM 0 HH22 ARG A 72 -2.226 -1.157 -13.039 1.00 1.55 H new ATOM 1078 N GLU A 73 2.405 -0.062 -7.999 1.00 0.34 N ATOM 1079 CA GLU A 73 3.394 0.994 -8.080 1.00 0.36 C ATOM 1080 C GLU A 73 4.059 1.216 -6.728 1.00 0.32 C ATOM 1081 O GLU A 73 5.268 1.451 -6.636 1.00 0.35 O ATOM 1082 CB GLU A 73 2.707 2.267 -8.532 1.00 0.42 C ATOM 1083 CG GLU A 73 1.905 2.112 -9.812 1.00 0.60 C ATOM 1084 CD GLU A 73 2.735 1.680 -10.979 1.00 1.37 C ATOM 1085 OE1 GLU A 73 3.670 2.416 -11.386 1.00 1.78 O ATOM 1086 OE2 GLU A 73 2.494 0.579 -11.503 1.00 2.18 O ATOM 0 H GLU A 73 1.448 0.267 -8.130 1.00 0.34 H new ATOM 0 HA GLU A 73 4.167 0.710 -8.794 1.00 0.36 H new ATOM 0 HB2 GLU A 73 2.044 2.612 -7.739 1.00 0.42 H new ATOM 0 HB3 GLU A 73 3.459 3.042 -8.678 1.00 0.42 H new ATOM 0 HG2 GLU A 73 1.111 1.383 -9.650 1.00 0.60 H new ATOM 0 HG3 GLU A 73 1.423 3.061 -10.048 1.00 0.60 H new ATOM 1093 N LEU A 74 3.262 1.146 -5.683 1.00 0.31 N ATOM 1094 CA LEU A 74 3.753 1.310 -4.328 1.00 0.32 C ATOM 1095 C LEU A 74 4.663 0.107 -3.993 1.00 0.30 C ATOM 1096 O LEU A 74 5.716 0.257 -3.365 1.00 0.31 O ATOM 1097 CB LEU A 74 2.537 1.448 -3.358 1.00 0.36 C ATOM 1098 CG LEU A 74 2.789 1.869 -1.881 1.00 0.39 C ATOM 1099 CD1 LEU A 74 3.404 0.753 -1.052 1.00 0.44 C ATOM 1100 CD2 LEU A 74 3.657 3.126 -1.817 1.00 0.44 C ATOM 0 H LEU A 74 2.259 0.974 -5.746 1.00 0.31 H new ATOM 0 HA LEU A 74 4.349 2.216 -4.219 1.00 0.32 H new ATOM 0 HB2 LEU A 74 1.850 2.174 -3.794 1.00 0.36 H new ATOM 0 HB3 LEU A 74 2.019 0.489 -3.342 1.00 0.36 H new ATOM 0 HG LEU A 74 1.814 2.089 -1.446 1.00 0.39 H new ATOM 0 HD11 LEU A 74 3.558 1.101 -0.031 1.00 0.44 H new ATOM 0 HD12 LEU A 74 2.734 -0.107 -1.045 1.00 0.44 H new ATOM 0 HD13 LEU A 74 4.361 0.463 -1.485 1.00 0.44 H new ATOM 0 HD21 LEU A 74 3.821 3.403 -0.775 1.00 0.44 H new ATOM 0 HD22 LEU A 74 4.617 2.930 -2.296 1.00 0.44 H new ATOM 0 HD23 LEU A 74 3.153 3.943 -2.334 1.00 0.44 H new ATOM 1112 N LEU A 75 4.248 -1.064 -4.463 1.00 0.29 N ATOM 1113 CA LEU A 75 4.996 -2.310 -4.321 1.00 0.30 C ATOM 1114 C LEU A 75 6.399 -2.157 -4.927 1.00 0.29 C ATOM 1115 O LEU A 75 7.394 -2.614 -4.339 1.00 0.30 O ATOM 1116 CB LEU A 75 4.230 -3.447 -5.011 1.00 0.33 C ATOM 1117 CG LEU A 75 4.800 -4.849 -4.879 1.00 0.37 C ATOM 1118 CD1 LEU A 75 4.793 -5.286 -3.431 1.00 0.41 C ATOM 1119 CD2 LEU A 75 4.002 -5.817 -5.729 1.00 0.45 C ATOM 0 H LEU A 75 3.366 -1.177 -4.963 1.00 0.29 H new ATOM 