USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 528 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 SER OG : rot 85:sc= 1.02 USER MOD Set 1.2: A 48 THR OG1 : rot 70:sc= 0.285 USER MOD Single : A 6 THR OG1 : rot -67:sc= 1.17 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0106 USER MOD Single : A 40 TYR OH : rot 11:sc= -0.402 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 164:sc= -4.91! (180deg=-5.5!) USER MOD Single : A 54 SER OG : rot 180:sc= 0.0194 USER MOD Single : A 56 TYR OH : rot -85:sc= 0.022 USER MOD Single : A 59 SER OG : rot 26:sc= 0.831 USER MOD Single : A 70 THR OG1 : rot -12:sc= 0.582 USER MOD Single : A 79 ASN : amide:sc= 1.05 K(o=1,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 12.579 -6.019 -0.467 1.00 0.66 N ATOM 45 CA LEU A 4 11.423 -5.832 -1.361 1.00 0.56 C ATOM 46 C LEU A 4 10.185 -6.547 -0.821 1.00 0.50 C ATOM 47 O LEU A 4 10.265 -7.690 -0.319 1.00 0.76 O ATOM 48 CB LEU A 4 11.745 -6.335 -2.779 1.00 0.65 C ATOM 49 CG LEU A 4 12.929 -5.669 -3.495 1.00 0.79 C ATOM 50 CD1 LEU A 4 13.139 -6.291 -4.865 1.00 0.96 C ATOM 51 CD2 LEU A 4 12.710 -4.172 -3.625 1.00 0.86 C ATOM 0 HA LEU A 4 11.210 -4.764 -1.406 1.00 0.56 H new ATOM 0 HB2 LEU A 4 11.940 -7.406 -2.724 1.00 0.65 H new ATOM 0 HB3 LEU A 4 10.856 -6.204 -3.397 1.00 0.65 H new ATOM 0 HG LEU A 4 13.824 -5.833 -2.895 1.00 0.79 H new ATOM 0 HD11 LEU A 4 13.982 -5.807 -5.359 1.00 0.96 H new ATOM 0 HD12 LEU A 4 13.346 -7.355 -4.754 1.00 0.96 H new ATOM 0 HD13 LEU A 4 12.240 -6.157 -5.467 1.00 0.96 H new ATOM 0 HD21 LEU A 4 13.562 -3.723 -4.135 1.00 0.86 H new ATOM 0 HD22 LEU A 4 11.803 -3.986 -4.200 1.00 0.86 H new ATOM 0 HD23 LEU A 4 12.608 -3.732 -2.633 1.00 0.86 H new ATOM 63 N LEU A 5 9.069 -5.891 -0.933 1.00 0.36 N ATOM 64 CA LEU A 5 7.853 -6.352 -0.345 1.00 0.36 C ATOM 65 C LEU A 5 7.092 -7.211 -1.295 1.00 0.39 C ATOM 66 O LEU A 5 7.239 -7.098 -2.522 1.00 0.52 O ATOM 67 CB LEU A 5 6.974 -5.187 0.096 1.00 0.42 C ATOM 68 CG LEU A 5 7.578 -4.210 1.093 1.00 0.51 C ATOM 69 CD1 LEU A 5 6.513 -3.253 1.586 1.00 0.61 C ATOM 70 CD2 LEU A 5 8.232 -4.942 2.252 1.00 0.54 C ATOM 0 H LEU A 5 8.979 -5.011 -1.441 1.00 0.36 H new ATOM 0 HA LEU A 5 8.124 -6.940 0.531 1.00 0.36 H new ATOM 0 HB2 LEU A 5 6.681 -4.628 -0.792 1.00 0.42 H new ATOM 0 HB3 LEU A 5 6.062 -5.596 0.531 1.00 0.42 H new ATOM 0 HG LEU A 5 8.357 -3.638 0.589 1.00 0.51 H new ATOM 0 HD11 LEU A 5 6.952 -2.556 2.300 1.00 0.61 H new ATOM 0 HD12 LEU A 5 6.104 -2.698 0.742 1.00 0.61 H new ATOM 0 HD13 LEU A 5 5.715 -3.815 2.072 1.00 0.61 H new ATOM 0 HD21 LEU A 5 8.655 -4.217 2.948 1.00 0.54 H new ATOM 0 HD22 LEU A 5 7.486 -5.548 2.767 1.00 0.54 H new ATOM 0 HD23 LEU A 5 9.025 -5.587 1.874 1.00 0.54 H new ATOM 82 N THR A 6 6.303 -8.061 -0.740 1.00 0.36 N ATOM 83 CA THR A 6 5.497 -8.945 -1.484 1.00 0.41 C ATOM 84 C THR A 6 4.034 -8.513 -1.408 1.00 0.30 C ATOM 85 O THR A 6 3.706 -7.487 -0.774 1.00 0.24 O ATOM 86 CB THR A 6 5.650 -10.384 -0.952 1.00 0.56 C ATOM 87 OG1 THR A 6 5.339 -10.418 0.461 1.00 0.59 O ATOM 88 CG2 THR A 6 7.068 -10.903 -1.172 1.00 0.79 C ATOM 0 H THR A 6 6.202 -8.159 0.270 1.00 0.36 H new ATOM 0 HA THR A 6 5.820 -8.919 -2.525 1.00 0.41 H new ATOM 0 HB THR A 6 4.959 -11.024 -1.500 1.00 0.56 H new ATOM 0 HG1 THR A 6 6.024 -9.924 0.959 1.00 0.59 H new ATOM 0 HG21 THR A 6 7.147 -11.920 -0.787 1.00 0.79 H new ATOM 0 HG22 THR A 6 7.295 -10.900 -2.238 1.00 0.79 H new ATOM 0 HG23 THR A 6 7.776 -10.261 -0.648 1.00 0.79 H new ATOM 96 N THR A 7 3.178 -9.286 -2.028 1.00 0.33 N ATOM 97 CA THR A 7 1.752 -9.104 -2.000 1.00 0.32 C ATOM 98 C THR A 7 1.252 -9.064 -0.541 1.00 0.24 C ATOM 99 O THR A 7 0.502 -8.161 -0.153 1.00 0.26 O ATOM 100 CB THR A 7 1.121 -10.280 -2.760 1.00 0.44 C ATOM 101 OG1 THR A 7 1.739 -10.353 -4.065 1.00 0.55 O ATOM 102 CG2 THR A 7 -0.380 -10.101 -2.910 1.00 0.55 C ATOM 0 H THR A 7 3.468 -10.089 -2.586 1.00 0.33 H new ATOM 0 HA THR A 7 1.472 -8.161 -2.470 1.00 0.32 H new ATOM 0 HB THR A 7 1.287 -11.201 -2.200 1.00 0.44 H new ATOM 0 HG1 THR A 7 1.352 -11.099 -4.569 1.00 0.55 H new ATOM 0 HG21 THR A 7 -0.795 -10.950 -3.452 1.00 0.55 H new ATOM 0 HG22 THR A 7 -0.840 -10.040 -1.923 1.00 0.55 H new ATOM 0 HG23 THR A 7 -0.584 -9.183 -3.462 1.00 0.55 H new ATOM 110 N ASP A 8 1.713 -10.022 0.260 1.00 0.28 N ATOM 111 CA ASP A 8 1.300 -10.133 1.656 1.00 0.31 C ATOM 112 C ASP A 8 1.751 -8.936 2.485 1.00 0.24 C ATOM 113 O ASP A 8 1.035 -8.505 3.371 1.00 0.28 O ATOM 114 CB ASP A 8 1.794 -11.427 2.294 1.00 0.46 C ATOM 115 CG ASP A 8 1.204 -11.648 3.677 1.00 0.94 C ATOM 116 OD1 ASP A 8 0.090 -12.211 3.773 1.00 1.01 O ATOM 117 OD2 ASP A 8 1.847 -11.290 4.700 1.00 1.61 O ATOM 0 H ASP A 8 2.377 -10.737 -0.037 1.00 0.28 H new ATOM 0 HA ASP A 8 0.210 -10.148 1.649 1.00 0.31 H new ATOM 0 HB2 ASP A 8 1.535 -12.269 1.652 1.00 0.46 H new ATOM 0 HB3 ASP A 8 2.881 -11.403 2.365 1.00 0.46 H new ATOM 122 N ASP A 9 2.915 -8.360 2.167 1.00 0.24 N ATOM 123 CA ASP A 9 3.406 -7.175 2.920 1.00 0.28 C ATOM 124 C ASP A 9 2.464 -6.026 2.703 1.00 0.24 C ATOM 125 O ASP A 9 2.099 -5.302 3.639 1.00 0.30 O ATOM 126 CB ASP A 9 4.808 -6.723 2.481 1.00 0.38 C ATOM 127 CG ASP A 9 5.916 -7.680 2.818 1.00 1.05 C ATOM 128 OD1 ASP A 9 6.368 -7.691 3.988 1.00 1.12 O ATOM 129 OD2 ASP A 9 6.331 -8.465 1.946 1.00 1.78 O ATOM 0 H ASP A 9 3.529 -8.676 1.416 1.00 0.24 H new ATOM 0 HA ASP A 9 3.457 -7.469 3.968 1.00 0.28 H new ATOM 0 HB2 ASP A 9 4.801 -6.563 1.403 1.00 0.38 H new ATOM 0 HB3 ASP A 9 5.025 -5.761 2.945 1.00 0.38 H new ATOM 134 N LEU A 10 2.051 -5.882 1.465 1.00 0.19 N ATOM 135 CA LEU A 10 1.111 -4.865 1.069 1.00 0.23 C ATOM 136 C LEU A 10 -0.233 -5.127 1.749 1.00 0.24 C ATOM 137 O LEU A 10 -0.841 -4.216 2.311 1.00 0.30 O ATOM 138 CB LEU A 10 0.966 -4.884 -0.449 1.00 0.27 C ATOM 139 CG LEU A 10 0.038 -3.849 -1.065 1.00 0.38 C ATOM 140 CD1 LEU A 10 0.529 -2.435 -0.782 1.00 0.47 C ATOM 141 CD2 LEU A 10 -0.075 -4.092 -2.549 1.00 0.47 C ATOM 0 H LEU A 10 2.364 -6.476 0.697 1.00 0.19 H new ATOM 0 HA LEU A 10 1.467 -3.881 1.374 1.00 0.23 H new ATOM 0 HB2 LEU A 10 1.956 -4.754 -0.886 1.00 0.27 H new ATOM 0 HB3 LEU A 10 0.615 -5.873 -0.744 1.00 0.27 H new ATOM 0 HG LEU A 10 -0.949 -3.948 -0.613 1.00 0.38 H new ATOM 0 HD11 LEU A 10 -0.154 -1.715 -1.234 1.00 0.47 H new ATOM 0 HD12 LEU A 10 0.567 -2.272 0.295 1.00 0.47 H new ATOM 0 HD13 LEU A 10 1.525 -2.305 -1.204 1.00 0.47 H new ATOM 0 HD21 LEU A 10 -0.740 -3.350 -2.990 1.00 0.47 H new ATOM 0 HD22 LEU A 10 0.911 -4.013 -3.007 1.00 0.47 H new ATOM 0 HD23 LEU A 10 -0.477 -5.090 -2.725 1.00 0.47 H new ATOM 153 N ARG A 11 -0.660 -6.387 1.702 1.00 0.24 N ATOM 154 CA ARG A 11 -1.877 -6.868 2.361 1.00 0.30 C ATOM 155 C ARG A 11 -1.920 -6.437 3.827 1.00 0.33 C ATOM 156 O ARG A 11 -2.889 -5.836 4.267 1.00 0.38 O ATOM 157 CB ARG A 11 -1.912 -8.389 2.289 1.00 0.36 C ATOM 158 CG ARG A 11 -3.018 -9.037 3.082 1.00 0.51 C ATOM 159 CD ARG A 11 -2.805 -10.523 3.141 1.00 0.73 C ATOM 160 NE ARG A 11 -3.803 -11.191 3.960 1.00 0.97 N ATOM 161 CZ ARG A 11 -3.622 -12.365 4.559 1.00 1.30 C ATOM 162 NH1 ARG A 11 -2.412 -12.933 4.579 1.00 1.81 N ATOM 163 NH2 ARG A 11 -4.638 -12.931 5.186 1.00 1.98 N ATOM 0 H ARG A 11 -0.161 -7.118 1.195 1.00 0.24 H new ATOM 0 HA ARG A 11 -2.739 -6.439 1.850 1.00 0.30 H new ATOM 0 HB2 ARG A 11 -2.011 -8.687 1.245 1.00 0.36 H new ATOM 0 HB3 ARG A 11 -0.956 -8.777 2.642 1.00 0.36 H new ATOM 0 HG2 ARG A 11 -3.043 -8.625 4.091 1.00 0.51 H new ATOM 0 HG3 ARG A 11 -3.982 -8.817 2.624 1.00 0.51 H new ATOM 0 HD2 ARG A 11 -2.834 -10.932 2.131 1.00 0.73 H new ATOM 0 HD3 ARG A 11 -1.812 -10.730 3.541 1.00 0.73 H new ATOM 0 HE ARG A 11 -4.703 -10.728 4.084 1.00 0.97 H new ATOM 0 HH11 ARG A 11 -1.622 -12.466 4.134 1.00 1.81 H new ATOM 0 HH12 ARG A 11 -2.279 -13.833 5.040 1.00 1.81 H new ATOM 0 HH21 ARG A 11 -5.547 -12.468 5.206 1.00 1.98 H new ATOM 0 HH22 ARG A 11 -4.514 -13.831 5.650 1.00 1.98 H new ATOM 177 N ARG A 12 -0.835 -6.732 4.554 1.00 0.33 N ATOM 178 CA ARG A 12 -0.703 -6.410 5.985 1.00 0.39 C ATOM 179 C ARG A 12 -0.999 -4.937 6.225 1.00 0.39 C ATOM 180 O ARG A 12 -1.794 -4.580 7.101 1.00 0.48 O ATOM 181 CB ARG A 12 0.724 -6.698 6.461 1.00 0.49 C ATOM 182 CG ARG A 12 1.176 -8.140 6.337 1.00 0.77 C ATOM 183 CD ARG A 12 2.643 -8.244 6.670 1.00 0.90 C ATOM 184 NE ARG A 12 3.193 -9.592 6.503 1.00 1.28 N ATOM 185 CZ ARG A 12 4.323 -10.006 7.104 1.00 1.77 C ATOM 186 NH1 ARG A 12 4.979 -9.179 7.920 1.00 2.08 N ATOM 187 NH2 ARG A 12 4.794 -11.226 6.897 1.00 2.59 N ATOM 0 H ARG A 12 -0.018 -7.204 4.166 1.00 0.33 H new ATOM 0 HA ARG A 12 -1.413 -7.026 6.537 1.00 0.39 H new ATOM 0 HB2 ARG A 12 1.411 -6.070 5.894 1.00 0.49 H new ATOM 0 HB3 ARG A 12 0.807 -6.398 7.506 1.00 0.49 H new ATOM 0 HG2 ARG A 12 0.595 -8.772 7.009 1.00 0.77 H new ATOM 0 HG3 ARG A 12 0.997 -8.501 5.324 1.00 0.77 H new ATOM 0 HD2 ARG A 12 3.200 -7.553 6.037 1.00 0.90 H new ATOM 0 HD3 ARG A 12 2.796 -7.924 7.701 1.00 0.90 H new ATOM 0 HE ARG A 12 2.695 -10.248 5.902 1.00 1.28 H new ATOM 0 HH11 ARG A 12 4.623 -8.238 8.086 1.00 2.08 H new ATOM 0 HH12 ARG A 12 5.836 -9.488 8.378 1.00 2.08 H new ATOM 0 HH21 ARG A 12 4.299 -11.865 6.275 1.00 2.59 H new ATOM 0 HH22 ARG A 12 5.652 -11.527 7.359 1.00 2.59 H new ATOM 201 N ALA A 13 -0.388 -4.094 5.413 1.00 0.35 N ATOM 202 CA ALA A 13 -0.557 -2.660 5.527 1.00 0.41 C ATOM 203 C ALA A 13 -1.985 -2.247 5.178 1.00 0.42 C ATOM 204 O ALA A 13 -2.570 -1.387 5.842 1.00 0.50 O ATOM 205 CB ALA A 13 0.445 -1.937 4.651 1.00 0.48 C ATOM 0 H ALA A 13 0.236 -4.384 4.660 1.00 0.35 H new ATOM 0 HA ALA A 13 -0.373 -2.377 6.563 1.00 0.41 H new ATOM 0 HB1 ALA A 13 0.304 -0.861 4.749 1.00 0.48 H new ATOM 0 HB2 ALA A 13 1.456 -2.200 4.961 1.00 0.48 H new ATOM 0 HB3 ALA A 13 0.297 -2.229 3.611 1.00 0.48 H new ATOM 211 N LEU A 14 -2.550 -2.883 4.163 1.00 0.41 N ATOM 212 CA LEU A 14 -3.917 -2.610 3.727 1.00 0.49 C ATOM 213 C LEU A 14 -4.968 -3.061 4.754 1.00 0.55 C ATOM 214 O LEU A 14 -6.108 -2.637 4.695 1.00 0.72 O ATOM 215 CB LEU A 14 -4.199 -3.215 2.351 1.00 0.51 C ATOM 216 CG LEU A 14 -3.420 -2.621 1.172 1.00 0.52 C ATOM 217 CD1 LEU A 14 -3.772 -3.347 -0.106 1.00 0.93 C ATOM 218 CD2 LEU A 14 -3.713 -1.138 1.022 1.00 0.92 C ATOM 0 H LEU A 14 -2.077 -3.603 3.617 1.00 0.41 H new ATOM 0 HA LEU A 14 -4.001 -1.526 3.644 1.00 0.49 H new ATOM 0 HB2 LEU A 14 -3.986 -4.283 2.397 1.00 0.51 H new ATOM 0 HB3 LEU A 14 -5.264 -3.111 2.144 1.00 0.51 H new ATOM 0 HG LEU A 14 -2.356 -2.745 1.372 1.00 0.52 H new ATOM 0 HD11 LEU A 14 -3.212 -2.915 -0.936 1.00 0.93 H new ATOM 0 HD12 LEU A 14 -3.518 -4.402 -0.007 1.00 0.93 H new ATOM 0 HD13 LEU A 14 -4.840 -3.247 -0.299 1.00 0.93 H new ATOM 0 HD21 LEU A 14 -3.149 -0.739 0.179 1.00 0.92 H new ATOM 0 HD22 LEU A 14 -4.779 -0.994 0.846 1.00 0.92 H new ATOM 0 HD23 LEU A 14 -3.422 -0.616 1.933 1.00 0.92 H new ATOM 230 N VAL A 15 -4.591 -3.930 5.656 1.00 0.51 N ATOM 231 CA VAL A 15 -5.471 -4.311 6.757 1.00 0.60 C ATOM 232 C VAL A 15 -5.386 -3.216 7.825 1.00 0.58 C ATOM 233 O VAL A 15 -6.391 -2.655 8.264 1.00 0.66 O ATOM 234 CB VAL A 15 -5.039 -5.677 7.375 1.00 0.69 C ATOM 235 CG1 VAL A 15 -5.922 -6.041 8.560 1.00 0.81 C ATOM 236 CG2 VAL A 15 -5.099 -6.785 6.332 1.00 0.76 C ATOM 0 H VAL A 15 -3.682 -4.393 5.659 1.00 0.51 H new ATOM 0 HA VAL A 15 -6.491 -4.420 6.387 1.00 0.60 H new ATOM 0 HB VAL A 15 -4.011 -5.572 7.722 1.00 0.69 H new ATOM 0 HG11 VAL A 15 -5.601 -6.997 8.973 1.00 0.81 H new ATOM 0 HG12 VAL A 15 -5.840 -5.269 9.325 1.00 0.81 H new ATOM 0 HG13 VAL A 15 -6.958 -6.118 8.231 1.00 0.81 H new ATOM 0 HG21 VAL A 15 -4.794 -7.728 6.785 1.00 0.76 H new ATOM 0 HG22 VAL A 15 -6.118 -6.876 5.956 1.00 0.76 H new ATOM 0 HG23 VAL A 15 -4.428 -6.545 5.507 1.00 0.76 H new ATOM 246 N GLU A 16 -4.167 -2.911 8.210 1.00 0.55 N ATOM 247 CA GLU A 16 -3.865 -1.902 9.221 1.00 0.63 C ATOM 248 C GLU A 16 -4.421 -0.516 8.883 1.00 0.58 C ATOM 249 O GLU A 16 -4.914 0.190 9.754 1.00 0.67 O ATOM 250 CB GLU A 16 -2.364 -1.828 9.424 1.00 0.82 C ATOM 251 CG GLU A 16 -1.788 -3.061 10.078 1.00 1.16 C ATOM 252 CD GLU A 16 -2.313 -3.236 11.475 1.00 1.67 C ATOM 253 OE1 GLU A 16 -1.834 -2.567 12.396 1.00 1.83 O ATOM 254 OE2 GLU A 16 -3.207 -4.075 11.679 1.00 2.43 O ATOM 0 H GLU A 16 -3.336 -3.362 7.826 1.00 0.55 H new ATOM 0 HA GLU A 16 -4.361 -2.212 10.141 1.00 0.63 H new ATOM 0 HB2 GLU A 16 -1.881 -1.678 8.459 1.00 0.82 H new ATOM 0 HB3 GLU A 16 -2.130 -0.957 10.036 1.00 0.82 H new ATOM 0 HG2 GLU A 16 -2.035 -3.940 9.482 1.00 1.16 H new ATOM 0 HG3 GLU A 16 -0.701 -2.988 10.103 1.00 1.16 H new ATOM 261 N SER A 17 -4.360 -0.149 7.625 1.00 0.52 N ATOM 262 CA SER A 17 -4.806 1.165 7.203 1.00 0.62 C ATOM 263 C SER A 17 -6.333 1.223 7.055 1.00 0.70 C ATOM 264 O SER A 17 -6.927 2.309 7.094 1.00 0.94 O ATOM 265 CB SER A 17 -4.136 1.525 5.893 1.00 0.67 C ATOM 266 OG SER A 17 -2.729 1.317 5.972 1.00 1.26 O ATOM 0 H SER A 17 -4.006 -0.740 6.872 1.00 0.52 H new ATOM 0 HA SER A 17 -4.526 1.887 7.970 1.00 0.62 H new ATOM 0 HB2 SER A 17 -4.553 0.921 5.088 1.00 0.67 H new ATOM 0 HB3 SER A 17 -4.341 2.567 5.648 1.00 0.67 H new ATOM 0 HG SER A 17 -2.526 0.378 5.777 1.00 1.26 H new ATOM 412 N PHE A 30 -4.726 -9.311 -5.100 1.00 0.50 N ATOM 413 CA PHE A 30 -5.627 -8.171 -5.093 1.00 0.39 C ATOM 414 C PHE A 30 -5.049 -6.985 -5.871 1.00 0.32 C ATOM 415 O PHE A 30 -5.636 -5.915 -5.905 1.00 0.31 O ATOM 416 CB PHE A 30 -5.940 -7.771 -3.642 1.00 0.39 C ATOM 417 CG PHE A 30 -4.716 -7.545 -2.783 1.00 0.38 C ATOM 418 CD1 PHE A 30 -4.064 -6.327 -2.802 1.00 0.41 C ATOM 419 CD2 PHE A 30 -4.228 -8.541 -1.961 1.00 0.47 C ATOM 420 CE1 PHE A 30 -2.953 -6.109 -2.023 1.00 0.48 C ATOM 421 CE2 PHE A 30 -3.119 -8.327 -1.179 1.00 0.55 C ATOM 422 CZ PHE A 30 -2.471 -7.151 -1.211 1.00 0.53 C ATOM 0 HA PHE A 30 -6.550 -8.462 -5.594 1.00 0.39 H new ATOM 0 HB2 PHE A 30 -6.538 -6.860 -3.649 1.00 0.39 H new ATOM 0 HB3 PHE A 30 -6.551 -8.550 -3.186 1.00 0.39 H new ATOM 0 HD1 PHE A 30 -4.432 -5.535 -3.438 1.00 0.41 H new ATOM 0 HD2 PHE A 30 -4.724 -9.500 -1.932 1.00 0.47 H new ATOM 0 HE1 PHE A 30 -2.457 -5.150 -2.034 1.00 0.48 H new ATOM 0 HE2 PHE A 30 -2.764 -9.114 -0.530 1.00 0.55 H new ATOM 0 HZ PHE A 30 -1.582 -7.006 -0.615 1.00 0.53 H new ATOM 432 N LEU A 31 -3.892 -7.195 -6.475 1.00 0.33 N ATOM 433 CA LEU A 31 -3.145 -6.187 -7.182 1.00 0.32 C ATOM 434 C LEU A 31 -3.924 -5.429 -8.263 1.00 0.28 C ATOM 435 O LEU A 31 -3.589 -4.286 -8.560 1.00 0.33 O ATOM 436 CB LEU A 31 -1.829 -6.762 -7.714 1.00 0.41 C ATOM 437 CG LEU A 31 -0.649 -6.855 -6.711 1.00 0.61 C ATOM 438 CD1 LEU A 31 -0.973 -7.739 -5.519 1.00 1.29 C ATOM 439 CD2 LEU A 31 0.611 -7.348 -7.402 1.00 0.98 C ATOM 0 H LEU A 31 -3.437 -8.108 -6.483 1.00 0.33 H new ATOM 0 HA LEU