0 HA LEU A 75 5.106 -2.548 -3.263 1.00 0.30 H new ATOM 0 HB2 LEU A 75 3.214 -3.457 -4.617 1.00 0.33 H new ATOM 0 HB3 LEU A 75 4.158 -3.210 -6.073 1.00 0.33 H new ATOM 0 HG LEU A 75 5.832 -4.843 -5.231 1.00 0.37 H new ATOM 0 HD11 LEU A 75 5.204 -6.292 -3.353 1.00 0.41 H new ATOM 0 HD12 LEU A 75 5.400 -4.599 -2.841 1.00 0.41 H new ATOM 0 HD13 LEU A 75 3.770 -5.282 -3.055 1.00 0.41 H new ATOM 0 HD21 LEU A 75 4.419 -6.819 -5.627 1.00 0.45 H new ATOM 0 HD22 LEU A 75 2.963 -5.821 -5.398 1.00 0.45 H new ATOM 0 HD23 LEU A 75 4.049 -5.509 -6.773 1.00 0.45 H new ATOM 1131 N ASP A 76 6.465 -1.485 -6.095 1.00 0.31 N ATOM 1132 CA ASP A 76 7.748 -1.174 -6.770 1.00 0.34 C ATOM 1133 C ASP A 76 8.678 -0.446 -5.835 1.00 0.32 C ATOM 1134 O ASP A 76 9.853 -0.812 -5.698 1.00 0.34 O ATOM 1135 CB ASP A 76 7.566 -0.275 -8.015 1.00 0.45 C ATOM 1136 CG ASP A 76 7.047 -0.964 -9.244 1.00 0.78 C ATOM 1137 OD1 ASP A 76 7.740 -1.826 -9.806 1.00 0.90 O ATOM 1138 OD2 ASP A 76 5.882 -0.724 -9.614 1.00 1.25 O ATOM 0 H ASP A 76 5.643 -1.145 -6.594 1.00 0.31 H new ATOM 0 HA ASP A 76 8.160 -2.136 -7.075 1.00 0.34 H new ATOM 0 HB2 ASP A 76 6.883 0.535 -7.759 1.00 0.45 H new ATOM 0 HB3 ASP A 76 8.526 0.181 -8.255 1.00 0.45 H new ATOM 1143 N LEU A 77 8.138 0.568 -5.173 1.00 0.32 N ATOM 1144 CA LEU A 77 8.906 1.395 -4.260 1.00 0.36 C ATOM 1145 C LEU A 77 9.404 0.565 -3.097 1.00 0.34 C ATOM 1146 O LEU A 77 10.573 0.614 -2.770 1.00 0.40 O ATOM 1147 CB LEU A 77 8.068 2.626 -3.790 1.00 0.41 C ATOM 1148 CG LEU A 77 8.742 3.696 -2.866 1.00 0.53 C ATOM 1149 CD1 LEU A 77 8.914 3.229 -1.422 1.00 0.94 C ATOM 1150 CD2 LEU A 77 10.082 4.146 -3.441 1.00 1.35 C ATOM 0 H LEU A 77 7.158 0.838 -5.255 1.00 0.32 H new ATOM 0 HA LEU A 77 9.779 1.786 -4.782 1.00 0.36 H new ATOM 0 HB2 LEU A 77 7.710 3.140 -4.682 1.00 0.41 H new ATOM 0 HB3 LEU A 77 7.190 2.246 -3.267 1.00 0.41 H new ATOM 0 HG LEU A 77 8.057 4.544 -2.840 1.00 0.53 H new ATOM 0 HD11 LEU A 77 9.387 4.019 -0.838 1.00 0.94 H new ATOM 0 HD12 LEU A 77 7.938 2.997 -0.996 1.00 0.94 H new ATOM 0 HD13 LEU A 77 9.540 2.337 -1.400 1.00 0.94 H new ATOM 0 HD21 LEU A 77 10.530 4.889 -2.781 1.00 1.35 H new ATOM 0 HD22 LEU A 77 10.748 3.287 -3.526 1.00 1.35 H new ATOM 0 HD23 LEU A 77 9.926 4.583 -4.427 1.00 1.35 H new ATOM 1162 N ILE A 78 8.529 -0.241 -2.519 1.00 0.30 N ATOM 1163 CA ILE A 78 8.898 -1.042 -1.354 1.00 0.32 C ATOM 1164 C ILE A 78 9.963 -2.060 -1.726 1.00 0.33 C ATOM 1165 O ILE A 78 10.961 -2.183 -1.038 1.00 0.39 O ATOM 1166 CB ILE A 78 7.675 -1.772 -0.730 1.00 0.33 C ATOM 1167 CG1 ILE A 78 6.605 -0.761 -0.292 1.00 0.36 C ATOM 1168 CG2 ILE A 78 8.107 -2.637 0.461 1.00 0.38 C ATOM 1169 CD1 ILE A 78 7.067 0.232 0.760 1.00 0.42 C ATOM 0 H ILE A 78 7.565 -0.361 -2.831 1.00 0.30 H new ATOM 0 HA ILE A 78 9.292 -0.353 -0.607 1.00 0.32 H new ATOM 0 HB ILE A 78 7.246 -2.423 -1.492 1.00 0.33 H new ATOM 0 HG12 ILE A 78 6.264 -0.210 -1.168 1.00 0.36 H new ATOM 0 HG13 ILE A 78 5.745 -1.307 0.095 1.00 0.36 H new ATOM 0 HG21 ILE A 78 7.235 -3.138 0.882 1.00 0.38 H new ATOM 0 HG22 ILE A 78 8.828 -3.383 0.126 1.00 0.38 H new ATOM 0 HG23 ILE A 78 8.565 -2.005 1.222 1.00 0.38 H new ATOM 0 HD11 ILE A 78 6.248 0.906 1.009 1.00 0.42 H new ATOM 0 HD12 ILE A 78 7.379 -0.305 1.655 1.00 0.42 H new ATOM 0 HD13 ILE A 78 7.907 0.809 0.372 1.00 0.42 H new ATOM 1181 N ASN A 79 9.763 -2.757 -2.833 1.00 0.33 N ATOM 1182 CA ASN A 79 10.729 -3.765 -3.289 1.00 0.38 C ATOM 1183 C ASN A 79 12.089 -3.129 -3.573 1.00 0.38 C ATOM 1184 O ASN A 79 13.130 -3.689 -3.216 1.00 0.42 O ATOM 1185 CB ASN A 79 10.211 -4.544 -4.526 1.00 0.46 C ATOM 1186 CG ASN A 79 9.187 -5.655 -4.211 1.00 0.57 C ATOM 1187 OD1 ASN A 79 9.087 -6.645 -4.942 1.00 1.18 O ATOM 1188 ND2 ASN A 79 8.449 -5.528 -3.133 1.00 0.82 N ATOM 0 H ASN A 79 8.947 -2.650 -3.436 1.00 0.33 H new ATOM 0 HA ASN A 79 10.851 -4.486 -2.481 1.00 0.38 H new ATOM 0 HB2 ASN A 79 9.756 -3.836 -5.219 1.00 0.46 H new ATOM 0 HB3 ASN A 79 11.063 -4.990 -5.040 1.00 0.46 H new ATOM 0 HD21 ASN A 79 7.778 -6.255 -2.886 1.00 0.82 H new ATOM 0 HD22 ASN A 79 8.547 -4.702 -2.542 1.00 0.82 H new ATOM 1195 N GLY A 80 12.071 -1.938 -4.164 1.00 0.38 N ATOM 1196 CA GLY A 80 13.302 -1.224 -4.440 1.00 0.46 C ATOM 1197 C GLY A 80 13.945 -0.690 -3.171 1.00 0.50 C ATOM 1198 O GLY A 80 15.162 -0.734 -3.013 1.00 0.62 O ATOM 0 H GLY A 80 11.222 -1.454 -4.457 1.00 0.38 H new ATOM 0 HA2 GLY A 80 14.000 -1.888 -4.949 1.00 0.46 H new ATOM 0 HA3 GLY A 80 13.097 -0.396 -5.119 1.00 0.46 H new ATOM 1202 N ALA A 81 13.121 -0.231 -2.242 1.00 0.47 N ATOM 1203 CA ALA A 81 13.585 0.330 -0.976 1.00 0.57 C ATOM 1204 C ALA A 81 14.138 -0.749 -0.056 1.00 0.62 C ATOM 1205 O ALA A 81 14.914 -0.462 0.846 1.00 0.80 O ATOM 1206 CB ALA A 81 12.465 1.086 -0.282 1.00 0.59 C ATOM 0 H ALA A 81 12.106 -0.236 -2.342 1.00 0.47 H new