A 31 -2.924 -5.420 -6.440 1.00 0.32 H new ATOM 0 HB2 LEU A 31 -2.027 -7.762 -8.099 1.00 0.41 H new ATOM 0 HB3 LEU A 31 -1.509 -6.152 -8.559 1.00 0.41 H new ATOM 0 HG LEU A 31 -0.477 -5.847 -6.334 1.00 0.61 H new ATOM 0 HD11 LEU A 31 -0.116 -7.772 -4.847 1.00 1.29 H new ATOM 0 HD12 LEU A 31 -1.835 -7.333 -4.989 1.00 1.29 H new ATOM 0 HD13 LEU A 31 -1.201 -8.747 -5.865 1.00 1.29 H new ATOM 0 HD21 LEU A 31 1.424 -7.405 -6.678 1.00 0.98 H new ATOM 0 HD22 LEU A 31 0.431 -8.337 -7.824 1.00 0.98 H new ATOM 0 HD23 LEU A 31 0.883 -6.657 -8.200 1.00 0.98 H new ATOM 451 N ASP A 32 -4.944 -6.052 -8.841 1.00 0.32 N ATOM 452 CA ASP A 32 -5.730 -5.400 -9.894 1.00 0.43 C ATOM 453 C ASP A 32 -7.036 -4.817 -9.381 1.00 0.36 C ATOM 454 O ASP A 32 -7.812 -4.258 -10.155 1.00 0.42 O ATOM 455 CB ASP A 32 -6.007 -6.336 -11.075 1.00 0.69 C ATOM 456 CG ASP A 32 -4.793 -6.621 -11.910 1.00 1.22 C ATOM 457 OD1 ASP A 32 -4.356 -5.745 -12.690 1.00 1.74 O ATOM 458 OD2 ASP A 32 -4.216 -7.720 -11.775 1.00 1.99 O ATOM 0 H ASP A 32 -5.248 -6.997 -8.606 1.00 0.32 H new ATOM 0 HA ASP A 32 -5.110 -4.575 -10.244 1.00 0.43 H new ATOM 0 HB2 ASP A 32 -6.407 -7.277 -10.697 1.00 0.69 H new ATOM 0 HB3 ASP A 32 -6.777 -5.893 -11.707 1.00 0.69 H new ATOM 463 N LEU A 33 -7.288 -4.940 -8.100 1.00 0.32 N ATOM 464 CA LEU A 33 -8.500 -4.392 -7.526 1.00 0.33 C ATOM 465 C LEU A 33 -8.279 -2.925 -7.227 1.00 0.31 C ATOM 466 O LEU A 33 -7.335 -2.581 -6.538 1.00 0.45 O ATOM 467 CB LEU A 33 -8.878 -5.136 -6.246 1.00 0.40 C ATOM 468 CG LEU A 33 -9.095 -6.647 -6.381 1.00 0.47 C ATOM 469 CD1 LEU A 33 -9.493 -7.241 -5.046 1.00 0.57 C ATOM 470 CD2 LEU A 33 -10.146 -6.958 -7.437 1.00 0.58 C ATOM 0 H LEU A 33 -6.675 -5.412 -7.435 1.00 0.32 H new ATOM 0 HA LEU A 33 -9.318 -4.508 -8.237 1.00 0.33 H new ATOM 0 HB2 LEU A 33 -8.094 -4.967 -5.507 1.00 0.40 H new ATOM 0 HB3 LEU A 33 -9.791 -4.693 -5.849 1.00 0.40 H new ATOM 0 HG LEU A 33 -8.155 -7.098 -6.700 1.00 0.47 H new ATOM 0 HD11 LEU A 33 -9.644 -8.315 -5.156 1.00 0.57 H new ATOM 0 HD12 LEU A 33 -8.704 -7.058 -4.317 1.00 0.57 H new ATOM 0 HD13 LEU A 33 -10.418 -6.778 -4.703 1.00 0.57 H new ATOM 0 HD21 LEU A 33 -10.279 -8.037 -7.511 1.00 0.58 H new ATOM 0 HD22 LEU A 33 -11.092 -6.494 -7.157 1.00 0.58 H new ATOM 0 HD23 LEU A 33 -9.821 -6.566 -8.401 1.00 0.58 H new ATOM 482 N ARG A 34 -9.127 -2.066 -7.735 1.00 0.28 N ATOM 483 CA ARG A 34 -8.961 -0.653 -7.539 1.00 0.31 C ATOM 484 C ARG A 34 -9.271 -0.285 -6.101 1.00 0.29 C ATOM 485 O ARG A 34 -10.213 -0.829 -5.502 1.00 0.34 O ATOM 486 CB ARG A 34 -9.895 0.109 -8.459 1.00 0.48 C ATOM 487 CG ARG A 34 -9.198 1.191 -9.229 1.00 0.73 C ATOM 488 CD ARG A 34 -10.153 1.970 -10.104 1.00 1.02 C ATOM 489 NE ARG A 34 -9.489 3.087 -10.796 1.00 1.90 N ATOM 490 CZ ARG A 34 -10.095 3.951 -11.620 1.00 2.41 C ATOM 491 NH1 ARG A 34 -11.411 3.902 -11.802 1.00 2.17 N ATOM 492 NH2 ARG A 34 -9.381 4.888 -12.201 1.00 3.51 N ATOM 0 H ARG A 34 -9.943 -2.325 -8.290 1.00 0.28 H new ATOM 0 HA ARG A 34 -7.928 -0.390 -7.765 1.00 0.31 H new ATOM 0 HB2 ARG A 34 -10.357 -0.588 -9.158 1.00 0.48 H new ATOM 0 HB3 ARG A 34 -10.699 0.549 -7.869 1.00 0.48 H new ATOM 0 HG2 ARG A 34 -8.707 1.872 -8.534 1.00 0.73 H new ATOM 0 HG3 ARG A 34 -8.417 0.750 -9.848 1.00 0.73 H new ATOM 0 HD2 ARG A 34 -10.596 1.300 -10.841 1.00 1.02 H new ATOM 0 HD3 ARG A 34 -10.969 2.357 -9.494 1.00 1.02 H new ATOM 0 HE ARG A 34 -8.490 3.212 -10.635 1.00 1.90 H new ATOM 0 HH11 ARG A 34 -11.968 3.202 -11.312 1.00 2.17 H new ATOM 0 HH12 ARG A 34 -11.864 4.564 -12.432 1.00 2.17 H new ATOM 0 HH21 ARG A 34 -8.379 4.950 -12.022 1.00 3.51 H new ATOM 0 HH22 ARG A 34 -9.829 5.553 -12.831 1.00 3.51 H new ATOM 506 N PHE A 35 -8.471 0.622 -5.549 1.00 0.30 N ATOM 507 CA PHE A 35 -8.633 1.099 -4.180 1.00 0.34 C ATOM 508 C PHE A 35 -10.070 1.499 -3.864 1.00 0.38 C ATOM 509 O PHE A 35 -10.601 1.131 -2.811 1.00 0.41 O ATOM 510 CB PHE A 35 -7.664 2.238 -3.851 1.00 0.38 C ATOM 511 CG PHE A 35 -6.226 1.810 -3.709 1.00 0.37 C ATOM 512 CD1 PHE A 35 -5.815 1.096 -2.593 1.00 0.39 C ATOM 513 CD2 PHE A 35 -5.288 2.132 -4.671 1.00 0.40 C ATOM 514 CE1 PHE A 35 -4.499 0.711 -2.445 1.00 0.42 C ATOM 515 CE2 PHE A 35 -3.968 1.753 -4.527 1.00 0.44 C ATOM 516 CZ PHE A 35 -3.574 1.040 -3.412 1.00 0.44 C ATOM 0 H PHE A 35 -7.687 1.049 -6.042 1.00 0.30 H new ATOM 0 HA PHE A 35 -8.386 0.254 -3.537 1.00 0.34 H new ATOM 0 HB2 PHE A 35 -7.730 2.993 -4.635 1.00 0.38 H new ATOM 0 HB3 PHE A 35 -7.982 2.713 -2.923 1.00 0.38 H new ATOM 0 HD1 PHE A 35 -6.535 0.838 -1.830 1.00 0.39 H new ATOM 0 HD2 PHE A 35 -5.591 2.687 -5.547 1.00 0.40 H new ATOM 0 HE1 PHE A 35 -4.194 0.152 -1.572 1.00 0.42 H new ATOM 0 HE2 PHE A 35 -3.245 2.014 -5.285 1.00 0.44 H new ATOM 0 HZ PHE A 35 -2.543 0.741 -3.298 1.00 0.44 H new ATOM 526 N GLU A 36 -10.702 2.211 -4.790 1.00 0.44 N ATOM 527 CA GLU A 36 -12.089 2.656 -4.648 1.00 0.52 C ATOM 528 C GLU A 36 -13.053 1.499 -4.369 1.00 0.52 C ATOM 529 O GLU A 36 -14.059 1.674 -3.692 1.00 0.58 O ATOM 530 CB GLU A 36 -12.560 3.405 -5.898 1.00 0.64 C ATOM 531 CG GLU A 36 -12.590 2.575 -7.170 1.00 1.23 C ATOM 532 CD GLU A 36 -13.275 3.289 -8.302 1.00 1.60 C ATOM 533 OE1 GLU A 36 -14.501 3.267 -8.376 1.00 1.97 O ATOM 534 OE2 GLU A 36 -12.578 3.910 -9.138 1.00 2.06 O ATOM 0 H GLU A 36 -10.267 2.499 -5.666 1.00 0.44 H new ATOM 0 HA GLU A 36 -12.102 3.326 -3.789 1.00 0.52 H new ATOM 0 HB2 GLU A 36 -13.561 3.796 -5.714 1.00 0.64 H new ATOM 0 HB3 GLU A 36 -11.907 4.263 -6.057 1.00 0.64 H new ATOM 0 HG2 GLU A 36 -11.570 2.328 -7.464 1.00 1.23 H new ATOM 0 HG3 GLU A 36 -13.103 1.633 -6.974 1.00 1.23 H new ATOM 541 N ASP A 37 -12.726 0.323 -4.865 1.00 0.49 N ATOM 542 CA ASP A 37 -13.609 -0.814 -4.744 1.00 0.55 C ATOM 543 C ASP A 37 -13.399 -1.480 -3.400 1.00 0.55 C ATOM 544 O ASP A 37 -14.342 -1.936 -2.766 1.00 0.66 O ATOM 545 CB ASP A 37 -13.338 -1.820 -5.870 1.00 0.62 C ATOM 546 CG ASP A 37 -14.439 -2.845 -6.021 1.00 0.74 C ATOM 547 OD1 ASP A 37 -14.522 -3.813 -5.225 1.00 0.86 O ATOM 548 OD2 ASP A 37 -15.266 -2.690 -6.941 1.00 0.92 O ATOM 0 H ASP A 37 -11.853 0.132 -5.356 1.00 0.49 H new ATOM 0 HA ASP A 37 -14.641 -0.471 -4.822 1.00 0.55 H new ATOM 0 HB2 ASP A 37 -13.218 -1.282 -6.810 1.00 0.62 H new ATOM 0 HB3 ASP A 37 -12.396 -2.332 -5.674 1.00 0.62 H new ATOM 553 N ILE A 38 -12.166 -1.442 -2.924 1.00 0.47 N ATOM 554 CA ILE A 38 -11.798 -2.117 -1.682 1.00 0.51 C ATOM 555 C ILE A 38 -11.871 -1.188 -0.465 1.00 0.53 C ATOM 556 O ILE A 38 -11.253 -1.446 0.570 1.00 0.59 O ATOM 557 CB ILE A 38 -10.395 -2.788 -1.755 1.00 0.50 C ATOM 558 CG1 ILE A 38 -9.305 -1.756 -2.107 1.00 0.44 C ATOM 559 CG2 ILE A 38 -10.409 -3.926 -2.766 1.00 0.56 C ATOM 560 CD1 ILE A 38 -7.892 -2.308 -2.120 1.00 0.47 C ATOM 0 H ILE A 38 -11.397 -0.950 -3.378 1.00 0.47 H new ATOM 0 HA ILE A 38 -12.541 -2.904 -1.555 1.00 0.51 H new ATOM 0 HB ILE A 38 -10.159 -3.198 -0.773 1.00 0.50 H new ATOM 0 HG12 ILE A 38 -9.525 -1.335 -3.088 1.00 0.44 H new ATOM 0 HG13 ILE A 38 -9.354 -0.937 -1.390 1.00 0.44 H new ATOM 0 HG21 ILE A 38 -9.422 -4.387 -2.808 1.00 0.56 H new ATOM 0 HG22 ILE A 38 -11.145 -4.671 -2.465 1.00 0.56 H new ATOM 0 HG23 ILE A 38 -10.669 -3.535 -3.750 1.00 0.56 H new ATOM 0 HD11 ILE A 38 -7.193 -1.512 -2.377 1.00 0.47 H new ATOM 0 HD12 ILE A 38 -7.646 -2.702 -1.134 1.00 0.47 H new ATOM 0 HD13 ILE A 38 -7.820 -3.107 -2.858 1.00 0.47 H new ATOM 572 N GLY A 39 -12.677 -0.152 -0.581 1.00 0.54 N ATOM 573 CA GLY A 39 -12.917 0.750 0.532 1.00 0.61 C ATOM 574 C GLY A 39 -11.783 1.712 0.796 1.00 0.55 C ATOM 575 O GLY A 39 -11.661 2.249 1.896 1.00 0.69 O ATOM 0 H GLY A 39 -13.179 0.088 -1.436 1.00 0.54 H new ATOM 0 HA2 GLY A 39 -13.825 1.320 0.336 1.00 0.61 H new ATOM 0 HA3 GLY A 39 -13.098 0.161 1.431 1.00 0.61 H new ATOM 579 N TYR A 40 -10.948 1.927 -0.185 1.00 0.45 N ATOM 580 CA TYR A 40 -9.857 2.853 -0.052 1.00 0.48 C ATOM 581 C TYR A 40 -10.105 4.110 -0.820 1.00 0.56 C ATOM 582 O TYR A 40 -10.057 4.133 -2.048 1.00 0.64 O ATOM 583 CB TYR A 40 -8.510 2.227 -0.413 1.00 0.43 C ATOM 584 CG TYR A 40 -7.842 1.557 0.748 1.00 0.55 C ATOM 585 CD1 TYR A 40 -8.421 0.451 1.328 1.00 0.73 C ATOM 586 CD2 TYR A 40 -6.620 1.992 1.236 1.00 0.74 C ATOM 587 CE1 TYR A 40 -7.814 -0.212 2.357 1.00 1.00 C ATOM 588 CE2 TYR A 40 -6.005 1.336 2.276 1.00 0.99 C ATOM 589 CZ TYR A 40 -6.613 0.417 2.937 1.00 1.11 C ATOM 590 OH TYR A 40 -6.004 -0.449 3.832 1.00 1.40 O ATOM 0 H TYR A 40 -11.005 1.468 -1.094 1.00 0.45 H new ATOM 0 HA TYR A 40 -9.802 3.119 1.004 1.00 0.48 H new ATOM 0 HB2 TYR A 40 -8.657 1.498 -1.210 1.00 0.43 H new ATOM 0 HB3 TYR A 40 -7.851 3.001 -0.807 1.00 0.43 H new ATOM 0 HD1 TYR A 40 -9.375 0.100 0.962 1.00 0.73 H new ATOM 0 HD2 TYR A 40 -6.146 2.856 0.794 1.00 0.74 H new ATOM 0 HE1 TYR A 40 -8.196 -1.152 2.728 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -4.992 1.598 2.542 1.00 0.99 H new ATOM 0 HH TYR A 40 -6.409 -1.338 3.754 1.00 1.40 H new ATOM 600 N ASP A 41 -10.408 5.142 -0.085 1.00 0.74 N ATOM 601 CA ASP A 41 -10.653 6.459 -0.633 1.00 0.95 C ATOM 602 C ASP A 41 -9.347 7.019 -1.185 1.00 1.01 C ATOM 603 O ASP A 41 -9.195 7.117 -2.400 1.00 1.89 O ATOM 604 CB ASP A 41 -11.234 7.348 0.450 1.00 1.15 C ATOM 605 CG ASP A 41 -11.619 8.725 -0.015 1.00 1.57 C ATOM 606 OD1 ASP A 41 -12.303 8.848 -1.052 1.00 2.07 O ATOM 607 OD2 ASP A 41 -11.299 9.702 0.706 1.00 2.16 O ATOM 0 H ASP A 41 -10.495 5.098 0.930 1.00 0.74 H new ATOM 0 HA ASP A 41 -11.372 6.410 -1.450 1.00 0.95 H new ATOM 0 HB2 ASP A 41 -12.114 6.860 0.870 1.00 1.15 H new ATOM 0 HB3 ASP A 41 -10.506 7.441 1.256 1.00 1.15 H new ATOM 612 N SER A 42 -8.392 7.302 -0.276 1.00 0.71 N ATOM 613 CA SER A 42 -7.014 7.727 -0.614 1.00 0.66 C ATOM 614 C SER A 42 -6.240 8.142 0.628 1.00 0.49 C ATOM 615 O SER A 42 -5.026 7.994 0.685 1.00 0.45 O ATOM 616 CB SER A 42 -6.938 8.824 -1.675 1.00 0.86 C ATOM 617 OG SER A 42 -7.740 9.972 -1.307 1.00 1.19 O ATOM 0 H SER A 42 -8.557 7.242 0.729 1.00 0.71 H new ATOM 0 HA SER A 42 -6.548 6.845 -1.053 1.00 0.66 H new ATOM 0 HB2 SER A 42 -5.901 9.131 -1.809 1.00 0.86 H new ATOM 0 HB3 SER A 42 -7.281 8.431 -2.632 1.00 0.86 H new ATOM 0 HG SER A 42 -7.670 10.657 -2.004 1.00 1.19 H new ATOM 622 N LEU A 43 -6.932 8.624 1.629 1.00 0.49 N ATOM 623 CA LEU A 43 -6.292 8.983 2.871 1.00 0.49 C ATOM 624 C LEU A 43 -5.756 7.743 3.580 1.00 0.42 C ATOM 625 O LEU A 43 -4.604 7.708 3.995 1.00 0.41 O ATOM 626 CB LEU A 43 -7.204 9.828 3.778 1.00 0.65 C ATOM 627 CG LEU A 43 -7.557 11.243 3.259 1.00 0.79 C ATOM 628 CD1 LEU A 43 -8.579 11.239 2.130 1.00 1.12 C ATOM 629 CD2 LEU A 43 -7.979 12.154 4.382 1.00 1.03 C ATOM 0 H LEU A 43 -7.940 8.777 1.609 1.00 0.49 H new ATOM 0 HA LEU A 43 -5.441 9.620 2.631 1.00 0.49 H new ATOM 0 HB2 LEU A 43 -8.132 9.280 3.938 1.00 0.65 H new ATOM 0 HB3 LEU A 43 -6.722 9.929 4.750 1.00 0.65 H new ATOM 0 HG LEU A 43 -6.638 11.639 2.828 1.00 0.79 H new ATOM 0 HD11 LEU A 43 -8.779 12.264 1.816 1.00 1.12 H new ATOM 0 HD12 LEU A 43 -8.187 10.671 1.286 1.00 1.12 H new ATOM 0 HD13 LEU A 43 -9.504 10.780 2.478 1.00 1.12 H new ATOM 0 HD21 LEU A 43 -8.219 13.139 3.981 1.00 1.03 H new ATOM 0 HD22 LEU A 43 -8.857 11.739 4.876 1.00 1.03 H new ATOM 0 HD23 LEU A 43 -7.166 12.244 5.102 1.00 1.03 H new ATOM 641 N ALA A 44 -6.582 6.716 3.657 1.00 0.40 N ATOM 642 CA ALA A 44 -6.173 5.421 4.205 1.00 0.38 C ATOM 643 C ALA A 44 -5.106 4.787 3.304 1.00 0.32 C ATOM 644 O ALA A 44 -4.258 4.039 3.751 1.00 0.33 O ATOM 645 CB ALA A 44 -7.374 4.497 4.349 1.00 0.43 C ATOM 0 H ALA A 44 -7.553 6.748 3.345 1.00 0.40 H new ATOM 0 HA ALA A 44 -5.747 5.577 5.196 1.00 0.38 H new ATOM 0 HB1 ALA A 44 -7.050 3.540 4.758 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -8.103 4.950 5.021 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -7.830 4.338 3.372 1.00 0.43 H new ATOM 651 N LEU A 45 -5.167 5.125 2.033 1.00 0.30 N ATOM 652 CA LEU A 45 -4.213 4.658 1.039 1.00 0.28 C ATOM 653 C LEU A 45 -2.827 5.275 1.373 1.00 0.28 C ATOM 654 O LEU A 45 -1.792 4.600 1.328 1.00 0.29 O ATOM 655 CB LEU A 45 -4.750 5.082 -0.356 1.00 0.30 C ATOM 656 CG LEU A 45 -4.142 4.500 -1.650 1.00 0.30 C ATOM 657 CD1 LEU A 45 -4.862 5.092 -2.845 1.00 0.35 C ATOM 658 CD2 LEU A 45 -2.653 4.749 -1.779 1.00 0.37 C ATOM 0 H LEU A 45 -5.887 5.739 1.653 1.00 0.30 H new ATOM 0 HA LEU A 45 -4.094 3.575 1.038 1.00 0.28 H new ATOM 0 HB2 LEU A 45 -5.815 4.852 -0.372 1.00 0.30 H new ATOM 0 HB3 LEU A 45 -4.657 6.166 -0.418 1.00 0.30 H new ATOM 0 HG LEU A 45 -4.274 3.419 -1.609 1.00 0.30 H new ATOM 0 HD11 LEU A 45 -4.438 4.686 -3.763 1.00 0.35 H new ATOM 0 HD12 LEU A 45 -5.921 4.841 -2.792 1.00 0.35 H new ATOM 0 HD13 LEU A 45 -4.745 6.176 -2.840 1.00 0.35 H new ATOM 0 HD21 LEU A 45 -2.291 4.314 -2.710 1.00 0.37 H new ATOM 0 HD22 LEU A 45 -2.462 5.822 -1.782 1.00 0.37 H new ATOM 0 HD23 LEU A 45 -2.133 4.290 -0.938 1.00 0.37 H new ATOM 670 N MET A 46 -2.832 6.557 1.738 1.00 0.30 N ATOM 671 CA MET A 46 -1.612 7.255 2.161 1.00 0.34 C ATOM 672 C MET A 46 -1.117 6.679 3.462 1.00 0.34 C ATOM 673 O MET A 46 0.075 6.543 3.665 1.00 0.40 O ATOM 674 CB MET A 46 -1.845 8.757 2.324 1.00 0.39 C ATOM 675 CG MET A 46 -2.196 9.460 1.043 1.00 0.45 C ATOM 676 SD MET A 46 -2.450 11.231 1.253 1.00 0.68 S ATOM 677 CE MET A 46 -3.858 11.255 2.351 1.00 1.44 C ATOM 0 H MET A 46 -3.670 7.138 1.750 1.00 0.30 H new ATOM 0 HA MET A 46 -0.863 7.113 1.382 1.00 0.34 H new ATOM 0 HB2 MET A 46 -2.647 8.914 3.045 1.00 0.39 H new ATOM 0 HB3 MET A 46 -0.947 9.211 2.742 1.00 0.39 H new ATOM 0 HG2 MET A 46 -1.400 9.297 0.317 1.00 0.45 H new ATOM 0 HG3 MET A 46 -3.101 9.016 0.629 1.00 0.45 H new ATOM 0 HE1 MET A 46 -3.957 12.246 2.794 1.00 1.44 H new ATOM 0 HE2 MET A 46 -4.761 11.017 1.790 1.00 1.44 H new ATOM 0 HE3 MET A 46 -3.716 10.517 3.141 1.00 1.44 H new ATOM 687 N GLU A 47 -2.057 6.325 4.321 1.00 0.32 N ATOM 688 CA GLU A 47 -1.793 5.685 5.606 1.00 0.37 C ATOM 689 C GLU A 47 -0.967 4.405 5.392 1.00 0.32 C ATOM 690 O GLU A 47 0.000 4.155 6.111 1.00 0.33 O ATOM 691 CB GLU A 47 -3.138 5.365 6.246 1.00 0.45 C ATOM 692 CG GLU A 47 -3.100 4.722 7.631 1.00 0.85 C ATOM 693 CD GLU A 47 -2.550 5.619 8.698 1.00 1.22 C ATOM 694 OE1 GLU A 47 -3.165 6.668 8.998 1.00 1.89 O ATOM 695 OE2 GLU A 47 -1.457 5.332 9.212 1.00 1.82 O ATOM 0 H GLU A 47 -3.050 6.477 4.144 1.00 0.32 H new ATOM 0 HA GLU A 47 -1.219 6.343 6.259 1.00 0.37 H new ATOM 0 HB2 GLU A 47 -3.711 6.290 6.315 1.00 0.45 H new ATOM 0 HB3 GLU A 47 -3.684 4.701 5.577 1.00 0.45 H new ATOM 0 HG2 GLU A 47 -4.110 4.419 7.909 1.00 0.85 H new ATOM 0 HG3 GLU A 47 -2.496 3.816 7.584 1.00 0.85 H new ATOM 702 N THR A 48 -1.331 3.645 4.362 1.00 0.31 N ATOM 703 CA THR A 48 -0.628 2.432 3.976 1.00 0.30 C ATOM 704 C THR A 48 0.824 2.775 