ATOM 0 HA ALA A 81 14.393 1.026 -1.203 1.00 0.57 H new ATOM 0 HB1 ALA A 81 12.831 1.496 0.659 1.00 0.59 H new ATOM 0 HB2 ALA A 81 12.123 1.898 -0.923 1.00 0.59 H new ATOM 0 HB3 ALA A 81 11.636 0.407 -0.083 1.00 0.59 H new ATOM 1212 N LEU A 82 13.752 -1.989 -0.300 1.00 0.54 N ATOM 1213 CA LEU A 82 14.234 -3.113 0.487 1.00 0.61 C ATOM 1214 C LEU A 82 15.662 -3.491 0.152 1.00 0.74 C ATOM 1215 O LEU A 82 16.277 -4.286 0.866 1.00 0.89 O ATOM 1216 CB LEU A 82 13.312 -4.328 0.377 1.00 0.54 C ATOM 1217 CG LEU A 82 11.942 -4.169 1.021 1.00 0.58 C ATOM 1218 CD1 LEU A 82 11.126 -5.432 0.866 1.00 0.63 C ATOM 1219 CD2 LEU A 82 12.089 -3.804 2.483 1.00 0.68 C ATOM 0 H LEU A 82 13.101 -2.245 -1.042 1.00 0.54 H new ATOM 0 HA LEU A 82 14.224 -2.776 1.524 1.00 0.61 H new ATOM 0 HB2 LEU A 82 13.173 -4.563 -0.678 1.00 0.54 H new ATOM 0 HB3 LEU A 82 13.811 -5.184 0.831 1.00 0.54 H new ATOM 0 HG LEU A 82 11.414 -3.362 0.513 1.00 0.58 H new ATOM 0 HD11 LEU A 82 10.151 -5.295 1.334 1.00 0.63 H new ATOM 0 HD12 LEU A 82 10.993 -5.651 -0.193 1.00 0.63 H new ATOM 0 HD13 LEU A 82 11.645 -6.262 1.346 1.00 0.63 H new ATOM 0 HD21 LEU A 82 11.102 -3.693 2.931 1.00 0.68 H new ATOM 0 HD22 LEU A 82 12.637 -4.591 3.001 1.00 0.68 H new ATOM 0 HD23 LEU A 82 12.635 -2.864 2.570 1.00 0.68 H new ATOM 1231 N ALA A 83 16.197 -2.919 -0.919 1.00 0.83 N ATOM 1232 CA ALA A 83 17.580 -3.164 -1.294 1.00 1.07 C ATOM 1233 C ALA A 83 18.493 -2.658 -0.185 1.00 1.28 C ATOM 1234 O ALA A 83 19.342 -3.387 0.322 1.00 1.46 O ATOM 1235 CB ALA A 83 17.907 -2.487 -2.618 1.00 1.27 C ATOM 0 H ALA A 83 15.695 -2.285 -1.540 1.00 0.83 H new ATOM 0 HA ALA A 83 17.735 -4.235 -1.426 1.00 1.07 H new ATOM 0 HB1 ALA A 83 18.947 -2.683 -2.880 1.00 1.27 H new ATOM 0 HB2 ALA A 83 17.256 -2.881 -3.398 1.00 1.27 H new ATOM 0 HB3 ALA A 83 17.753 -1.412 -2.525 1.00 1.27 H new ATOM 1241 N GLU A 84 18.275 -1.424 0.217 1.00 1.34 N ATOM 1242 CA GLU A 84 19.026 -0.833 1.299 1.00 1.64 C ATOM 1243 C GLU A 84 18.294 -1.079 2.617 1.00 1.75 C ATOM 1244 O GLU A 84 18.908 -1.076 3.688 1.00 2.12 O ATOM 1245 CB GLU A 84 19.128 0.668 1.080 1.00 1.67 C ATOM 1246 CG GLU A 84 20.113 1.374 1.990 1.00 1.99 C ATOM 1247 CD GLU A 84 21.527 1.029 1.643 1.00 2.14 C ATOM 1248 OE1 GLU A 84 22.045 0.041 2.198 1.00 2.82 O ATOM 1249 OE2 GLU A 84 22.162 1.746 0.837 1.00 2.25 O ATOM 0 H GLU A 84 17.576 -0.807 -0.196 1.00 1.34 H new ATOM 0 HA GLU A 84 20.021 -1.278 1.332 1.00 1.64 H new ATOM 0 HB2 GLU A 84 19.414 0.852 0.044 1.00 1.67 H new ATOM 0 HB3 GLU A 84 18.142 1.110 1.221 1.00 1.67 H new ATOM 0 HG2 GLU A 84 19.972 2.452 1.914 1.00 1.99 H new ATOM 0 HG3 GLU A 84 19.914 1.099 3.026 1.00 1.99 H new ATOM 1256 N ALA A 85 16.978 -1.311 2.499 1.00 1.60 N ATOM 1257 CA ALA A 85 16.050 -1.432 3.625 1.00 1.87 C ATOM 1258 C ALA A 85 15.899 -0.056 4.257 1.00 2.41 C ATOM 1259 O ALA A 85 15.973 0.107 5.476 1.00 2.97 O ATOM 1260 CB ALA A 85 16.480 -2.505 4.642 1.00 2.27 C ATOM 0 H ALA A 85 16.522 -1.422 1.593 1.00 1.60 H new ATOM 0 HA ALA A 85 15.082 -1.777 3.260 1.00 1.87 H new ATOM 0 HB1 ALA A 85 15.754 -2.549 5.454 1.00 2.27 H new ATOM 0 HB2 ALA A 85 16.531 -3.475 4.148 1.00 2.27 H new ATOM 0 HB3 ALA A 85 17.460 -2.252 5.046 1.00 2.27 H new ATOM 1266 N ALA A 86 15.711 0.924 3.383 1.00 2.92 N ATOM 1267 CA ALA A 86 15.574 2.318 3.725 1.00 3.83 C ATOM 1268 C ALA A 86 15.014 3.055 2.518 1.00 4.59 C ATOM 1269 O ALA A 86 13.866 3.556 2.565 1.00 5.16 O ATOM 1270 CB ALA A 86 16.922 2.914 4.127 1.00 4.34 C ATOM 1271 OXT ALA A 86 15.697 3.092 1.478 1.00 4.98 O ATOM 0 H ALA A 86 15.649 0.754 2.379 1.00 2.92 H new ATOM 0 HA ALA A 86 14.899 2.420 4.575 1.00 3.83 H new ATOM 0 HB1 ALA A 86 16.793 3.966 4.381 1.00 4.34 H new ATOM 0 HB2 ALA A 86 17.314 2.378 4.991 1.00 4.34 H new ATOM 0 HB3 ALA A 86 17.622 2.824 3.296 1.00 4.34 H new TER 1277 ALA A 86 HETATM 1278 P24 SXH A 87 -5.743 12.940 0.922 1.00 1.09 P HETATM 1279 O26 SXH A 87 -5.530 13.617 -0.455 1.00 1.22 O HETATM 1280 O23 SXH A 87 -6.997 13.336 1.760 1.00 1.42 O HETATM 1281 O27 SXH A 87 -4.488 13.243 1.761 1.00 1.10 O HETATM 1282 C28 SXH A 87 -4.362 12.687 3.112 1.00 1.13 C HETATM 1283 C29 SXH A 87 -3.067 13.170 3.774 1.00 1.27 C HETATM 1284 C30 SXH A 87 -2.893 12.340 5.030 1.00 1.36 C HETATM 1285 C31 SXH A 87 -1.876 12.917 2.835 1.00 1.28 C HETATM 1286 C32 SXH A 87 -3.182 14.737 4.093 1.00 1.57 C HETATM 1287 O33 SXH A 87 -3.399 15.479 2.881 1.00 1.62 O HETATM 1288 C34 SXH A 87 -1.909 15.289 4.727 1.00 1.82 C HETATM 1289 O35 SXH A 87 -1.086 15.890 4.028 1.00 2.00 O HETATM 1290 N36 SXH A 87 -1.758 15.101 6.008 1.00 1.99 N HETATM 1291 C37 SXH A 87 -0.616 15.569 6.783 1.00 2.29 C HETATM 1292 C38 SXH A 87 -0.226 14.605 7.911 1.00 2.49 C HETATM 1293 C39 SXH A 87 0.458 13.301 7.473 1.00 2.41 C HETATM 1294 O40 SXH A 87 0.438 12.304 8.202 1.00 2.91 O HETATM 1295 N41 