3.643 1.00 0.29 C ATOM 705 O THR A 48 1.765 2.241 4.261 1.00 0.32 O ATOM 706 CB THR A 48 -1.312 1.839 2.723 1.00 0.33 C ATOM 707 OG1 THR A 48 -2.690 1.609 3.007 1.00 0.40 O ATOM 708 CG2 THR A 48 -0.657 0.533 2.293 1.00 0.33 C ATOM 0 H THR A 48 -2.132 3.860 3.768 1.00 0.31 H new ATOM 0 HA THR A 48 -0.654 1.710 4.792 1.00 0.30 H new ATOM 0 HB THR A 48 -1.206 2.553 1.906 1.00 0.33 H new ATOM 0 HG1 THR A 48 -3.156 2.468 3.084 1.00 0.40 H new ATOM 0 HG21 THR A 48 -1.164 0.145 1.409 1.00 0.33 H new ATOM 0 HG22 THR A 48 0.393 0.712 2.060 1.00 0.33 H new ATOM 0 HG23 THR A 48 -0.730 -0.194 3.102 1.00 0.33 H new ATOM 716 N ALA A 49 0.989 3.685 2.693 1.00 0.29 N ATOM 717 CA ALA A 49 2.293 4.121 2.239 1.00 0.30 C ATOM 718 C ALA A 49 3.133 4.656 3.398 1.00 0.27 C ATOM 719 O ALA A 49 4.267 4.241 3.575 1.00 0.27 O ATOM 720 CB ALA A 49 2.140 5.174 1.156 1.00 0.36 C ATOM 0 H ALA A 49 0.213 4.142 2.215 1.00 0.29 H new ATOM 0 HA ALA A 49 2.817 3.260 1.823 1.00 0.30 H new ATOM 0 HB1 ALA A 49 3.126 5.496 0.820 1.00 0.36 H new ATOM 0 HB2 ALA A 49 1.590 4.753 0.315 1.00 0.36 H new ATOM 0 HB3 ALA A 49 1.595 6.029 1.555 1.00 0.36 H new ATOM 726 N ALA A 50 2.534 5.518 4.216 1.00 0.29 N ATOM 727 CA ALA A 50 3.203 6.146 5.356 1.00 0.31 C ATOM 728 C ALA A 50 3.718 5.118 6.356 1.00 0.30 C ATOM 729 O ALA A 50 4.813 5.263 6.912 1.00 0.32 O ATOM 730 CB ALA A 50 2.269 7.128 6.047 1.00 0.39 C ATOM 0 H ALA A 50 1.561 5.804 4.106 1.00 0.29 H new ATOM 0 HA ALA A 50 4.066 6.685 4.966 1.00 0.31 H new ATOM 0 HB1 ALA A 50 2.783 7.586 6.892 1.00 0.39 H new ATOM 0 HB2 ALA A 50 1.969 7.903 5.342 1.00 0.39 H new ATOM 0 HB3 ALA A 50 1.384 6.600 6.403 1.00 0.39 H new ATOM 736 N ARG A 51 2.931 4.093 6.609 1.00 0.32 N ATOM 737 CA ARG A 51 3.345 3.032 7.515 1.00 0.37 C ATOM 738 C ARG A 51 4.508 2.245 6.947 1.00 0.32 C ATOM 739 O ARG A 51 5.439 1.872 7.669 1.00 0.36 O ATOM 740 CB ARG A 51 2.184 2.116 7.875 1.00 0.51 C ATOM 741 CG ARG A 51 1.108 2.834 8.643 1.00 1.04 C ATOM 742 CD ARG A 51 -0.003 1.916 9.073 1.00 1.15 C ATOM 743 NE ARG A 51 -1.054 2.670 9.743 1.00 1.91 N ATOM 744 CZ ARG A 51 -1.900 2.193 10.647 1.00 2.60 C ATOM 745 NH1 ARG A 51 -1.735 0.975 11.147 1.00 2.86 N ATOM 746 NH2 ARG A 51 -2.863 2.976 11.106 1.00 3.47 N ATOM 0 H ARG A 51 2.003 3.968 6.204 1.00 0.32 H new ATOM 0 HA ARG A 51 3.683 3.507 8.436 1.00 0.37 H new ATOM 0 HB2 ARG A 51 1.759 1.697 6.963 1.00 0.51 H new ATOM 0 HB3 ARG A 51 2.554 1.280 8.468 1.00 0.51 H new ATOM 0 HG2 ARG A 51 1.547 3.305 9.523 1.00 1.04 H new ATOM 0 HG3 ARG A 51 0.697 3.633 8.026 1.00 1.04 H new ATOM 0 HD2 ARG A 51 -0.414 1.400 8.205 1.00 1.15 H new ATOM 0 HD3 ARG A 51 0.388 1.151 9.743 1.00 1.15 H new ATOM 0 HE ARG A 51 -1.148 3.655 9.494 1.00 1.91 H new ATOM 0 HH11 ARG A 51 -0.953 0.398 10.837 1.00 2.86 H new ATOM 0 HH12 ARG A 51 -2.390 0.616 11.842 1.00 2.86 H new ATOM 0 HH21 ARG A 51 -2.948 3.933 10.765 1.00 3.47 H new ATOM 0 HH22 ARG A 51 -3.520 2.622 11.801 1.00 3.47 H new ATOM 760 N LEU A 52 4.459 1.988 5.656 1.00 0.27 N ATOM 761 CA LEU A 52 5.532 1.284 4.988 1.00 0.25 C ATOM 762 C LEU A 52 6.800 2.150 4.942 1.00 0.21 C ATOM 763 O LEU A 52 7.916 1.627 5.001 1.00 0.23 O ATOM 764 CB LEU A 52 5.103 0.811 3.590 1.00 0.29 C ATOM 765 CG LEU A 52 3.866 -0.101 3.554 1.00 0.36 C ATOM 766 CD1 LEU A 52 3.529 -0.500 2.135 1.00 0.44 C ATOM 767 CD2 LEU A 52 4.076 -1.337 4.414 1.00 0.44 C ATOM 0 H LEU A 52 3.685 2.257 5.048 1.00 0.27 H new ATOM 0 HA LEU A 52 5.767 0.389 5.564 1.00 0.25 H new ATOM 0 HB2 LEU A 52 4.905 1.688 2.973 1.00 0.29 H new ATOM 0 HB3 LEU A 52 5.938 0.281 3.132 1.00 0.29 H new ATOM 0 HG LEU A 52 3.027 0.463 3.961 1.00 0.36 H new ATOM 0 HD11 LEU A 52 2.650 -1.145 2.137 1.00 0.44 H new ATOM 0 HD12 LEU A 52 3.322 0.393 1.545 1.00 0.44 H new ATOM 0 HD13 LEU A 52 4.371 -1.036 1.698 1.00 0.44 H new ATOM 0 HD21 LEU A 52 3.186 -1.965 4.371 1.00 0.44 H new ATOM 0 HD22 LEU A 52 4.934 -1.897 4.043 1.00 0.44 H new ATOM 0 HD23 LEU A 52 4.258 -1.036 5.446 1.00 0.44 H new ATOM 779 N GLU A 53 6.611 3.476 4.858 1.00 0.19 N ATOM 780 CA GLU A 53 7.711 4.442 4.861 1.00 0.19 C ATOM 781 C GLU A 53 8.578 4.297 6.094 1.00 0.23 C ATOM 782 O GLU A 53 9.758 4.000 5.991 1.00 0.26 O ATOM 783 CB GLU A 53 7.216 5.889 4.785 1.00 0.22 C ATOM 784 CG GLU A 53 6.560 6.311 3.485 1.00 0.25 C ATOM 785 CD GLU A 53 6.238 7.796 3.469 1.00 0.33 C ATOM 786 OE1 GLU A 53 7.111 8.605 3.151 1.00 0.38 O ATOM 787 OE2 GLU A 53 5.076 8.176 3.791 1.00 0.49 O ATOM 0 H GLU A 53 5.688 3.905 4.786 1.00 0.19 H new ATOM 0 HA GLU A 53 8.298 4.221 3.970 1.00 0.19 H new ATOM 0 HB2 GLU A 53 6.504 6.049 5.594 1.00 0.22 H new ATOM 0 HB3 GLU A 53 8.063 6.550 4.970 1.00 0.22 H new ATOM 0 HG2 GLU A 53 7.221 6.074 2.651 1.00 0.25 H new ATOM 0 HG3 GLU A 53 5.644 5.739 3.338 1.00 0.25 H new ATOM 794 N SER A 54 7.988 4.492 7.249 1.00 0.31 N ATOM 795 CA SER A 54 8.713 4.432 8.499 1.00 0.40 C ATOM 796 C SER A 54 9.283 3.030 8.778 1.00 0.36 C ATOM 797 O SER A 54 10.426 2.885 9.210 1.00 0.39 O ATOM 798 CB SER A 54 7.813 4.932 9.633 1.00 0.53 C ATOM 799 OG SER A 54 6.520 4.336 9.553 1.00 1.17 O ATOM 0 H SER A 54 6.994 4.696 7.351 1.00 0.31 H new ATOM 0 HA SER A 54 9.581 5.088 8.430 1.00 0.40 H new ATOM 0 HB2 SER A 54 8.268 4.697 10.595 1.00 0.53 H new ATOM 0 HB3 SER A 54 7.722 6.017 9.580 1.00 0.53 H new ATOM 0 HG SER A 54 5.961 4.667 10.287 1.00 1.17 H new ATOM 805 N ARG A 55 8.484 2.023 8.507 1.00 0.35 N ATOM 806 CA ARG A 55 8.864 0.638 8.732 1.00 0.37 C ATOM 807 C ARG A 55 10.017 0.156 7.829 1.00 0.31 C ATOM 808 O ARG A 55 11.001 -0.407 8.320 1.00 0.36 O ATOM 809 CB ARG A 55 7.632 -0.261 8.603 1.00 0.48 C ATOM 810 CG ARG A 55 7.893 -1.758 8.656 1.00 0.61 C ATOM 811 CD ARG A 55 6.585 -2.532 8.773 1.00 0.85 C ATOM 812 NE ARG A 55 6.042 -2.474 10.138 1.00 1.35 N ATOM 813 CZ ARG A 55 5.078 -1.643 10.590 1.00 2.03 C ATOM 814 NH1 ARG A 55 4.527 -0.740 9.784 1.00 2.37 N ATOM 815 NH2 ARG A 55 4.676 -1.734 11.847 1.00 2.81 N ATOM 0 H ARG A 55 7.546 2.137 8.122 1.00 0.35 H new ATOM 0 HA ARG A 55 9.256 0.573 9.747 1.00 0.37 H new ATOM 0 HB2 ARG A 55 6.934 -0.005 9.401 1.00 0.48 H new ATOM 0 HB3 ARG A 55 7.136 -0.032 7.660 1.00 0.48 H new ATOM 0 HG2 ARG A 55 8.427 -2.071 7.758 1.00 0.61 H new ATOM 0 HG3 ARG A 55 8.535 -1.990 9.506 1.00 0.61 H new ATOM 0 HD2 ARG A 55 5.856 -2.123 8.073 1.00 0.85 H new ATOM 0 HD3 ARG A 55 6.750 -3.572 8.490 1.00 0.85 H new ATOM 0 HE ARG A 55 6.434 -3.130 10.814 1.00 1.35 H new ATOM 0 HH11 ARG A 55 4.832 -0.670 8.813 1.00 2.37 H new ATOM 0 HH12 ARG A 55 3.800 -0.118 10.137 1.00 2.37 H new ATOM 0 HH21 ARG A 55 5.094 -2.428 12.467 1.00 2.81 H new ATOM 0 HH22 ARG A 55 3.948 -1.110 12.196 1.00 2.81 H new ATOM 829 N TYR A 56 9.907 0.374 6.537 1.00 0.28 N ATOM 830 CA TYR A 56 10.891 -0.182 5.608 1.00 0.31 C ATOM 831 C TYR A 56 11.932 0.832 5.136 1.00 0.33 C ATOM 832 O TYR A 56 12.878 0.475 4.445 1.00 0.43 O ATOM 833 CB TYR A 56 10.197 -0.870 4.432 1.00 0.34 C ATOM 834 CG TYR A 56 9.309 -2.027 4.856 1.00 0.41 C ATOM 835 CD1 TYR A 56 9.857 -3.179 5.402 1.00 0.53 C ATOM 836 CD2 TYR A 56 7.929 -1.962 4.725 1.00 0.45 C ATOM 837 CE1 TYR A 56 9.059 -4.235 5.799 1.00 0.64 C ATOM 838 CE2 TYR A 56 7.124 -3.016 5.122 1.00 0.57 C ATOM 839 CZ TYR A 56 7.697 -4.154 5.657 1.00 0.66 C ATOM 840 OH TYR A 56 6.899 -5.209 6.061 1.00 0.80 O ATOM 0 H TYR A 56 9.164 0.921 6.102 1.00 0.28 H new ATOM 0 HA TYR A 56 11.452 -0.931 6.167 1.00 0.31 H new ATOM 0 HB2 TYR A 56 9.596 -0.137 3.894 1.00 0.34 H new ATOM 0 HB3 TYR A 56 10.952 -1.236 3.736 1.00 0.34 H new ATOM 0 HD1 TYR A 56 10.928 -3.252 5.519 1.00 0.53 H new ATOM 0 HD2 TYR A 56 7.476 -1.075 4.307 1.00 0.45 H new ATOM 0 HE1 TYR A 56 9.507 -5.123 6.220 1.00 0.64 H new ATOM 0 HE2 TYR A 56 6.052 -2.949 5.014 1.00 0.57 H new ATOM 0 HH TYR A 56 6.835 -5.867 5.337 1.00 0.80 H new ATOM 850 N GLY A 57 11.761 2.083 5.510 1.00 0.31 N ATOM 851 CA GLY A 57 12.739 3.103 5.153 1.00 0.38 C ATOM 852 C GLY A 57 12.493 3.725 3.786 1.00 0.38 C ATOM 853 O GLY A 57 13.428 4.169 3.123 1.00 0.53 O ATOM 0 H GLY A 57 10.967 2.420 6.054 1.00 0.31 H new ATOM 0 HA2 GLY A 57 12.726 3.888 5.909 1.00 0.38 H new ATOM 0 HA3 GLY A 57 13.735 2.662 5.169 1.00 0.38 H new ATOM 857 N VAL A 58 11.245 3.771 3.374 1.00 0.37 N ATOM 858 CA VAL A 58 10.883 4.339 2.077 1.00 0.37 C ATOM 859 C VAL A 58 10.240 5.700 2.265 1.00 0.34 C ATOM 860 O VAL A 58 10.056 6.144 3.396 1.00 0.33 O ATOM 861 CB VAL A 58 9.923 3.424 1.240 1.00 0.38 C ATOM 862 CG1 VAL A 58 10.460 2.038 1.154 1.00 0.45 C ATOM 863 CG2 VAL A 58 8.506 3.392 1.794 1.00 0.33 C ATOM 0 H VAL A 58 10.454 3.422 3.916 1.00 0.37 H new ATOM 0 HA VAL A 58 11.812 4.427 1.514 1.00 0.37 H new ATOM 0 HB VAL A 58 9.874 3.861 0.243 1.00 0.38 H new ATOM 0 HG11 VAL A 58 9.779 1.420 0.569 1.00 0.45 H new ATOM 0 HG12 VAL A 58 11.438 2.056 0.673 1.00 0.45 H new ATOM 0 HG13 VAL A 58 10.557 1.622 2.157 1.00 0.45 H new ATOM 0 HG21 VAL A 58 7.888 2.743 1.174 1.00 0.33 H new ATOM 0 HG22 VAL A 58 8.523 3.010 2.815 1.00 0.33 H new ATOM 0 HG23 VAL A 58 8.091 4.400 1.791 1.00 0.33 H new ATOM 873 N SER A 59 9.916 6.364 1.186 1.00 0.37 N ATOM 874 CA SER A 59 9.155 7.562 1.267 1.00 0.41 C ATOM 875 C SER A 59 8.250 7.624 0.057 1.00 0.38 C ATOM 876 O SER A 59 8.675 7.286 -1.050 1.00 0.47 O ATOM 877 CB SER A 59 10.039 8.806 1.369 1.00 0.56 C ATOM 878 OG SER A 59 9.260 9.926 1.806 1.00 1.54 O ATOM 0 H SER A 59 10.174 6.085 0.239 1.00 0.37 H new ATOM 0 HA SER A 59 8.560 7.549 2.180 1.00 0.41 H new ATOM 0 HB2 SER A 59 10.856 8.626 2.068 1.00 0.56 H new ATOM 0 HB3 SER A 59 10.490 9.022 0.401 1.00 0.56 H new ATOM 0 HG SER A 59 8.489 9.607 2.320 1.00 1.54 H new ATOM 884 N ILE A 60 7.005 7.996 0.266 1.00 0.31 N ATOM 885 CA ILE A 60 6.022 8.029 -0.803 1.00 0.31 C ATOM 886 C ILE A 60 5.355 9.398 -0.849 1.00 0.34 C ATOM 887 O ILE A 60 4.740 9.826 0.136 1.00 0.40 O ATOM 888 CB ILE A 60 4.926 6.926 -0.619 1.00 0.33 C ATOM 889 CG1 ILE A 60 5.551 5.517 -0.588 1.00 0.47 C ATOM 890 CG2 ILE A 60 3.854 7.011 -1.716 1.00 0.35 C ATOM 891 CD1 ILE A 60 6.300 5.130 -1.853 1.00 0.59 C ATOM 0 H ILE A 60 6.644 8.283 1.176 1.00 0.31 H new ATOM 0 HA ILE A 60 6.546 7.834 -1.739 1.00 0.31 H new ATOM 0 HB ILE A 60 4.444 7.108 0.341 1.00 0.33 H new ATOM 0 HG12 ILE A 60 6.236 5.456 0.257 1.00 0.47 H new ATOM 0 HG13 ILE A 60 4.761 4.787 -0.411 1.00 0.47 H new ATOM 0 HG21 ILE A 60 3.109 6.231 -1.558 1.00 0.35 H new ATOM 0 HG22 ILE A 60 3.371 7.987 -1.678 1.00 0.35 H new ATOM 0 HG23 ILE A 60 4.320 6.875 -2.692 1.00 0.35 H new ATOM 0 HD11 ILE A 60 6.706 4.124 -1.742 1.00 0.59 H new ATOM 0 HD12 ILE A 60 5.617 5.154 -2.702 1.00 0.59 H new ATOM 0 HD13 ILE A 60 7.115 5.834 -2.023 1.00 0.59 H new ATOM 903 N PRO A 61 5.495 10.110 -1.978 1.00 0.37 N ATOM 904 CA PRO A 61 4.894 11.428 -2.170 1.00 0.45 C ATOM 905 C PRO A 61 3.358 11.386 -2.142 1.00 0.41 C ATOM 906 O PRO A 61 2.720 10.445 -2.665 1.00 0.35 O ATOM 907 CB PRO A 61 5.411 11.877 -3.542 1.00 0.54 C ATOM 908 CG PRO A 61 6.588 11.004 -3.814 1.00 0.56 C ATOM 909 CD PRO A 61 6.277 9.698 -3.155 1.00 0.43 C ATOM 0 HA PRO A 61 5.164 12.114 -1.367 1.00 0.45 H new ATOM 0 HB2 PRO A 61 4.646 11.760 -4.310 1.00 0.54 H new ATOM 0 HB3 PRO A 61 5.694 12.930 -3.532 1.00 0.54 H new ATOM 0 HG2 PRO A 61 6.743 10.876 -4.885 1.00 0.56 H new ATOM 0 HG3 PRO A 61 7.502 11.440 -3.410 1.00 0.56 H new ATOM 0 HD2 PRO A 61 5.707 9.039 -3.810 1.00 0.43 H new ATOM 0 HD3 PRO A 61 7.182 9.161 -2.872 1.00 0.43 H new ATOM 917 N ASP A 62 2.806 12.425 -1.562 1.00 0.51 N ATOM 918 CA ASP A 62 1.368 12.613 -1.304 1.00 0.55 C ATOM 919 C ASP A 62 0.499 12.444 -2.553 1.00 0.45 C ATOM 920 O ASP A 62 -0.428 11.623 -2.583 1.00 0.46 O ATOM 921 CB ASP A 62 1.177 14.020 -0.737 1.00 0.77 C ATOM 922 CG ASP A 62 -0.255 14.384 -0.445 1.00 1.28 C ATOM 923 OD1 ASP A 62 -0.944 14.928 -1.346 1.00 1.64 O ATOM 924 OD2 ASP A 62 -0.683 14.206 0.700 1.00 1.99 O ATOM 0 H ASP A 62 3.364 13.213 -1.234 1.00 0.51 H new ATOM 0 HA ASP A 62 1.047 11.842 -0.603 1.00 0.55 H new ATOM 0 HB2 ASP A 62 1.757 14.110 0.182 1.00 0.77 H new ATOM 0 HB3 ASP A 62 1.586 14.742 -1.444 1.00 0.77 H new ATOM 929 N ASP A 63 0.857 13.152 -3.602 1.00 0.44 N ATOM 930 CA ASP A 63 0.046 13.211 -4.821 1.00 0.45 C ATOM 931 C ASP A 63 0.132 11.923 -5.604 1.00 0.40 C ATOM 932 O ASP A 63 -0.717 11.639 -6.433 1.00 0.48 O ATOM 933 CB ASP A 63 0.467 14.387 -5.719 1.00 0.58 C ATOM 934 CG ASP A 63 0.283 15.744 -5.075 1.00 1.37 C ATOM 935 OD1 ASP A 63 -0.818 16.309 -5.153 1.00 1.66 O ATOM 936 OD2 ASP A 63 1.238 16.274 -4.463 1.00 2.18 O ATOM 0 H ASP A 63 1.713 13.705 -3.644 1.00 0.44 H new ATOM 0 HA ASP A 63 -0.986 13.362 -4.505 1.00 0.45 H new ATOM 0 HB2 ASP A 63 1.515 14.265 -5.994 1.00 0.58 H new ATOM 0 HB3 ASP A 63 -0.111 14.352 -6.642 1.00 0.58 H new ATOM 941 N VAL A 64 1.163 11.158 -5.340 1.00 0.34 N ATOM 942 CA VAL A 64 1.374 9.865 -5.980 1.00 0.37 C ATOM 943 C VAL A 64 0.458 8.844 -5.337 1.00 0.36 C ATOM 944 O VAL A 64 -0.195 8.052 -6.027 1.00 0.43 O ATOM 945 CB VAL A 64 2.839 9.422 -5.814 1.00 0.45 C ATOM 946 CG1 VAL A 64 3.091 8.112 -6.534 1.00 0.57 C ATOM 947 CG2 VAL A 64 3.784 10.490 -6.330 1.00 0.50 C ATOM 0 H VAL A 64 1.890 11.410 -4.671 1.00 0.34 H new ATOM 0 HA VAL A 64 1.152 9.947 -7.044 1.00 0.37 H new ATOM 0 HB VAL A 64 3.026 9.275 -4.750 1.00 0.45 H new ATOM 0 HG11 VAL A 64 4.133 7.819 -6.403 1.00 0.57 H new ATOM 0 HG12 VAL A 64 2.442 7.339 -6.122 1.00 0.57 H new ATOM 0 HG13 VAL A 64 2.880 8.234 -7.596 1.00 0.57 H new ATOM 0 HG21 VAL A 64 4.814 10.157 -6.203 1.00 0.50 H new ATOM 0 HG22 VAL A 64 3.588 10.669 -7.387 1.00 0.50 H new ATOM 0 HG23 VAL A 64 3.630 11.413 -5.771 1.00 0.50 H new ATOM 957 N ALA A 65 0.435 8.853 -4.016 1.00 0.35 N ATOM 958 CA ALA A 65 -0.432 7.974 -3.259 1.00 0.39 C ATOM 959 C ALA A 65 -1.888 8.217 -3.654 1.00 0.41 C ATOM 960 O ALA A 65 -2.636 7.287 -3.885 1.00 0.45 O ATOM 961 CB ALA A 65 -0.226 8.180 -1.772 1.00 0.44 C ATOM 0 H ALA A 65 1.014 9.467 -3.443 1.00 0.35 H new ATOM 0 HA ALA A 65 -0.181 6.938 -3.489 1.00 0.39 H new ATOM 0 HB1 ALA A 65 -0.885 7.512 -1.217 1.00 0.44 H new ATOM 0 HB2 ALA A 65 0.811 7.963 -1.515 1.00 0.44 H new ATOM 0 HB3 ALA A 65 -0.455 9.214 -1.513 1.00 0.44 H new ATOM 967 N GLY A 66 -2.250 9.474 -3.815 1.00 0.47 N ATOM 968 CA GLY A 66 -3.597 9.806 -4.227 1.00 0.55 C ATOM 969 C GLY A 66 -3.713 9.879 -5.742 1.00 0.58 C ATOM 970 O GLY A 66 -4.380 10.760 -6.276 1.00 0.81 O ATOM 0 H GLY A 66 -1.636 10.275 -3.668 1.00 0.47 H new ATOM 0 HA2 GLY A 66 -4.291 9.058 -3.843 1.00 0.55 H new ATOM 0 HA3 GLY A 66 -3.887 10.763 -3.792 1.00 0.55 H new ATOM 974 N ARG A 67 -3.054 8.957 -6.425 1.00 0.54 N ATOM 975 CA ARG A 67 -3.026 8.909 -7.892 1.00 0.61 C ATOM 976 C ARG A 67 -3.134 7.469 -8.374 1.00 0.52 C ATOM 