SXH A 87 1.067 13.325 6.294 1.00 2.12 N HETATM 1296 C42 SXH A 87 1.780 12.193 5.704 1.00 2.36 C HETATM 1297 C43 SXH A 87 2.317 12.524 4.313 1.00 2.13 C HETATM 1298 S1 SXH A 87 3.308 11.219 3.739 1.00 1.95 S HETATM 1299 C1 SXH A 87 2.105 9.966 3.645 1.00 1.93 C HETATM 1300 O1 SXH A 87 2.180 8.892 4.258 1.00 2.69 O HETATM 1301 C2 SXH A 87 0.937 10.262 2.704 1.00 1.85 C HETATM 1302 C3 SXH A 87 0.635 9.103 1.763 1.00 2.13 C HETATM 1303 C4 SXH A 87 -0.496 9.421 0.787 1.00 2.00 C HETATM 1304 C5 SXH A 87 -0.128 10.566 -0.150 1.00 2.32 C HETATM 1305 C6 SXH A 87 -1.244 10.792 -1.142 1.00 2.32 C HETATM 0 HO33 SXH A 87 -3.833 14.903 2.218 1.00 1.62 H new HETATM 0 HN41 SXH A 87 1.035 14.195 5.762 1.00 2.12 H new HETATM 0 HN36 SXH A 87 -2.490 14.591 6.502 1.00 1.99 H new HETATM 0 H43A SXH A 87 1.489 12.694 3.625 1.00 2.13 H new HETATM 0 H42A SXH A 87 2.607 11.905 6.354 1.00 2.36 H new HETATM 0 H38A SXH A 87 0.440 15.129 8.597 1.00 2.49 H new HETATM 0 H37A SXH A 87 0.237 15.706 6.118 1.00 2.29 H new HETATM 0 H31B SXH A 87 -1.797 11.850 2.626 1.00 1.28 H new HETATM 0 H31A SXH A 87 -2.027 13.459 1.902 1.00 1.28 H new HETATM 0 H30B SXH A 87 -3.748 12.493 5.688 1.00 1.36 H new HETATM 0 H30A SXH A 87 -2.825 11.285 4.763 1.00 1.36 H new HETATM 0 H28A SXH A 87 -5.219 12.986 3.716 1.00 1.13 H new HETATM 0 H6B SXH A 87 -1.401 9.885 -1.725 1.00 2.32 H new HETATM 0 H6A SXH A 87 -2.160 11.043 -0.608 1.00 2.32 H new HETATM 0 H6 SXH A 87 -0.977 11.611 -1.810 1.00 2.32 H new HETATM 0 H5A SXH A 87 0.051 11.475 0.424 1.00 2.32 H new HETATM 0 H5 SXH A 87 0.798 10.334 -0.676 1.00 2.32 H new HETATM 0 H4A SXH A 87 -0.731 8.533 0.201 1.00 2.00 H new HETATM 0 H43 SXH A 87 2.898 13.446 4.347 1.00 2.13 H new HETATM 0 H42 SXH A 87 1.111 11.335 5.641 1.00 2.36 H new HETATM 0 H4 SXH A 87 -1.395 9.682 1.345 1.00 2.00 H new HETATM 0 H3A SXH A 87 1.535 8.851 1.202 1.00 2.13 H new HETATM 0 H38 SXH A 87 -1.125 14.350 8.472 1.00 2.49 H new HETATM 0 H37 SXH A 87 -0.848 16.545 7.210 1.00 2.29 H new HETATM 0 H32 SXH A 87 -4.017 14.847 4.785 1.00 1.57 H new HETATM 0 H31 SXH A 87 -0.958 13.262 3.311 1.00 1.28 H new HETATM 0 H30 SXH A 87 -1.981 12.644 5.544 1.00 1.36 H new HETATM 0 H3 SXH A 87 0.368 8.224 2.349 1.00 2.13 H new HETATM 0 H2A SXH A 87 0.048 10.488 3.294 1.00 1.85 H new HETATM 0 H28 SXH A 87 -4.369 11.598 3.065 1.00 1.13 H new HETATM 0 H2 SXH A 87 1.165 11.152 2.117 1.00 1.85 H new