977 O ARG A 67 -3.801 7.182 -9.377 1.00 0.59 O ATOM 978 CB ARG A 67 -1.715 9.505 -8.407 1.00 0.75 C ATOM 979 CG ARG A 67 -1.567 9.535 -9.917 1.00 1.32 C ATOM 980 CD ARG A 67 -0.187 10.037 -10.317 1.00 1.55 C ATOM 981 NE ARG A 67 0.084 11.389 -9.803 1.00 1.97 N ATOM 982 CZ ARG A 67 1.297 11.854 -9.438 1.00 2.53 C ATOM 983 NH1 ARG A 67 2.378 11.074 -9.521 1.00 2.73 N ATOM 984 NH2 ARG A 67 1.419 13.097 -8.995 1.00 3.33 N ATOM 0 H ARG A 67 -2.517 8.212 -5.981 1.00 0.54 H new ATOM 0 HA ARG A 67 -3.870 9.485 -8.272 1.00 0.61 H new ATOM 0 HB2 ARG A 67 -1.624 10.523 -8.029 1.00 0.75 H new ATOM 0 HB3 ARG A 67 -0.886 8.935 -7.988 1.00 0.75 H new ATOM 0 HG2 ARG A 67 -1.726 8.536 -10.322 1.00 1.32 H new ATOM 0 HG3 ARG A 67 -2.332 10.180 -10.349 1.00 1.32 H new ATOM 0 HD2 ARG A 67 0.571 9.349 -9.942 1.00 1.55 H new ATOM 0 HD3 ARG A 67 -0.104 10.040 -11.404 1.00 1.55 H new ATOM 0 HE ARG A 67 -0.708 12.025 -9.716 1.00 1.97 H new ATOM 0 HH11 ARG A 67 2.291 10.117 -9.863 1.00 2.73 H new ATOM 0 HH12 ARG A 67 3.290 11.435 -9.243 1.00 2.73 H new ATOM 0 HH21 ARG A 67 0.598 13.698 -8.931 1.00 3.33 H new ATOM 0 HH22 ARG A 67 2.334 13.452 -8.718 1.00 3.33 H new ATOM 998 N VAL A 68 -2.525 6.568 -7.625 1.00 0.43 N ATOM 999 CA VAL A 68 -2.464 5.165 -7.993 1.00 0.39 C ATOM 1000 C VAL A 68 -3.821 4.499 -7.834 1.00 0.35 C ATOM 1001 O VAL A 68 -4.571 4.780 -6.897 1.00 0.45 O ATOM 1002 CB VAL A 68 -1.368 4.412 -7.184 1.00 0.39 C ATOM 1003 CG1 VAL A 68 0.010 4.816 -7.680 1.00 0.44 C ATOM 1004 CG2 VAL A 68 -1.470 4.739 -5.700 1.00 0.36 C ATOM 0 H VAL A 68 -2.059 6.788 -6.745 1.00 0.43 H new ATOM 0 HA VAL A 68 -2.187 5.112 -9.046 1.00 0.39 H new ATOM 0 HB VAL A 68 -1.519 3.342 -7.326 1.00 0.39 H new ATOM 0 HG11 VAL A 68 0.772 4.285 -7.109 1.00 0.44 H new ATOM 0 HG12 VAL A 68 0.105 4.563 -8.736 1.00 0.44 H new ATOM 0 HG13 VAL A 68 0.143 5.890 -7.551 1.00 0.44 H new ATOM 0 HG21 VAL A 68 -0.694 4.201 -5.155 1.00 0.36 H new ATOM 0 HG22 VAL A 68 -1.340 5.811 -5.554 1.00 0.36 H new ATOM 0 HG23 VAL A 68 -2.449 4.439 -5.328 1.00 0.36 H new ATOM 1014 N ASP A 69 -4.156 3.676 -8.792 1.00 0.33 N ATOM 1015 CA ASP A 69 -5.480 3.077 -8.886 1.00 0.41 C ATOM 1016 C ASP A 69 -5.509 1.746 -8.203 1.00 0.28 C ATOM 1017 O ASP A 69 -6.446 1.416 -7.470 1.00 0.33 O ATOM 1018 CB ASP A 69 -5.867 2.859 -10.359 1.00 0.62 C ATOM 1019 CG ASP A 69 -5.864 4.116 -11.186 1.00 1.36 C ATOM 1020 OD1 ASP A 69 -4.807 4.467 -11.767 1.00 2.11 O ATOM 1021 OD2 ASP A 69 -6.909 4.768 -11.284 1.00 1.76 O ATOM 0 H ASP A 69 -3.521 3.394 -9.539 1.00 0.33 H new ATOM 0 HA ASP A 69 -6.182 3.759 -8.406 1.00 0.41 H new ATOM 0 HB2 ASP A 69 -5.176 2.143 -10.803 1.00 0.62 H new ATOM 0 HB3 ASP A 69 -6.860 2.412 -10.401 1.00 0.62 H new ATOM 1026 N THR A 70 -4.495 0.984 -8.453 1.00 0.30 N ATOM 1027 CA THR A 70 -4.407 -0.364 -7.987 1.00 0.27 C ATOM 1028 C THR A 70 -3.234 -0.546 -7.014 1.00 0.24 C ATOM 1029 O THR A 70 -2.215 0.160 -7.114 1.00 0.25 O ATOM 1030 CB THR A 70 -4.271 -1.322 -9.191 1.00 0.34 C ATOM 1031 OG1 THR A 70 -3.217 -0.865 -10.070 1.00 0.44 O ATOM 1032 CG2 THR A 70 -5.578 -1.400 -9.970 1.00 0.36 C ATOM 0 H THR A 70 -3.687 1.286 -8.998 1.00 0.30 H new ATOM 0 HA THR A 70 -5.321 -0.600 -7.442 1.00 0.27 H new ATOM 0 HB THR A 70 -4.027 -2.314 -8.810 1.00 0.34 H new ATOM 0 HG1 THR A 70 -2.947 0.042 -9.814 1.00 0.44 H new ATOM 0 HG21 THR A 70 -5.459 -2.080 -10.813 1.00 0.36 H new ATOM 0 HG22 THR A 70 -6.370 -1.767 -9.317 1.00 0.36 H new ATOM 0 HG23 THR A 70 -5.842 -0.409 -10.338 1.00 0.36 H new ATOM 1040 N PRO A 71 -3.350 -1.506 -6.062 1.00 0.22 N ATOM 1041 CA PRO A 71 -2.322 -1.777 -5.054 1.00 0.22 C ATOM 1042 C PRO A 71 -0.994 -2.161 -5.682 1.00 0.22 C ATOM 1043 O PRO A 71 0.059 -1.942 -5.089 1.00 0.23 O ATOM 1044 CB PRO A 71 -2.897 -2.953 -4.253 1.00 0.26 C ATOM 1045 CG PRO A 71 -4.355 -2.892 -4.495 1.00 0.23 C ATOM 1046 CD PRO A 71 -4.506 -2.391 -5.891 1.00 0.23 C ATOM 0 HA PRO A 71 -2.110 -0.899 -4.444 1.00 0.22 H new ATOM 0 HB2 PRO A 71 -2.479 -3.902 -4.588 1.00 0.26 H new ATOM 0 HB3 PRO A 71 -2.667 -2.860 -3.192 1.00 0.26 H new ATOM 0 HG2 PRO A 71 -4.814 -3.874 -4.379 1.00 0.23 H new ATOM 0 HG3 PRO A 71 -4.843 -2.226 -3.784 1.00 0.23 H new ATOM 0 HD2 PRO A 71 -4.498 -3.207 -6.614 1.00 0.23 H new ATOM 0 HD3 PRO A 71 -5.446 -1.855 -6.026 1.00 0.23 H new ATOM 1054 N ARG A 72 -1.065 -2.730 -6.893 1.00 0.24 N ATOM 1055 CA ARG A 72 0.114 -3.113 -7.674 1.00 0.28 C ATOM 1056 C ARG A 72 1.093 -1.936 -7.749 1.00 0.27 C ATOM 1057 O ARG A 72 2.283 -2.060 -7.436 1.00 0.32 O ATOM 1058 CB ARG A 72 -0.305 -3.465 -9.103 1.00 0.40 C ATOM 1059 CG ARG A 72 0.836 -3.977 -9.954 1.00 0.70 C ATOM 1060 CD ARG A 72 0.553 -3.833 -11.436 1.00 0.74 C ATOM 1061 NE ARG A 72 -0.650 -4.546 -11.903 1.00 1.18 N ATOM 1062 CZ ARG A 72 -0.762 -5.066 -13.136 1.00 1.71 C ATOM 1063 NH1 ARG A 72 0.303 -5.131 -13.925 1.00 1.88 N ATOM 1064 NH2 ARG A 72 -1.921 -5.544 -13.569 1.00 2.72 N ATOM 0 H ARG A 72 -1.948 -2.938 -7.359 1.00 0.24 H new ATOM 0 HA ARG A 72 0.585 -3.970 -7.192 1.00 0.28 H new ATOM 0 HB2 ARG A 72 -1.090 -4.220 -9.068 1.00 0.40 H new ATOM 0 HB3 ARG A 72 -0.734 -2.582 -9.576 1.00 0.40 H new ATOM 0 HG2 ARG A 72 1.746 -3.432 -9.705 1.00 0.70 H new ATOM 0 HG3 ARG A 72 1.019 -5.026 -9.721 1.00 0.70 H new ATOM 0 HD2 ARG A 72 0.446 -2.774 -11.671 1.00 0.74 H new ATOM 0 HD3 ARG A 72 1.415 -4.198 -11.994 1.00 0.74 H new ATOM 0 HE ARG A 72 -1.434 -4.649 -11.259 1.00 1.18 H new ATOM 0 HH11 ARG A 72 1.204 -4.786 -13.595 1.00 1.88 H new ATOM 0 HH12 ARG A 72 0.220 -5.526 -14.862 1.00 1.88 H new ATOM 0 HH21 ARG A 72 -2.741 -5.519 -12.963 1.00 2.72 H new ATOM 0 HH22 ARG A 72 -1.992 -5.936 -14.508 1.00 2.72 H new ATOM 1078 N GLU A 73 0.542 -0.799 -8.132 1.00 0.24 N ATOM 1079 CA GLU A 73 1.270 0.436 -8.334 1.00 0.26 C ATOM 1080 C GLU A 73 1.857 0.945 -7.027 1.00 0.25 C ATOM 1081 O GLU A 73 2.997 1.367 -6.982 1.00 0.32 O ATOM 1082 CB GLU A 73 0.319 1.455 -8.921 1.00 0.33 C ATOM 1083 CG GLU A 73 -0.317 0.989 -10.210 1.00 0.50 C ATOM 1084 CD GLU A 73 -1.448 1.862 -10.639 1.00 1.41 C ATOM 1085 OE1 GLU A 73 -2.537 1.734 -10.073 1.00 2.21 O ATOM 1086 OE2 GLU A 73 -1.288 2.661 -11.566 1.00 1.82 O ATOM 0 H GLU A 73 -0.457 -0.709 -8.317 1.00 0.24 H new ATOM 0 HA GLU A 73 2.102 0.262 -9.016 1.00 0.26 H new ATOM 0 HB2 GLU A 73 -0.463 1.676 -8.195 1.00 0.33 H new ATOM 0 HB3 GLU A 73 0.857 2.385 -9.103 1.00 0.33 H new ATOM 0 HG2 GLU A 73 0.438 0.966 -10.996 1.00 0.50 H new ATOM 0 HG3 GLU A 73 -0.678 -0.032 -10.085 1.00 0.50 H new ATOM 1093 N LEU A 74 1.085 0.834 -5.960 1.00 0.23 N ATOM 1094 CA LEU A 74 1.508 1.310 -4.648 1.00 0.26 C ATOM 1095 C LEU A 74 2.664 0.428 -4.154 1.00 0.25 C ATOM 1096 O LEU A 74 3.665 0.932 -3.643 1.00 0.28 O ATOM 1097 CB LEU A 74 0.285 1.299 -3.678 1.00 0.28 C ATOM 1098 CG LEU A 74 0.406 1.982 -2.275 1.00 0.31 C ATOM 1099 CD1 LEU A 74 1.326 1.236 -1.318 1.00 1.01 C ATOM 1100 CD2 LEU A 74 0.841 3.434 -2.413 1.00 1.11 C ATOM 0 H LEU A 74 0.155 0.416 -5.974 1.00 0.23 H new ATOM 0 HA LEU A 74 1.871 2.337 -4.697 1.00 0.26 H new ATOM 0 HB2 LEU A 74 -0.549 1.769 -4.199 1.00 0.28 H new ATOM 0 HB3 LEU A 74 0.010 0.257 -3.511 1.00 0.28 H new ATOM 0 HG LEU A 74 -0.591 1.948 -1.835 1.00 0.31 H new ATOM 0 HD11 LEU A 74 1.364 1.763 -0.365 1.00 1.01 H new ATOM 0 HD12 LEU A 74 0.945 0.227 -1.159 1.00 1.01 H new ATOM 0 HD13 LEU A 74 2.328 1.183 -1.744 1.00 1.01 H new ATOM 0 HD21 LEU A 74 0.918 3.886 -1.424 1.00 1.11 H new ATOM 0 HD22 LEU A 74 1.811 3.478 -2.908 1.00 1.11 H new ATOM 0 HD23 LEU A 74 0.106 3.979 -3.005 1.00 1.11 H new ATOM 1112 N LEU A 75 2.521 -0.878 -4.339 1.00 0.24 N ATOM 1113 CA LEU A 75 3.567 -1.840 -3.997 1.00 0.28 C ATOM 1114 C LEU A 75 4.853 -1.525 -4.765 1.00 0.28 C ATOM 1115 O LEU A 75 5.956 -1.562 -4.207 1.00 0.30 O ATOM 1116 CB LEU A 75 3.105 -3.269 -4.313 1.00 0.32 C ATOM 1117 CG LEU A 75 4.072 -4.399 -3.936 1.00 0.39 C ATOM 1118 CD1 LEU A 75 4.325 -4.414 -2.436 1.00 0.46 C ATOM 1119 CD2 LEU A 75 3.531 -5.743 -4.400 1.00 0.48 C ATOM 0 H LEU A 75 1.679 -1.302 -4.729 1.00 0.24 H new ATOM 0 HA LEU A 75 3.767 -1.764 -2.928 1.00 0.28 H new ATOM 0 HB2 LEU A 75 2.159 -3.443 -3.800 1.00 0.32 H new ATOM 0 HB3 LEU A 75 2.904 -3.334 -5.382 1.00 0.32 H new ATOM 0 HG LEU A 75 5.021 -4.217 -4.440 1.00 0.39 H new ATOM 0 HD11 LEU A 75 5.013 -5.223 -2.191 1.00 0.46 H new ATOM 0 HD12 LEU A 75 4.760 -3.462 -2.131 1.00 0.46 H new ATOM 0 HD13 LEU A 75 3.383 -4.567 -1.910 1.00 0.46 H new ATOM 0 HD21 LEU A 75 4.231 -6.532 -4.124 1.00 0.48 H new ATOM 0 HD22 LEU A 75 2.567 -5.930 -3.927 1.00 0.48 H new ATOM 0 HD23 LEU A 75 3.407 -5.731 -5.483 1.00 0.48 H new ATOM 1131 N ASP A 76 4.692 -1.171 -6.033 1.00 0.28 N ATOM 1132 CA ASP A 76 5.824 -0.866 -6.906 1.00 0.33 C ATOM 1133 C ASP A 76 6.505 0.431 -6.485 1.00 0.30 C ATOM 1134 O ASP A 76 7.720 0.569 -6.617 1.00 0.32 O ATOM 1135 CB ASP A 76 5.392 -0.799 -8.373 1.00 0.43 C ATOM 1136 CG ASP A 76 6.560 -0.612 -9.319 1.00 0.58 C ATOM 1137 OD1 ASP A 76 7.315 -1.567 -9.558 1.00 0.72 O ATOM 1138 OD2 ASP A 76 6.766 0.514 -9.817 1.00 0.68 O ATOM 0 H ASP A 76 3.782 -1.087 -6.485 1.00 0.28 H new ATOM 0 HA ASP A 76 6.545 -1.677 -6.806 1.00 0.33 H new ATOM 0 HB2 ASP A 76 4.862 -1.715 -8.633 1.00 0.43 H new ATOM 0 HB3 ASP A 76 4.689 0.024 -8.503 1.00 0.43 H new ATOM 1143 N LEU A 77 5.716 1.370 -5.963 1.00 0.29 N ATOM 1144 CA LEU A 77 6.243 2.628 -5.421 1.00 0.30 C ATOM 1145 C LEU A 77 7.168 2.327 -4.251 1.00 0.28 C ATOM 1146 O LEU A 77 8.273 2.886 -4.145 1.00 0.35 O ATOM 1147 CB LEU A 77 5.102 3.528 -4.917 1.00 0.35 C ATOM 1148 CG LEU A 77 4.096 4.031 -5.946 1.00 0.41 C ATOM 1149 CD1 LEU A 77 2.966 4.759 -5.246 1.00 0.49 C ATOM 1150 CD2 LEU A 77 4.770 4.953 -6.942 1.00 0.45 C ATOM 0 H LEU A 77 4.701 1.284 -5.903 1.00 0.29 H new ATOM 0 HA LEU A 77 6.782 3.142 -6.217 1.00 0.30 H new ATOM 0 HB2 LEU A 77 4.554 2.979 -4.151 1.00 0.35 H new ATOM 0 HB3 LEU A 77 5.548 4.395 -4.430 1.00 0.35 H new ATOM 0 HG LEU A 77 3.691 3.176 -6.487 1.00 0.41 H new ATOM 0 HD11 LEU A 77 2.250 5.116 -5.986 1.00 0.49 H new ATOM 0 HD12 LEU A 77 2.466 4.078 -4.557 1.00 0.49 H new ATOM 0 HD13 LEU A 77 3.368 5.607 -4.691 1.00 0.49 H new ATOM 0 HD21 LEU A 77 4.036 5.302 -7.669 1.00 0.45 H new ATOM 0 HD22 LEU A 77 5.195 5.808 -6.416 1.00 0.45 H new ATOM 0 HD23 LEU A 77 5.564 4.413 -7.458 1.00 0.45 H new ATOM 1162 N ILE A 78 6.710 1.432 -3.385 1.00 0.27 N ATOM 1163 CA ILE A 78 7.466 1.012 -2.219 1.00 0.29 C ATOM 1164 C ILE A 78 8.725 0.284 -2.675 1.00 0.30 C ATOM 1165 O ILE A 78 9.827 0.653 -2.304 1.00 0.31 O ATOM 1166 CB ILE A 78 6.639 0.049 -1.320 1.00 0.30 C ATOM 1167 CG1 ILE A 78 5.295 0.677 -0.909 1.00 0.31 C ATOM 1168 CG2 ILE A 78 7.442 -0.339 -0.080 1.00 0.38 C ATOM 1169 CD1 ILE A 78 5.410 1.950 -0.096 1.00 0.38 C ATOM 0 H ILE A 78 5.801 0.978 -3.474 1.00 0.27 H new ATOM 0 HA ILE A 78 7.715 1.902 -1.641 1.00 0.29 H new ATOM 0 HB ILE A 78 6.425 -0.848 -1.901 1.00 0.30 H new ATOM 0 HG12 ILE A 78 4.719 0.889 -1.810 1.00 0.31 H new ATOM 0 HG13 ILE A 78 4.729 -0.055 -0.333 1.00 0.31 H new ATOM 0 HG21 ILE A 78 6.851 -1.013 0.540 1.00 0.38 H new ATOM 0 HG22 ILE A 78 8.362 -0.838 -0.384 1.00 0.38 H new ATOM 0 HG23 ILE A 78 7.687 0.557 0.490 1.00 0.38 H new ATOM 0 HD11 ILE A 78 4.413 2.318 0.146 1.00 0.38 H new ATOM 0 HD12 ILE A 78 5.955 1.745 0.825 1.00 0.38 H new ATOM 0 HD13 ILE A 78 5.945 2.704 -0.674 1.00 0.38 H new ATOM 1181 N ASN A 79 8.542 -0.749 -3.483 1.00 0.34 N ATOM 1182 CA ASN A 79 9.656 -1.570 -3.981 1.00 0.41 C ATOM 1183 C ASN A 79 10.682 -0.772 -4.760 1.00 0.38 C ATOM 1184 O ASN A 79 11.885 -1.030 -4.653 1.00 0.42 O ATOM 1185 CB ASN A 79 9.173 -2.800 -4.770 1.00 0.53 C ATOM 1186 CG ASN A 79 8.593 -3.851 -3.851 1.00 0.50 C ATOM 1187 OD1 ASN A 79 8.974 -3.928 -2.700 1.00 1.18 O ATOM 1188 ND2 ASN A 79 7.696 -4.674 -4.339 1.00 0.63 N ATOM 0 H ASN A 79 7.625 -1.048 -3.816 1.00 0.34 H new ATOM 0 HA ASN A 79 10.166 -1.939 -3.091 1.00 0.41 H new ATOM 0 HB2 ASN A 79 8.421 -2.495 -5.497 1.00 0.53 H new ATOM 0 HB3 ASN A 79 10.006 -3.224 -5.331 1.00 0.53 H new ATOM 0 HD21 ASN A 79 7.298 -5.404 -3.748 1.00 0.63 H new ATOM 0 HD22 ASN A 79 7.396 -4.584 -5.310 1.00 0.63 H new ATOM 1195 N GLY A 80 10.219 0.211 -5.511 1.00 0.38 N ATOM 1196 CA GLY A 80 11.122 1.089 -6.227 1.00 0.42 C ATOM 1197 C GLY A 80 11.996 1.864 -5.265 1.00 0.38 C ATOM 1198 O GLY A 80 13.211 1.997 -5.475 1.00 0.46 O ATOM 0 H GLY A 80 9.229 0.419 -5.640 1.00 0.38 H new ATOM 0 HA2 GLY A 80 11.747 0.503 -6.901 1.00 0.42 H new ATOM 0 HA3 GLY A 80 10.550 1.782 -6.844 1.00 0.42 H new ATOM 1202 N ALA A 81 11.383 2.320 -4.177 1.00 0.31 N ATOM 1203 CA ALA A 81 12.084 3.053 -3.137 1.00 0.32 C ATOM 1204 C ALA A 81 13.005 2.123 -2.362 1.00 0.33 C ATOM 1205 O ALA A 81 14.104 2.506 -1.985 1.00 0.45 O ATOM 1206 CB ALA A 81 11.098 3.737 -2.201 1.00 0.33 C ATOM 0 H ALA A 81 10.388 2.190 -3.995 1.00 0.31 H new ATOM 0 HA ALA A 81 12.692 3.825 -3.610 1.00 0.32 H new ATOM 0 HB1 ALA A 81 11.645 4.280 -1.430 1.00 0.33 H new ATOM 0 HB2 ALA A 81 10.482 4.435 -2.768 1.00 0.33 H new ATOM 0 HB3 ALA A 81 10.460 2.987 -1.733 1.00 0.33 H new ATOM 1212 N LEU A 82 12.558 0.897 -2.141 1.00 0.29 N ATOM 1213 CA LEU A 82 13.363 -0.117 -1.465 1.00 0.36 C ATOM 1214 C LEU A 82 14.604 -0.454 -2.258 1.00 0.46 C ATOM 1215 O LEU A 82 15.667 -0.653 -1.691 1.00 0.61 O ATOM 1216 CB LEU A 82 12.562 -1.386 -1.174 1.00 0.42 C ATOM 1217 CG LEU A 82 11.514 -1.282 -0.075 1.00 0.55 C ATOM 1218 CD1 LEU A 82 10.760 -2.581 0.046 1.00 0.74 C ATOM 1219 CD2 LEU A 82 12.179 -0.955 1.247 1.00 0.67 C ATOM 0 H LEU A 82 11.632 0.574 -2.422 1.00 0.29 H new ATOM 0 HA LEU A 82 13.667 0.313 -0.510 1.00 0.36 H new ATOM 0 HB2 LEU A 82 12.065 -1.696 -2.093 1.00 0.42 H new ATOM 0 HB3 LEU A 82 13.261 -2.179 -0.907 1.00 0.42 H new ATOM 0 HG LEU A 82 10.815 -0.486 -0.332 1.00 0.55 H new ATOM 0 HD11 LEU A 82 10.013 -2.496 0.835 1.00 0.74 H new ATOM 0 HD12 LEU A 82 10.266 -2.804 -0.899 1.00 0.74 H new ATOM 0 HD13 LEU A 82 11.455 -3.384 0.290 1.00 0.74 H new ATOM 0 HD21 LEU A 82 11.421 -0.883 2.027 1.00 0.67 H new ATOM 0 HD22 LEU A 82 12.888 -1.742 1.502 1.00 0.67 H new ATOM 0 HD23 LEU A 82 12.706 -0.005 1.164 1.00 0.67 H new ATOM 1231 N ALA A 83 14.473 -0.518 -3.569 1.00 0.54 N ATOM 1232 CA ALA A 83 15.612 -0.767 -4.441 1.00 0.69 C ATOM 1233 C ALA A 83 16.630 0.377 -4.339 1.00 0.73 C ATOM 1234 O ALA A 83 17.840 0.165 -4.453 1.00 0.84 O ATOM 1235 CB ALA A 83 15.156 -0.974 -5.876 1.00 0.88 C ATOM 0 H ALA A 83 13.586 -0.401 -4.059 1.00 0.54 H new ATOM 0 HA ALA A 83 16.104 -1.683 -4.114 1.00 0.69 H new ATOM 0 HB1 ALA A 83 16.023 -1.158 -6.510 1.00 0.88 H new ATOM 0 HB2 ALA A 83 14.483 -1.830 -5.924 1.00 0.88 H new ATOM 0 HB3 ALA A 83 14.635 -0.082 -6.224 1.00 0.88 H new